Research Article Details
| Article ID: | A00170 |
| PMID: | 28215227 |
| Source: | Adv Protein Chem Struct Biol |
| Title: | Elucidating the Mutational Landscape in Hepatocyte Nuclear Factor 1β (HNF1B) by Computational Approach. |
| Abstract: | Transcription factors are the major gene-regulatory proteins that recognize specific nucleotide sequences and bind to them. Missense mutations in transcription factors play a significant role in misregulation of gene expression contributing to various diseases and disorders. Understanding their structural and functional impact of the disease-causing mutations becomes prime importance in treating a disease. Commonly associated defect with the mutations of hepatocyte nuclear factor 1 beta (HNF1B) protein, a transcription factor results in maturity-onset diabetes of the young-5 (MODY-5) leading to loss of function. In the study presented, we applied a series of computational strategies to analyze the effect of mutations on protein structure or function in protein-DNA complex. The mutations from publicly available databases were retrieved and subjected to an array of in silico prediction methods. Key implementation of the present study consists of a pipeline drawn using well established in silico prediction methods of different algorithms to explain the biochemical changes impaired upon mutations in the binding sites of protein-DNA complex using HNF1B. Prediction scores obtained from the in silico tools suggested H153N and A241T as the major nsSNPs involved in destabilizing the protein. Further, high-end microscopic computational study, such as molecular dynamics simulations was utilized to relate the structural and functional effects upon mutations. Although, both the mutations exhibited similar structural differences, we observed A241T with higher destabilizing effect on the protein. The presented work is a step toward understanding the genotype-phenotype relationships in transcription factor genes using fast and accurate computational approach. |
| DOI: | 10.1016/bs.apcsb.2016.11.005 |
| Strategy ID | Therapy Strategy | Synonyms | Therapy Targets | Therapy Drugs |
|---|
| Diseases ID | DO ID | Disease Name | Definition | Class | |
|---|---|---|---|---|---|
| I02 | 1184 | nephrotic syndrome | "A nephrosis characterized by marked increase in glomerular protein permeability resulting in marked elevation of urine protein levels, hypoalbuminemia, hyperlipidemia, and hypercoagulability." [url:https\://en.wikipedia.org/wiki/Nephrotic_syndrome, url:https\://www.niddk.nih.gov/health-information/kidney-disease/nephrotic-syndrome-adults] | Details |
| Drug ID | Drug Name | Type | DrugBank ID | Targets | Category | Latest Progress | |
|---|---|---|---|---|---|---|---|
| D001 | Leuprolide | small molecule | DB00007 | Details | |||
| D002 | Goserelin | small molecule | DB00014 | Details | |||
| D003 | Cetrorelix | small molecule | DB00050 | Details | |||
| D004 | Pyridoxal phosphate | small molecule | DB00114 | Details | |||
| D005 | Histidine | small molecule | DB00117 | Details | |||
| D006 | Phenylalanine | small molecule | DB00120 | Details | |||
| D007 | Biotin | small molecule | DB00121 | Details | |||
| D008 | Choline | small molecule | DB00122 | Details | |||
| D009 | L-Lysine | small molecule | DB00123 | Details | |||
| D010 | Arginine | small molecule | DB00125 | Details | |||
| D011 | Ascorbic acid | small molecule | DB00126 | Details | |||
| D012 | Aspartic acid | small molecule | DB00128 | Details | |||
| D013 | Ornithine | small molecule | DB00129 | Details | |||
| D014 | L-Glutamine | small molecule | DB00130 | Details | |||
| D015 | Serine | small molecule | DB00133 | Details | |||
| D016 | Methionine | small molecule | DB00134 | Details | |||
| D017 | Tyrosine | small molecule | DB00135 | Details | |||
| D018 | Calcitriol | small molecule | DB00136 | Details | |||
| D019 | Lutein | small molecule | DB00137 | Details | |||
| D020 | Riboflavin | small molecule | DB00140 | Details | |||
| D021 | Glutamic acid | small molecule | DB00142 | Details | |||
| D022 | Phosphatidyl serine | small molecule | DB00144 | Details | |||
| D023 | Glycine | small molecule | DB00145 | Details | |||
| D024 | Calcifediol | small molecule | DB00146 | Details | |||
| D025 | Pyridoxal | small molecule | DB00147 | Details | |||
| D026 | Creatine | small molecule | DB00148 | Details | |||
| D027 | Leucine | small molecule | DB00149 | Details | |||
| D028 | Tryptophan | small molecule | DB00150 | Details | |||
| D029 | Cysteine | small molecule | DB00151 | Details | |||
| D030 | Thiamine | small molecule | DB00152 | Details | |||
| D031 | Ergocalciferol | small molecule | DB00153 | Details | |||
| D032 | Threonine | small molecule | DB00156 | Details | |||
| D033 | Alanine | small molecule | DB00160 | Details | |||
| D034 | Valine | small molecule | DB00161 | Details | |||
| D035 | Vitamin A | small molecule | DB00162 | Details | |||
| D036 | Vitamin E | small molecule | DB00163 | Details | |||
| D037 | Pyridoxine | small molecule | DB00165 | Details | |||
| D038 | Isoleucine | small molecule | DB00167 | Details | |||
| D039 | Cholecalciferol | small molecule | DB00169 | Details | |||
| D040 | Menadione | small molecule | DB00170 | Details | |||
| D041 | Proline | small molecule | DB00172 | Details | |||
| D042 | Pravastatin | small molecule | DB00175 | Details | |||
| D043 | Valsartan | small molecule | DB00177 | Details | |||
| D044 | Ramipril | small molecule | DB00178 | Details | |||
| D045 | Esmolol | small molecule | DB00187 | Details | |||
| D046 | Bortezomib | small molecule | DB00188 | Details | |||
| D047 | Phentermine | small molecule | DB00191 | Details | |||
| D048 | Tramadol | small molecule | DB00193 | Details | |||
| D049 | Fluconazole | small molecule | DB00196 | Details | |||
| D050 | Troglitazone | small molecule | DB00197 | Details | |||
| D051 | Oseltamivir | small molecule | DB00198 | Details | |||
| D052 | Erythromycin | small molecule | DB00199 | Details | |||
| D053 | Caffeine | small molecule | DB00201 | Details | |||
| D054 | Reserpine | small molecule | DB00206 | Details | |||
| D055 | Azithromycin | small molecule | DB00207 | Details | |||
| D056 | Pantoprazole | small molecule | DB00213 | Details | |||
| D057 | Torasemide | small molecule | DB00214 | Details | |||
| D058 | Citalopram | small molecule | DB00215 | Details | |||
| D059 | Moxifloxacin | small molecule | DB00218 | Details | |||
| D060 | Indinavir | small molecule | DB00224 | Details | |||
| D061 | Lovastatin | small molecule | DB00227 | Details | |||
| D062 | Pregabalin | small molecule | DB00230 | Details | |||
| D063 | Nevirapine | small molecule | DB00238 | Details | |||
| D064 | Ranolazine | small molecule | DB00243 | Details | |||
| D065 | Ziprasidone | small molecule | DB00246 | Details | |||
| D066 | Doxycycline | small molecule | DB00254 | Details | |||
| D067 | Clotrimazole | small molecule | DB00257 | Details | |||
| D068 | Metoprolol | small molecule | DB00264 | Details | |||
| D069 | Ropinirole | small molecule | DB00268 | Details | |||
| D070 | Chlorotrianisene | small molecule | DB00269 | Details | |||
| D071 | Topiramate | small molecule | DB00273 | Details | |||
| D072 | Olmesartan | small molecule | DB00275 | Details | |||
| D073 | Theophylline | small molecule | DB00277 | Details | |||
| D074 | Lidocaine | small molecule | DB00281 | Details | |||
| D075 | Pamidronic acid | small molecule | DB00282 | Details | |||
| D076 | Chlorambucil | small molecule | DB00291 | Details | |||
| D077 | Morphine | small molecule | DB00295 | Details | |||
| D078 | Bupivacaine | small molecule | DB00297 | Details | |||
| D079 | Tranexamic acid | small molecule | DB00302 | Details | |||
| D080 | Ertapenem | small molecule | DB00303 | Details | |||
| D081 | Mitomycin | small molecule | DB00305 | Details | |||
| D082 | Chlorthalidone | small molecule | DB00310 | Details | |||
| D083 | Valproic acid | small molecule | DB00313 | Details | |||
| D084 | Acetaminophen | small molecule | DB00316 | Details | |||
| D085 | Piperacillin | small molecule | DB00319 | Details | |||
| D086 | Amitriptyline | small molecule | DB00321 | Details | |||
| D087 | Nitroprusside | small molecule | DB00325 | Details | |||
| D088 | Indomethacin | small molecule | DB00328 | Details | |||
| D089 | Metformin | small molecule | DB00331 | Details | |||
| D090 | Methadone | small molecule | DB00333 | Details | |||
| D091 | Olanzapine | small molecule | DB00334 | Details | |||
| D092 | Atenolol | small molecule | DB00335 | Details | |||
| D093 | Cetirizine | small molecule | DB00341 | Details | |||
| D094 | Diltiazem | small molecule | DB00343 | Details | |||
| D095 | Minoxidil | small molecule | DB00350 | Details | |||
| D096 | Chlorzoxazone | small molecule | DB00356 | Details | |||
| D097 | Clozapine | small molecule | DB00363 | Details | |||
| D098 | Levonorgestrel | small molecule | DB00367 | Details | |||
| D099 | Norepinephrine | small molecule | DB00368 | Details | |||
| D100 | Cidofovir | small molecule | DB00369 | Details | |||
| D101 | Mirtazapine | small molecule | DB00370 | Details | |||
| D102 | Treprostinil | small molecule | DB00374 | Details | |||
| D103 | Dydrogesterone | small molecule | DB00378 | Details | |||
| D104 | Amlodipine | small molecule | DB00381 | Details | |||
| D105 | Triamterene | small molecule | DB00384 | Details | |||
| D106 | Phenylephrine | small molecule | DB00388 | Details | |||
