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 | 0EV | 4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Organic compounds | Organoheterocyclic compounds | Diazanaphthalenes | Benzodiazines |
| Explore | n/a | 0EW | N-{3-[(2S,5R)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2H-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide | n/a | n/a | n/a | n/a |
| Explore | n/a | 0EX | 6-amino-4-[2-(benzylamino)ethyl]-2-[(2-phenylethyl)amino]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Organic compounds | Organoheterocyclic compounds | Diazanaphthalenes | Benzodiazines |
| Explore | n/a | 0EY | 1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine | Organic compounds | Nucleosides, nucleotides, and analogues | Triazole ribonucleosides and ribonucleotides | n/a |
| Explore | n/a | 0F0 | 3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide | Organic compounds | Benzenoids | Benzene and substituted derivatives | Anilides |
| Explore | n/a | 0F1 | 3,6-dichloro-1-benzothiophene-2-carboxylic acid | Organic compounds | Organoheterocyclic compounds | Benzothiophenes | 1-benzothiophenes |
| Explore | n/a | 0F2 | 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol | Organic compounds | Organoheterocyclic compounds | Indoles and derivatives | Indoles |
| Explore | n/a | 0F3 | 4-(sulfamoylamino)benzenesulfonamide | Organic compounds | Benzenoids | Benzene and substituted derivatives | Sulfanilides |
| Explore | n/a | 0F4 | 1-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-6-yl]amino}phenyl)-3-[3-(trifluoromethyl)phenyl]urea | Organic compounds | Benzenoids | Benzene and substituted derivatives | N-phenylureas |
| Explore | n/a | 0F5 | (5~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione | Organic compounds | Organoheterocyclic compounds | Diazines | Pyrazines |
| Explore | n/a | 0F7 | N-[(benzyloxy)carbonyl]-L-isoleucyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide | Organic compounds | Organic acids and derivatives | Peptidomimetics | Hybrid peptides |
| Explore | n/a | 0F9 | 4-chloro-2-(1H-pyrazol-3-yl)phenol | Organic compounds | Organoheterocyclic compounds | Azoles | Pyrazoles |
| Explore | n/a | 0FA | N~2~-phosphono-L-leucinamide | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 0FG | D-leucyl-N-(4-fluorobenzyl)-L-phenylalaninamide | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 0FI | N-phenylthioformamide | Organic compounds | Benzenoids | Benzene and substituted derivatives | n/a |
| Explore | n/a | 0FK | 8-hydroxyquinoline-2-carboxamide | Organic compounds | Organoheterocyclic compounds | Quinolines and derivatives | Quinoline carboxamides |
| Explore | n/a | 0FN | 1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile | Organic compounds | Benzenoids | Indanes | Indanones |
| Explore | n/a | 0FO | 6-bromo-4-hydroxy-2H-chromen-2-one | Organic compounds | Phenylpropanoids and polyketides | Coumarins and derivatives | Hydroxycoumarins |
| Explore | n/a | 0FP | N-(6-aminohexanoyl)-3-methyl-L-valyl-3-methyl-L-valyl-N~1~-[(2S,3S)-3-hydroxy-4-oxo-4-{[(1R)-1-phenylpropyl]amino}butan-2-yl]-N~4~,N~4~-dimethyl-L-aspartamide | Organic compounds | Organic acids and derivatives | Peptidomimetics | Hybrid peptides |
| Explore | n/a | 0FQ | phenacyl coenzyme A | Organic compounds | Lipids and lipid-like molecules | S-alkyl-CoAs | n/a |
| Explore | n/a | 0FR | furan-2-yl(1H-indol-3-yl)methanone | Organic compounds | Organoheterocyclic compounds | Indoles and derivatives | Indolecarboxylic acids and derivatives |
| Explore | n/a | 0FS | (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione | Organic compounds | Benzenoids | Benzene and substituted derivatives | Trifluoromethylbenzenes |
| Explore | n/a | 0FT | 1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine | Organic compounds | Nucleosides, nucleotides, and analogues | Triazole ribonucleosides and ribonucleotides | n/a |
| Explore | n/a | 0FU | 2,5,6-triaminopyrimidin-4-ol | Organic compounds | Organoheterocyclic compounds | Diazines | Pyrimidines and pyrimidine derivatives |
| Explore | n/a | 0FV | (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate | Organic compounds | Lipids and lipid-like molecules | Prenol lipids | Isoprenoid phosphates |
| Explore | n/a | 0FW | 4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid | Organic compounds | Benzenoids | Benzene and substituted derivatives | Anilides |
| Explore | n/a | 0FX | dTDP-4-amino-4,6-dideoxyglucose | Organic compounds | Nucleosides, nucleotides, and analogues | Pyrimidine nucleotides | Pyrimidine nucleotide sugars |
| Explore | n/a | 0FY | 3-(1-{2-[(3-fluoropyridinium-4-yl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)-6-methyl-8-[(3-{[(1R,3R)-3-methylpiperidinium-1-yl]methyl}-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-1-ium | Organic compounds | Organoheterocyclic compounds | Imidazopyrazines | n/a |
| Explore | n/a | 0FZ | 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide | Organic compounds | Organoheterocyclic compounds | Dihydroisoquinolines | n/a |
| Explore | n/a | 0G | L-GUANOSINE-5'-MONOPHOSPHATE | Organic compounds | Nucleosides, nucleotides, and analogues | Purine nucleotides | Purine ribonucleotides |