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 | 0KE | (5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate | Organic compounds | Organoheterocyclic compounds | Pyridines and derivatives | Pyridoxamines |
| Explore | n/a | 0KF | N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide | Organic compounds | Benzenoids | Benzene and substituted derivatives | Anilides |
| Explore | n/a | 0KG | {2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl}phosphonic acid | Organic compounds | Benzenoids | Phenol ethers | n/a |
| Explore | n/a | 0KH | (2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid | Organic compounds | Benzenoids | Benzene and substituted derivatives | Anilides |
| Explore | n/a | 0KI | 7-chloranyl-5-ethyl-3-(3-hydroxy-3-oxopropyl)-1H-indole-2-carboxylic acid | n/a | n/a | n/a | n/a |
| Explore | n/a | 0KJ | [(2S)-5-oxopyrrolidin-2-yl]methyl [(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate | Organic compounds | Benzenoids | Benzene and substituted derivatives | Phenylbutylamines |
| Explore | n/a | 0KK | (2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-one | Organic compounds | Benzenoids | Benzene and substituted derivatives | Diphenylmethanes |
| Explore | n/a | 0KL | 5-(5-aminopent-1-yn-1-yl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate) | Organic compounds | Nucleosides, nucleotides, and analogues | Pyrimidine nucleotides | Pyrimidine deoxyribonucleotides |
| Explore | n/a | 0KM | (2E,5R)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-one | Organic compounds | Benzenoids | Benzene and substituted derivatives | Diphenylmethanes |
| Explore | n/a | 0KN | (2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamide | Organic compounds | Organoheterocyclic compounds | Pyranopyridines | n/a |
| Explore | n/a | 0KO | 4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine | Organic compounds | Organoheterocyclic compounds | Triazines | Aminotriazines |
| Explore | n/a | 0KP | (2E,5R)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one | Organic compounds | Benzenoids | Benzene and substituted derivatives | Diphenylmethanes |
| Explore | n/a | 0KQ | (2E,5R)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one | Organic compounds | Organoheterocyclic compounds | Pyridines and derivatives | Phenylpyridines |
| Explore | n/a | 0KR | (2E,5R)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one | Organic compounds | Organoheterocyclic compounds | Pyridines and derivatives | Phenylpyridines |
| Explore | n/a | 0KS | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide | Organic compounds | Benzenoids | Benzene and substituted derivatives | Sulfanilides |
| Explore | n/a | 0KT | N-methyl-N-(4-{(1S)-2,2,2-trifluoro-1-hydroxy-1-[1-(2-methoxyethyl)-1H-pyrrol-2-yl]ethyl}phenyl)benzenesulfonamide | Organic compounds | Benzenoids | Benzene and substituted derivatives | Sulfanilides |
| Explore | n/a | 0KU | N-(4-chlorophenyl)-N'-{(S)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2S)-piperidin-2-yl]methyl}ethanediamide | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 0KV | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 0KW | N-(4-chlorophenyl)-N'-{(S)-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl][(2S)-piperidin-2-yl]methyl}ethanediamide | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 0KX | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine | Organic compounds | Nucleosides, nucleotides, and analogues | Pyrimidine nucleosides | Pyrimidine 2'-deoxyribonucleosides |
| Explore | n/a | 0KY | 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one | Organic compounds | Organoheterocyclic compounds | Imidazopyrimidines | Purines and purine derivatives |
| Explore | n/a | 0L0 | (4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate | Organic compounds | Organoheterocyclic compounds | Pyridines and derivatives | Pyridoxamines |
| Explore | n/a | 0L1 | hexanedioic acid | Organic compounds | Lipids and lipid-like molecules | Fatty Acyls | Fatty acids and conjugates |
| Explore | n/a | 0L3 | 7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine | Organic compounds | Organoheterocyclic compounds | Pyrrolopyrimidines | Pyrrolo[2,3-d]pyrimidines |
| Explore | n/a | 0L4 | 5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine | Organic compounds | Organoheterocyclic compounds | Pyrrolopyrimidines | Pyrrolo[2,3-d]pyrimidines |
| Explore | n/a | 0L5 | 2'-deoxy-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}uridine 5'-(tetrahydrogen triphosphate) | Organic compounds | Nucleosides, nucleotides, and analogues | Pyrimidine nucleotides | Pyrimidine deoxyribonucleotides |
| Explore | n/a | 0L6 | 5-(5-aminopent-1-yn-1-yl)-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) | Organic compounds | Nucleosides, nucleotides, and analogues | Pyrimidine nucleotides | Pyrimidine deoxyribonucleotides |
| Explore | n/a | 0L7 | 2-amino-5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | Organic compounds | Organoheterocyclic compounds | Pyrrolopyrimidines | Pyrrolo[2,3-d]pyrimidines |
| Explore | n/a | 0L8 | 2'-bromo-6'-(furan-3-yl)-4'-(hydroxymethyl)biphenyl-4-ol | Organic compounds | Benzenoids | Benzene and substituted derivatives | Biphenyls and derivatives |
| Explore | n/a | 0L9 | (2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](methoxy)ethanoic acid | Organic compounds | Organoheterocyclic compounds | Quinolines and derivatives | Phenylquinolines |