| D107 | Digoxin | small molecule | DB00390 | Details | |||
| D108 | Nimodipine | small molecule | DB00393 | Details | |||
| D109 | Progesterone | small molecule | DB00396 | Details | |||
| D110 | Sorafenib | small molecule | DB00398 | Details | |||
| D111 | Zoledronic acid | small molecule | DB00399 | Details | |||
| D112 | Eszopiclone | small molecule | DB00402 | Details | |||
| D113 | Alprazolam | small molecule | DB00404 | Details | |||
| D114 | Loxapine | small molecule | DB00408 | Details | |||
| D115 | Mupirocin | small molecule | DB00410 | Details | |||
| D116 | Rosiglitazone | small molecule | DB00412 | Details | |||
| D117 | Acetohexamide | small molecule | DB00414 | Details | |||
| D118 | Ampicillin | small molecule | DB00415 | Details | |||
| D119 | Spironolactone | small molecule | DB00421 | Details | |||
| D120 | Methocarbamol | small molecule | DB00423 | Details | |||
| D121 | Zolpidem | small molecule | DB00425 | Details | |||
| D122 | Nitric Oxide | small molecule | DB00435 | Details | |||
| D123 | Ceftazidime | small molecule | DB00438 | Details | |||
| D124 | Trimethoprim | small molecule | DB00440 | Details | |||
| D125 | Betamethasone | small molecule | DB00443 | Details | |||
| D126 | Lansoprazole | small molecule | DB00448 | Details | |||
| D127 | Loratadine | small molecule | DB00455 | Details | |||
| D128 | Imipramine | small molecule | DB00458 | Details | |||
| D129 | Dronabinol | small molecule | DB00470 | Details | |||
| D130 | Montelukast | small molecule | DB00471 | Details | |||
| D131 | Fluoxetine | small molecule | DB00472 | Details | |||
| D132 | Duloxetine | small molecule | DB00476 | Details | |||
| D133 | Chlorpromazine | small molecule | DB00477 | Details | |||
| D134 | Amikacin | small molecule | DB00479 | Details | |||
| D135 | Lenalidomide | small molecule | DB00480 | Details | |||
| D136 | Celecoxib | small molecule | DB00482 | Details | |||
| D137 | Altretamine | small molecule | DB00488 | Details | |||
| D138 | Miglitol | small molecule | DB00491 | Details | |||
| D139 | Cefotaxime | small molecule | DB00493 | Details | |||
| D140 | Zidovudine | small molecule | DB00495 | Details | |||
| D141 | Oxycodone | small molecule | DB00497 | Details | |||
| D142 | Cimetidine | small molecule | DB00501 | Details | |||
| D143 | Ritonavir | small molecule | DB00503 | Details | |||
| D144 | Nitazoxanide | small molecule | DB00507 | Details | |||
| D145 | Vancomycin | small molecule | DB00512 | Details | |||
| D146 | Aminocaproic acid | small molecule | DB00513 | Details | |||
| D147 | Trandolapril | small molecule | DB00519 | Details | |||
| D148 | Metolazone | small molecule | DB00524 | Details | |||
| D149 | Tolnaftate | small molecule | DB00525 | Details | |||
| D150 | Lercanidipine | small molecule | DB00528 | Details | |||
| D151 | Cyclophosphamide | small molecule | DB00531 | Details | |||
| D152 | Ciprofloxacin | small molecule | DB00537 | Details | |||
| D153 | Benazepril | small molecule | DB00542 | Details | |||
| D154 | Propylthiouracil | small molecule | DB00550 | Details | |||
| D155 | Zanamivir | small molecule | DB00558 | Details | |||
| D156 | Bosentan | small molecule | DB00559 | Details | |||
| D157 | Methotrexate | small molecule | DB00563 | Details | |||
| D158 | Cisatracurium | small molecule | DB00565 | Details | |||
| D159 | Cephalexin | small molecule | DB00567 | Details | |||
| D160 | Propranolol | small molecule | DB00571 | Details | |||
| D161 | Atropine | small molecule | DB00572 | Details | |||
| D162 | Clonidine | small molecule | DB00575 | Details | |||
| D163 | Lactulose | small molecule | DB00581 | Details | |||
| D164 | Voriconazole | small molecule | DB00582 | Details | |||
| D165 | Diclofenac | small molecule | DB00586 | Details | |||
| D166 | Doxazosin | small molecule | DB00590 | Details | |||
| D167 | Amiloride | small molecule | DB00594 | Details | |||
| D168 | Labetalol | small molecule | DB00598 | Details | |||
| D169 | Thiopental | small molecule | DB00599 | Details | |||
| D170 | Linezolid | small molecule | DB00601 | Details | |||
| D171 | Cisapride | small molecule | DB00604 | Details | |||
| D172 | Nafcillin | small molecule | DB00607 | Details | |||
| D173 | Chloroquine | small molecule | DB00608 | Details | |||
| D174 | Bisoprolol | small molecule | DB00612 | Details | |||
| D175 | Fluphenazine | small molecule | DB00623 | Details | |||
| D176 | Testosterone | small molecule | DB00624 | Details | |||
| D177 | Efavirenz | small molecule | DB00625 | Details | |||
| D178 | Bacitracin | small molecule | DB00626 | Details | |||
| D179 | Niacin | small molecule | DB00627 | Details | |||
| D180 | Alendronic acid | small molecule | DB00630 | Details | |||
