PDB Ligand Accession
Browse small molecules by PDB ligand accession and use Explore to open matching proteins.
37373 molecules found
| DrugDomain Data | DrugBank ID | PDB Ligand | Ligand Name | Kingdom | Superclass | Class | Subclass |
|---|---|---|---|---|---|---|---|
| Explore | n/a | 0C7 | N~4~-(2-chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]pyrimidine-2,4-diamine | Organic compounds | Organoheterocyclic compounds | Azoles | Tetrazoles |
| Explore | n/a | 0C8 | 4-[(4-{[2-(trifluoromethoxy)phenyl]amino}pyrimidin-2-yl)amino]benzoic acid | Organic compounds | Benzenoids | Benzene and substituted derivatives | Benzoic acids and derivatives |
| Explore | n/a | 0C9 | 2-({2-[(4-carboxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid | Organic compounds | Benzenoids | Benzene and substituted derivatives | Benzoic acids and derivatives |
| Explore | n/a | 0CA | 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1H-indole-4-carboxylic acid | Organic compounds | Organoheterocyclic compounds | Indoles and derivatives | Indolecarboxylic acids and derivatives |
| Explore | n/a | 0CB | {[(7-carbamimidoylnaphthalen-2-yl)methyl][4-({1-[(1E)-ethanimidoyl]piperidin-4-yl}oxy)phenyl]sulfamoyl}acetic acid | Organic compounds | Benzenoids | Naphthalenes | n/a |
| Explore | n/a | 0CC | Andiconin D | n/a | n/a | n/a | n/a |
| Explore | n/a | 0CE | 2-methyl-11-(1-methylethyl)-8-[(2S)-tetrahydro-2H-pyran-2-yl]-2,11,12,13-tetrahydro-4H-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one | Organic compounds | Organoheterocyclic compounds | Indoles and derivatives | Carbazoles |
| Explore | n/a | 0CG | prop-2-yn-1-yl trihydrogen diphosphate | Organic compounds | Organic oxygen compounds | Organic oxoanionic compounds | Organic pyrophosphates |
| Explore | n/a | 0CH | 4-hydroxybutyl trihydrogen diphosphate | Organic compounds | Organic oxygen compounds | Organic oxoanionic compounds | Organic pyrophosphates |
| Explore | n/a | 0CI | 5-(1-{[(3S)-1-propanoylpyrrolidin-3-yl]oxy}isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one | Organic compounds | Organoheterocyclic compounds | Azoles | Triazoles |
| Explore | n/a | 0CJ | 4-oxopentyl trihydrogen diphosphate | Organic compounds | Organic oxygen compounds | Organic oxoanionic compounds | Organic pyrophosphates |
| Explore | n/a | 0CK | 4-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine | Organic compounds | Organoheterocyclic compounds | Azoles | Imidazoles |
| Explore | n/a | 0CL | 1,3-dichloropropane | Organic compounds | Organohalogen compounds | Organochlorides | n/a |
| Explore | n/a | 0CM | but-2-yn-1-yl trihydrogen diphosphate | Organic compounds | Organic oxygen compounds | Organic oxoanionic compounds | Organic pyrophosphates |
| Explore | n/a | 0CN | buta-2,3-dien-1-yl trihydrogen diphosphate | Organic compounds | Organic oxygen compounds | Organic oxoanionic compounds | Organic pyrophosphates |
| Explore | n/a | 0CO | (1S,3R,5Z,7E,14beta,17alpha,23R)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol | Organic compounds | Lipids and lipid-like molecules | Steroids and steroid derivatives | Vitamin D and derivatives |
| Explore | n/a | 0CP | 5-{3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1H)-one | Organic compounds | Lipids and lipid-like molecules | Prenol lipids | Monoterpenoids |
| Explore | n/a | 0CR | MoMo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-y l)propanoic acid]-cryptophane-A | Organic compounds | Benzenoids | Benzene and substituted derivatives | Benzenesulfonamides |
| Explore | n/a | 0CT | 1H-benzotriazole | Organic compounds | Organoheterocyclic compounds | Benzotriazoles | n/a |
| Explore | n/a | 0CV | 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline | Organic compounds | Organoheterocyclic compounds | Diazinanes | Piperazines |
| Explore | n/a | 0CX | (2R,3aS,5aR,5bS,9S,13S,14R,16aS,16bR)-9-ethyl-2,13-dihydroxy-14-methyl-2,3,3a,5a,5b,6,9,10,11,12,13,14,16a,16b-tetradecahydro-1H-as-indaceno[3,2-d]oxacyclododecine-7,15-dione | Organic compounds | Phenylpropanoids and polyketides | Macrolides and analogues | n/a |
| Explore | n/a | 0CZ | 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol | Organic compounds | Benzenoids | Benzene and substituted derivatives | Diphenylmethanes |
| Explore | n/a | 0D1 | 4,4'-(2,2-dichloroethene-1,1-diyl)diphenol | Organic compounds | Benzenoids | Benzene and substituted derivatives | Diphenylmethanes |
| Explore | n/a | 0D2 | (4R,4'S)-4,4'-diphenyl-4,4'-biimidazolidine-2,2',5,5'-tetrone | Organic compounds | Phenylpropanoids and polyketides | Stilbenes | n/a |
| Explore | n/a | 0D3 | N-[(2S)-2-benzyl-3-sulfanylpropanoyl]-L-alanylglycinamide | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 0D6 | N-{(1R)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}-N~2~-(piperazin-1-ylcarbonyl)-L-leucinamide | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 0D8 | 3-aminopropan-1-ol | Organic compounds | Organic nitrogen compounds | Organonitrogen compounds | Amines |
| Explore | n/a | 0DB | N-({1-[(2S)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-L-tryptophan | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 0DF | 1-methyl-6-phenyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one | Organic compounds | Organoheterocyclic compounds | Pyridines and derivatives | Phenylpyridines |
| Explore | n/a | 0DI | (2R)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |