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 | DB02888 | 001 | 1-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY-PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC ACID 4-PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)-BUTYL ESTER | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 002 | N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 003 | 5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETHYL)-3-PYRIDIN-4-YL-2H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6(5H,7H)-DIONE | Organic compounds | Organoheterocyclic compounds | Imidazopyrimidines | Purines and purine derivatives |
| Explore | n/a | 006 | (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | Organic compounds | Organic acids and derivatives | Peptidomimetics | Hybrid peptides |
| Explore | DB04577 | 007 | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | Organic compounds | Organic nitrogen compounds | Organonitrogen compounds | Amines |
| Explore | DB04578 | 008 | (S)-2-[(R)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE | Organic compounds | Organic acids and derivatives | Peptidomimetics | Hybrid peptides |
| Explore | n/a | 009 | (4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide | Organic compounds | Benzenoids | Benzene and substituted derivatives | Phenylbutylamines |
| Explore | n/a | 00A | 5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine | Organic compounds | Nucleosides, nucleotides, and analogues | Purine nucleotides | Purine ribonucleotides |
| Explore | DB06828 | 00G | 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole | Organic compounds | Organoheterocyclic compounds | Indoles and derivatives | Indoles |
| Explore | n/a | 00J | N,2-DIMETHYL-6-{[7-(2-MORPHOLIN-4-YLETHOXY)QUINOLIN-4-YL]OXY}-1-BENZOFURAN-3-CARBOXAMIDE | Organic compounds | Organic oxygen compounds | Organooxygen compounds | Ethers |
| Explore | n/a | 00K | (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 00L | (1S,7S)-7-amino-7-benzyl-N-[(1S)-4-carbamimidamido-1-{(1S)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 00N | (1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra zolo[1,2-a]pyridazine-1-carboxamide | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 00P | (5S)-N-[(trans-4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide | Organic compounds | Organoheterocyclic compounds | Triazolopyridazines | n/a |
| Explore | n/a | 00Q | D-phenylalanyl-N-{(1S)-1-[(S)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-L-prolinamide | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 00R | (5S)-N-[trans-4-(2-amino-1H-imidazol-5-yl)cyclohexyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide | Organic compounds | Organoheterocyclic compounds | Triazolopyridazines | n/a |
| Explore | DB06770 | 010 | phenylmethanol | Organic compounds | Benzenoids | Benzene and substituted derivatives | Benzyl alcohols |
| Explore | n/a | 011 | 7-aminoheptanoic acid | Organic compounds | Lipids and lipid-like molecules | Fatty Acyls | Fatty acids and conjugates |
| Explore | n/a | 012 | (4S)-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide | Organic compounds | Benzenoids | Benzene and substituted derivatives | Phenylbutylamines |
| Explore | n/a | 014 | 1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazole-4-carboxylic acid | Organic compounds | Organoheterocyclic compounds | Benzimidazoles | n/a |
| Explore | n/a | 016 | (4R)-3-[(2R,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | Organic compounds | Organic acids and derivatives | Peptidomimetics | Hybrid peptides |
| Explore | DB01264 | 017 | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | Organic compounds | Benzenoids | Benzene and substituted derivatives | Benzenesulfonamides |
| Explore | n/a | 018 | 2-nitro-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline | Organic compounds | Benzenoids | Benzene and substituted derivatives | Trifluoromethylbenzenes |
| Explore | n/a | 01A | 4-Chlorophenacyl-coenzyme A | Organic compounds | Lipids and lipid-like molecules | S-alkyl-CoAs | n/a |
| Explore | n/a | 01B | (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 01E | (2S)-2-(3,3-dimethylbutanoylamino)-N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]- 1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamide | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 01F | ethyl hydrogen carbonate | Organic compounds | Organic acids and derivatives | Organic carbonic acids and derivatives | Carbonic acid monoesters |
| Explore | n/a | 01G | 8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate) | Organic compounds | Nucleosides, nucleotides, and analogues | Purine nucleotides | Purine ribonucleotides |
| Explore | n/a | 01I | naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid | Organic compounds | Organoheterocyclic compounds | Naphthofurans | n/a |
| Explore | n/a | 01K | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate | Organic compounds | Lipids and lipid-like molecules | S-alkyl-CoAs | n/a |