| D181 | Prednisone | small molecule | DB00635 | Details | |||
| D182 | Inulin | small molecule | DB00638 | Details | |||
| D183 | Adenosine | small molecule | DB00640 | Details | |||
| D184 | Simvastatin | small molecule | DB00641 | Details | |||
| D185 | Stavudine | small molecule | DB00649 | Details | |||
| D186 | Trazodone | small molecule | DB00656 | Details | |||
| D187 | Verapamil | small molecule | DB00661 | Details | |||
| D188 | Epinephrine | small molecule | DB00668 | Details | |||
| D189 | Pirenzepine | small molecule | DB00670 | Details | |||
| D190 | Cefixime | small molecule | DB00671 | Details | |||
| D191 | Chlorpropamide | small molecule | DB00672 | Details | |||
| D192 | Losartan | small molecule | DB00678 | Details | |||
| D193 | Thioridazine | small molecule | DB00679 | Details | |||
| D194 | Warfarin | small molecule | DB00682 | Details | |||
| D195 | Midazolam | small molecule | DB00683 | Details | |||
| D196 | Tobramycin | small molecule | DB00684 | Details | |||
| D197 | Fludrocortisone | small molecule | DB00687 | Details | |||
| D198 | Phentolamine | small molecule | DB00692 | Details | |||
| D199 | Furosemide | small molecule | DB00695 | Details | |||
| D200 | Eplerenone | small molecule | DB00700 | Details | |||
| D201 | Amprenavir | small molecule | DB00701 | Details | |||
| D202 | Naltrexone | small molecule | DB00704 | Details | |||
| D203 | Tamsulosin | small molecule | DB00706 | Details | |||
| D204 | Lamivudine | small molecule | DB00709 | Details | |||
| D205 | Ibandronate | small molecule | DB00710 | Details | |||
| D206 | Flurbiprofen | small molecule | DB00712 | Details | |||
| D207 | Oxacillin | small molecule | DB00713 | Details | |||
| D208 | Paroxetine | small molecule | DB00715 | Details | |||
| D209 | Lisinopril | small molecule | DB00722 | Details | |||
| D210 | Nitroglycerin | small molecule | DB00727 | Details | |||
| D211 | Rocuronium | small molecule | DB00728 | Details | |||
| D212 | Risperidone | small molecule | DB00734 | Details | |||
| D213 | Esomeprazole | small molecule | DB00736 | Details | |||
| D214 | Pentamidine | small molecule | DB00738 | Details | |||
| D215 | Hydrocortisone | small molecule | DB00741 | Details | |||
| D216 | Mannitol | small molecule | DB00742 | Details | |||
| D217 | Deferoxamine | small molecule | DB00746 | Details | |||
| D218 | Prilocaine | small molecule | DB00750 | Details | |||
| D219 | Isoflurane | small molecule | DB00753 | Details | |||
| D220 | Clopidogrel | small molecule | DB00758 | Details | |||
| D221 | Methimazole | small molecule | DB00763 | Details | |||
| D222 | Clavulanic acid | small molecule | DB00766 | Details | |||
| D223 | Alprostadil | small molecule | DB00770 | Details | |||
| D224 | Mefenamic acid | small molecule | DB00784 | Details | |||
| D225 | Perindopril | small molecule | DB00790 | Details | |||
| D226 | Alfentanil | small molecule | DB00802 | Details | |||
| D227 | Pentoxifylline | small molecule | DB00806 | Details | |||
| D228 | Indapamide | small molecule | DB00808 | Details | |||
| D229 | Tropicamide | small molecule | DB00809 | Details | |||
| D230 | Ribavirin | small molecule | DB00811 | Details | |||
| D231 | Fentanyl | small molecule | DB00813 | Details | |||
| D232 | Propofol | small molecule | DB00818 | Details | |||
| D233 | Acetazolamide | small molecule | DB00819 | Details | |||
| D234 | Tadalafil | small molecule | DB00820 | Details | |||
| D235 | Fosfomycin | small molecule | DB00828 | Details | |||
| D236 | Diazepam | small molecule | DB00829 | Details | |||
| D237 | Trifluoperazine | small molecule | DB00831 | Details | |||
| D238 | Mifepristone | small molecule | DB00834 | Details | |||
| D239 | Tolazamide | small molecule | DB00839 | Details | |||
| D240 | Dobutamine | small molecule | DB00841 | Details | |||
| D241 | Donepezil | small molecule | DB00843 | Details | |||
| D242 | Nalbuphine | small molecule | DB00844 | Details | |||
| D243 | Levamisole | small molecule | DB00848 | Details | |||
| D244 | Perphenazine | small molecule | DB00850 | Details | |||
| D245 | Pseudoephedrine | small molecule | DB00852 | Details | |||
| D246 | Aminolevulinic acid | small molecule | DB00855 | Details | |||
| D247 | Terbinafine | small molecule | DB00857 | Details | |||
| D248 | Prednisolone | small molecule | DB00860 | Details | |||
| D249 | Diflunisal | small molecule | DB00861 | Details | |||
| D250 | Terbutaline | small molecule | DB00871 | Details | |||
| D251 | Guaifenesin | small molecule | DB00874 | Details | |||
| D252 | Eprosartan | small molecule | DB00876 | Details | |||
| D253 | Sirolimus | small molecule | DB00877 | Details | |||
| D254 | Emtricitabine | small molecule | DB00879 | Details | |||
| D255 | Quinapril | small molecule | DB00881 | Details | |||
| D256 | Isosorbide dinitrate | small molecule | DB00883 | Details | |||
| D257 | Mechlorethamine | small molecule | DB00888 | Details | |||
| D258 | Ethanol | small molecule | DB00898 | Details | |||
| D259 | Remifentanil | small molecule | DB00899 | Details | |||
| D260 | Ondansetron | small molecule | DB00904 | Details | |||
| D261 | Cocaine | small molecule | DB00907 | Details | |||
| D262 | Repaglinide | small molecule | DB00912 | Details | |||
| D263 | Phenformin | small molecule | DB00914 | Details | |||
| D264 | Amantadine | small molecule | DB00915 | Details | |||
| D265 | Metronidazole | small molecule | DB00916 | Details | |||
| D266 | Dinoprostone | small molecule | DB00917 | Details | |||
| D267 | Buprenorphine | small molecule | DB00921 | Details | |||
| D268 | Azacitidine | small molecule | DB00928 | Details | |||
| D269 | Misoprostol | small molecule | DB00929 | Details | |||
| D270 | Mesoridazine | small molecule | DB00933 | Details | |||
| D271 | Oxymetazoline | small molecule | DB00935 | Details | |||
| D272 | Salicylic acid | small molecule | DB00936 | Details | |||
| D273 | Acetylsalicylic acid | small molecule | DB00945 | Details | |||
| D274 | Phenprocoumon | small molecule | DB00946 | Details | |||
| D275 | Fexofenadine | small molecule | DB00950 | Details | |||
| D276 | Isoniazid | small molecule | DB00951 | Details | |||
| D277 | Norgestimate | small molecule | DB00957 | Details | |||
| D278 | Methylprednisolone | small molecule | DB00959 | Details | |||
| D279 | Mepivacaine | small molecule | DB00961 | Details | |||
| D280 | Zaleplon | small molecule | DB00962 | Details | |||
| D281 | Bromfenac | small molecule | DB00963 | Details | |||
| D282 | Telmisartan | small molecule | DB00966 | Details | |||
| D283 | Methyldopa | small molecule | DB00968 | Details | |||
| D284 | Ezetimibe | small molecule | DB00973 | Details | |||
| D285 | Edetic acid | small molecule | DB00974 | Details | |||
| D286 | Dipyridamole | small molecule | DB00975 | Details | |||
| D287 | Ethinylestradiol | small molecule | DB00977 | Details | |||
| D288 | Physostigmine | small molecule | DB00981 | Details | |||
| D289 | Isotretinoin | small molecule | DB00982 | Details | |||
| D290 | Nandrolone phenpropionate | small molecule | DB00984 | Details | |||
| D291 | Glycopyrronium | small molecule | DB00986 | Details | |||
| D292 | Dopamine | small molecule | DB00988 | Details | |||
| D293 | Azathioprine | small molecule | DB00993 | Details | |||
| D294 | Gabapentin | small molecule | DB00996 | Details | |||
| D295 | Frovatriptan | small molecule | DB00998 | Details | |||
| D296 | Hydrochlorothiazide | small molecule | DB00999 | Details | |||
| D297 | Salbutamol | small molecule | DB01001 | Details | |||
| D298 | Levobupivacaine | small molecule | DB01002 | Details | |||
| D299 | Hydroxyurea | small molecule | DB01005 | Details | |||
| D300 | Letrozole | small molecule | DB01006 | Details | |||
| D301 | Metyrapone | small molecule | DB01011 | Details | |||
| D302 | Cinacalcet | small molecule | DB01012 | Details | |||
| D303 | Sulfamethoxazole | small molecule | DB01015 | Details | |||
| D304 | Bethanechol | small molecule | DB01019 | Details | |||
| D305 | Phylloquinone | small molecule | DB01022 | Details | |||
| D306 | Felodipine | small molecule | DB01023 | Details | |||
| D307 | Mycophenolic acid | small molecule | DB01024 | Details | |||
| D308 | Amlexanox | small molecule | DB01025 | Details | |||
| D309 | Irbesartan | small molecule | DB01029 | Details | |||
| D310 | Probenecid | small molecule | DB01032 | Details | |||
| D311 | Fenofibrate | small molecule | DB01039 | Details | |||
| D312 | Thalidomide | small molecule | DB01041 | Details | |||
| D313 | Ibuprofen | small molecule | DB01050 | Details | |||
| D314 | Benzylpenicillin | small molecule | DB01053 | Details | |||
| D315 | Amoxicillin | small molecule | DB01060 | Details | |||
| D316 | Melatonin | small molecule | DB01065 | Details | |||
| D317 | Glipizide | small molecule | DB01067 | Details | |||
| D318 | Promethazine | small molecule | DB01069 | Details | |||
| D319 | Diphenhydramine | small molecule | DB01075 | Details | |||
| D320 | Atorvastatin | small molecule | DB01076 | Details | |||
| D321 | Vigabatrin | small molecule | DB01080 | Details | |||
| D322 | Streptomycin | small molecule | DB01082 | Details | |||
| D323 | Orlistat | small molecule | DB01083 | Details | |||
| D324 | Pilocarpine | small molecule | DB01085 | Details | |||
| D325 | Benzocaine | small molecule | DB01086 | Details | |||
| D326 | Dimethyl sulfoxide | small molecule | DB01093 | Details | |||
| D327 | Pimozide | small molecule | DB01100 | Details | |||
| D328 | Sertraline | small molecule | DB01104 | Details | |||
| D329 | Miconazole | small molecule | DB01110 | Details | |||
| D330 | Nifedipine | small molecule | DB01115 | Details | |||
| D331 | Amiodarone | small molecule | DB01118 | Details | |||
| D332 | Diazoxide | small molecule | DB01119 | Details | |||
| D333 | Gliclazide | small molecule | DB01120 | Details | |||
| D334 | Tolbutamide | small molecule | DB01124 | Details | |||
| D335 | Dutasteride | small molecule | DB01126 | Details | |||
| D336 | Pioglitazone | small molecule | DB01132 | Details | |||
| D337 | Carvedilol | small molecule | DB01136 | Details | |||
| D338 | Levofloxacin | small molecule | DB01137 | Details | |||
| D339 | Cefadroxil | small molecule | DB01140 | Details | |||
| D340 | Bupropion | small molecule | DB01156 | Details | |||
| D341 | Terazosin | small molecule | DB01162 | Details | |||
| D342 | Ofloxacin | small molecule | DB01165 | Details | |||
| D343 | Cilostazol | small molecule | DB01166 | Details | |||
| D344 | Itraconazole | small molecule | DB01167 | Details | |||
| D345 | Chlormezanone | small molecule | DB01178 | Details | |||
| D346 | Naloxone | small molecule | DB01183 | Details | |||
| D347 | Domperidone | small molecule | DB01184 | Details | |||
| D348 | Ciclopirox | small molecule | DB01188 | Details | |||
| D349 | Desflurane | small molecule | DB01189 | Details | |||
| D350 | Clindamycin | small molecule | DB01190 | Details | |||
| D351 | Dexfenfluramine | small molecule | DB01191 | Details | |||
| D352 | Captopril | small molecule | DB01197 | Details | |||
| D353 | Zopiclone | small molecule | DB01198 | Details | |||
| D354 | Bromocriptine | small molecule | DB01200 | Details | |||
| D355 | Clarithromycin | small molecule | DB01211 | Details | |||
| D356 | Ceftriaxone | small molecule | DB01212 | Details | |||
| D357 | Anastrozole | small molecule | DB01217 | Details | |||
| D358 | Dantrolene | small molecule | DB01219 | Details | |||
| D359 | Budesonide | small molecule | DB01222 | Details | |||
| D360 | Quetiapine | small molecule | DB01224 | Details | |||
| D361 | Paclitaxel | small molecule | DB01229 | Details | |||
| D362 | Metoclopramide | small molecule | DB01233 | Details | |||
| D363 | Dexamethasone | small molecule | DB01234 | Details | |||
| D364 | Sevoflurane | small molecule | DB01236 | Details | |||
| D365 | Aripiprazole | small molecule | DB01238 | Details | |||
| D366 | Epoprostenol | small molecule | DB01240 | Details | |||
| D367 | Gliquidone | small molecule | DB01251 | Details | |||
| D368 | Dasatinib | small molecule | DB01254 | Details | |||
| D369 | Lapatinib | small molecule | DB01259 | Details | |||
| D370 | Darunavir | small molecule | DB01264 | Details | |||
| D371 | Sunitinib | small molecule | DB01268 | Details | |||
| D372 | Hydralazine | small molecule | DB01275 | Details | |||
| D373 | Lumiracoxib | small molecule | DB01283 | Details | |||
| D374 | Glucosamine | small molecule | DB01296 | Details | |||
| D375 | Cefazolin | small molecule | DB01327 | Details | |||
| D376 | Vecuronium | small molecule | DB01339 | Details | |||
| D377 | Cilazapril | small molecule | DB01340 | Details | |||
| D378 | Spirapril | small molecule | DB01348 | Details | |||
| D379 | Ephedrine | small molecule | DB01364 | Details | |||
| D380 | Yohimbine | small molecule | DB01392 | Details | |||
| D381 | Bezafibrate | small molecule | DB01393 | Details | |||
| D382 | Colchicine | small molecule | DB01394 | Details | |||
| D383 | Drospirenone | small molecule | DB01395 | Details | |||
| D384 | Methotrimeprazine | small molecule | DB01403 | Details | |||
| D385 | Clenbuterol | small molecule | DB01407 | Details | |||
| D386 | Theobromine | small molecule | DB01412 | Details | |||
| D387 | Cefepime | small molecule | DB01413 | Details | |||
| D388 | Alfacalcidol | small molecule | DB01436 | Details | |||
| D389 | Diamorphine | small molecule | DB01452 | Details | |||
| D390 | Metamfetamine | small molecule | DB01577 | Details | |||
| D391 | Sulfamethazine | small molecule | DB01582 | Details | |||
| D392 | Ursodeoxycholic acid | small molecule | DB01586 | Details | |||
| D393 | Probucol | small molecule | DB01599 | Details | |||
| D394 | Lopinavir | small molecule | DB01601 | Details | |||
| D395 | Tazobactam | small molecule | DB01606 | Details | |||
| D396 | Hydroxychloroquine | small molecule | DB01611 | Details | |||
| D397 | Molindone | small molecule | DB01618 | Details | |||
| D398 | Thiothixene | small molecule | DB01623 | Details | |||
| D399 | Sorbitol | small molecule | DB01638 | Details | |||
| D400 | Genistein | small molecule | DB01645 | Details | |||
| D401 | N,N-dimethylarginine | small molecule | DB01686 | Details | |||
| D402 | Prasterone | small molecule | DB01708 | Details | |||
| D403 | Pantothenic acid | small molecule | DB01783 | Details | |||
| D404 | Taurine | small molecule | DB01956 | Details | |||
| D405 | Calcipotriol | small molecule | DB02300 | Details | |||
| D406 | Thymol | small molecule | DB02513 | Details | |||
| D407 | gamma-Aminobutyric acid | small molecule | DB02530 | Details | |||
| D408 | Terlipressin | small molecule | DB02638 | Details | |||
| D409 | Nicotinamide | small molecule | DB02701 | Details | |||
| D410 | Fusidic acid | small molecule | DB02703 | Details | |||
| D411 | Resveratrol | small molecule | DB02709 | Details | |||
| D412 | Oxitriptan | small molecule | DB02959 | Details | |||
| D413 | Glycolic acid | small molecule | DB03085 | Details | |||
| D414 | Acetylcholine | small molecule | DB03128 | Details | |||
| D415 | Acetic acid | small molecule | DB03166 | Details | |||
| D416 | Phenol | small molecule | DB03255 | Details | |||
| D417 | Palmitic Acid | small molecule | DB03796 | Details | |||
| D418 | Eucalyptol | small molecule | DB03852 | Details | |||
| D419 | Citric acid | small molecule | DB04272 | Details | |||
| D420 | Maleic Acid | small molecule | DB04299 | Details | |||
| D421 | N,N,N-trimethylglycinium | small molecule | DB04455 | Details | |||
| D422 | Meso-Erythritol | small molecule | DB04481 | Details | |||
| D423 | Indole | small molecule | DB04532 | Details | |||
| D424 | Arachidonic Acid | small molecule | DB04557 | Details | |||
| D425 | Buformin | small molecule | DB04830 | Details | |||
| D426 | Methaqualone | small molecule | DB04833 | Details | |||
| D427 | Cyproterone acetate | small molecule | DB04839 | Details | |||
| D428 | Fluspirilene | small molecule | DB04842 | Details | |||
| D429 | Tetrabenazine | small molecule | DB04844 | Details | |||
| D430 | Febuxostat | small molecule | DB04854 | Details | |||
| D431 | Nebivolol | small molecule | DB04861 | Details | |||
| D432 | Vildagliptin | small molecule | DB04876 | Details | |||
| D433 | Voglibose | small molecule | DB04878 | Details | |||
| D434 | Iloperidone | small molecule | DB04946 | Details | |||
| D435 | Lobeline | small molecule | DB05137 | Details | |||
| D436 | Histamine | small molecule | DB05381 | Details | |||
| D437 | Iodine | small molecule | DB05382 | Details | |||
| D438 | Levoketoconazole | small molecule | DB05667 | Details | |||
| D439 | Acetylcysteine | small molecule | DB06151 | Details | |||
| D440 | Atrasentan | small molecule | DB06199 | Details | |||
| D441 | Rivaroxaban | small molecule | DB06228 | Details | |||
| D442 | Eflornithine | small molecule | DB06243 | Details | |||
| D443 | Sitaxentan | small molecule | DB06268 | Details | |||
| D444 | Amisulpride | small molecule | DB06288 | Details | |||
| D445 | Dapagliflozin | small molecule | DB06292 | Details | |||
| D446 | Darapladib | small molecule | DB06311 | Details | |||
| D447 | Saxagliptin | small molecule | DB06335 | Details | |||
| D448 | Ambrisentan | small molecule | DB06403 | Details | |||
| D449 | Etravirine | small molecule | DB06414 | Details | |||
| D450 | Prucalopride | small molecule | DB06480 | Details | |||
| D451 | Cetilistat | small molecule | DB06586 | Details | |||
| D452 | Agomelatine | small molecule | DB06594 | Details | |||
| D453 | Apixaban | small molecule | DB06605 | Details | |||
| D454 | Bosutinib | small molecule | DB06616 | Details | |||
| D455 | Desvenlafaxine | small molecule | DB06700 | Details | |||
| D456 | Methyltestosterone | small molecule | DB06710 | Details | |||
| D457 | Beta carotene | small molecule | DB06755 | Details | |||
| D458 | Manganese | small molecule | DB06757 | Details | |||
| D459 | Capsaicin | small molecule | DB06774 | Details | |||
| D460 | Chenodeoxycholic acid | small molecule | DB06777 | Details | |||
| D461 | Cupric sulfate | small molecule | DB06778 | Details | |||
| D462 | Lanreotide | small molecule | DB06791 | Details | |||
| D463 | Plerixafor | small molecule | DB06809 | Details | |||
| D464 | Phenylbutyric acid | small molecule | DB06819 | Details | |||
| D465 | 4,4'-PROPANE-2,2-DIYLDIPHENOL | small molecule | DB06973 | Details | |||
| D466 | Emodin | small molecule | DB07715 | Details | |||
| D467 | 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE | small molecule | DB07919 | Details | |||
| D468 | Parecoxib | small molecule | DB08439 | Details | |||
| D469 | Triclosan | small molecule | DB08604 | Details | |||
| D470 | Nandrolone decanoate | small molecule | DB08804 | Details | |||
| D471 | Ticagrelor | small molecule | DB08816 | Details | |||
| D472 | Deferiprone | small molecule | DB08826 | Details | |||
| D473 | Uric acid | small molecule | DB08844 | Details | |||
| D474 | Pitavastatin | small molecule | DB08860 | Details | |||
| D475 | Rilpivirine | small molecule | DB08864 | Details | |||
| D476 | Linaclotide | small molecule | DB08890 | Details | |||
| D477 | Tofacitinib | small molecule | DB08895 | Details | |||
| D478 | Dimethyl fumarate | small molecule | DB08908 | Details | |||
| D479 | Sofosbuvir | small molecule | DB08934 | Details | |||
| D480 | Dexetimide | small molecule | DB08997 | Details | |||
| D481 | Bisacodyl | small molecule | DB09020 | Details | |||
| D482 | Aliskiren | small molecule | DB09026 | Details | |||
| D483 | Ledipasvir | small molecule | DB09027 | Details | |||
| D484 | Acipimox | small molecule | DB09055 | Details | |||
| D485 | Ciprofibrate | small molecule | DB09064 | Details | |||
| D486 | Olaparib | small molecule | DB09074 | Details | |||
| D487 | Benzoyl peroxide | small molecule | DB09096 | Details | |||
| D488 | Coenzyme M | small molecule | DB09110 | Details | |||
| D489 | Nicorandil | small molecule | DB09220 | Details | |||
| D490 | Manidipine | small molecule | DB09238 | Details | |||
| D491 | Methylene blue | small molecule | DB09241 | Details | |||
| D492 | Moxonidine | small molecule | DB09242 | Details | |||
| D493 | Ubidecarenone | small molecule | DB09270 | Details | |||
| D494 | Silibinin | small molecule | DB09298 | Details | |||
| D495 | Glycerin | small molecule | DB09462 | Details | |||
| D496 | Methyl salicylate | small molecule | DB09543 | Details | |||
| D497 | Ixazomib | small molecule | DB09570 | Details | |||
| D498 | Hydrogen peroxide | small molecule | DB11091 | Details | |||
| D499 | Lycopene | small molecule | DB11231 | Details | |||
| D500 | Medetomidine | small molecule | DB11428 | Details | |||
| D501 | Lesinurad | small molecule | DB11560 | Details | |||
| D502 | Carbon monoxide | small molecule | DB11588 | Details | |||
| D503 | Curcumin | small molecule | DB11672 | Details | |||
| D504 | Pyridoxamine | small molecule | DB11673 | Details | |||
| D505 | Equol | small molecule | DB11674 | Details | |||
| D506 | Mosapride | small molecule | DB11675 | Details | |||
| D507 | Ebastine | small molecule | DB11742 | Details | |||
| D508 | Rifamycin | small molecule | DB11753 | Details | |||
| D509 | Imidapril | small molecule | DB11783 | Details | |||
| D510 | Angiotensin II | small molecule | DB11842 | Details | |||
| D511 | Verinurad | small molecule | DB11873 | Details | |||
| D512 | 2,4-thiazolidinedione | small molecule | DB11898 | Details | |||
| D513 | Zuretinol acetate | small molecule | DB12112 | Details | |||
| D514 | Bradykinin | small molecule | DB12126 | Details | |||
| D515 | Sarpogrelate | small molecule | DB12163 | Details | |||
| D516 | Secoisolariciresinol | small molecule | DB12179 | Details | |||
| D517 | Bexagliflozin | small molecule | DB12236 | Details | |||
| D518 | Benzbromarone | small molecule | DB12319 | Details | |||
| D519 | Nitroaspirin | small molecule | DB12445 | Details | |||
| D520 | Piperine | small molecule | DB12582 | Details | |||
| D521 | Isoquercetin | small molecule | DB12665 | Details | |||
| D522 | Cicletanine | small molecule | DB12766 | Details | |||
| D523 | Gallopamil | small molecule | DB12923 | Details | |||
| D524 | Lactitol | small molecule | DB12942 | Details | |||
| D525 | Daidzein | small molecule | DB13182 | Details | |||
| D526 | Camostat | small molecule | DB13729 | Details | |||
| D527 | Fenofibric acid | small molecule | DB13873 | Details | |||
| D528 | Candesartan | small molecule | DB13919 | Details | |||
| D529 | Testosterone enanthate | small molecule | DB13944 | Details | |||
| D530 | Ferric cation | small molecule | DB13949 | Details | |||
| D531 | Palmidrol | small molecule | DB14043 | Details | |||
| D532 | Cianidanol | small molecule | DB14086 | Details | |||
| D533 | Tenofovir | small molecule | DB14126 | Details | |||
| D534 | Cinnamaldehyde | small molecule | DB14184 | Details | |||
| D535 | Cobaltous cation | small molecule | DB14205 | Details | |||
| D536 | Chromic cation | small molecule | DB14525 | Details | |||
| D537 | Zinc cation | small molecule | DB14532 | Details | |||
| D538 | Cupric cation | small molecule | DB14552 | Details | |||
| D539 | Bismuth cation | small molecule | DB14572 | Details | |||
| D540 | Calcium cation | small molecule | DB14577 | Details | |||
| D541 | Cortisone | small molecule | DB14681 | Details | |||
| D542 | Dabigatran | small molecule | DB14726 | Details | |||
| D543 | Remdesivir | small molecule | DB14761 | Details | |||
| D544 | Venglustat | small molecule | DB14966 | Details | |||
| D545 | Abrocitinib | small molecule | DB14973 | Details | |||
| D546 | Ursolic acid | small molecule | DB15588 | Details |