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 | 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 |
| Explore | n/a | 0G0 | 1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidine | Organic compounds | Nucleosides, nucleotides, and analogues | Triazole ribonucleosides and ribonucleotides | n/a |
| Explore | n/a | 0G1 | 3-[3-(4-methoxyphenyl)-2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol | Organic compounds | Organoheterocyclic compounds | Pyrroles | Substituted pyrroles |
| Explore | n/a | 0G2 | 3-[2-(5-phenyl-2H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol | Organic compounds | Organoheterocyclic compounds | Indoles and derivatives | Indoles |
| Explore | n/a | 0G3 | N-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]phenyl]-3-(propanoylamino)benzamide | Organic compounds | Benzenoids | Benzene and substituted derivatives | Anilides |
| Explore | n/a | 0G4 | [[[[(2R,5S)-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy -oxidanyl-phosphoryl]amino]phosphonic acid | Organic compounds | Nucleosides, nucleotides, and analogues | Nucleoside and nucleotide analogues | n/a |
| Explore | DB06841 | 0G6 | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 0G7 | D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 0G8 | [(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate | Organic compounds | Nucleosides, nucleotides, and analogues | Nucleoside and nucleotide analogues | n/a |
| Explore | n/a | 0GA | 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid | Organic compounds | Benzenoids | Benzene and substituted derivatives | Phenoxyacetic acid derivatives |
| Explore | n/a | 0GD | 6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine | Organic compounds | Organoheterocyclic compounds | Pyridines and derivatives | Phenylpyridines |
| Explore | n/a | 0GE | N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-alpha-glutamyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 0GH | N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Organic compounds | Benzenoids | Benzene and substituted derivatives | Benzoic acids and derivatives |
| Explore | n/a | 0GI | 3-(3-hydroxy-3-oxopropyl)-5-(2-methylpropyl)-7-nitro-1H-indole-2-carboxylic acid | Organic compounds | Organoheterocyclic compounds | Indoles and derivatives | Indolecarboxylic acids and derivatives |
| Explore | n/a | 0GJ | L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 0GM | N-[(5S,9S,10S,13S)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide | Organic compounds | Organic acids and derivatives | Peptidomimetics | Hybrid peptides |
| Explore | n/a | 0GO | (2S)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(propan-2-yl)benzyl]amino}butan-2-yl]-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide | Organic compounds | Benzenoids | Benzene and substituted derivatives | Phenylbutylamines |
| Explore | n/a | 0GQ | 4-amino-N-{(1R,8R,9R,13R)-16-(4-amino-2-methylpyrimidin-5-yl)-1-benzyl-8-(cyclohexylmethyl)-9-hydroxy-13-[(1S)-1-methylpropyl]-2,6,11,14-tetraoxo-3,7,12,15-tetraazahexadec-1-yl}piperidine-1-carboxamide | Organic compounds | Organic acids and derivatives | Peptidomimetics | Hybrid peptides |
| Explore | n/a | 0GR | N-(furan-2-ylcarbonyl)-L-leucyl-L-tryptophan | Organic compounds | Organic acids and derivatives | Carboxylic acids and derivatives | Amino acids, peptides, and analogues |
| Explore | n/a | 0GS | (3S,4S,5R)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]amino}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide | Organic compounds | Benzenoids | Benzene and substituted derivatives | Phenylmethylamines |
| Explore | n/a | 0GT | (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide | Organic compounds | Organoheterocyclic compounds | Indoles and derivatives | Indoles |
| Explore | n/a | 0GU | (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-[(4,4,7'-trifluoro-1',2'-dihydrospiro[cyclohexane-1,3'-indol]-5'-yl)methyl]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide | Organic compounds | Organoheterocyclic compounds | Indoles and derivatives | Indolines |
| Explore | n/a | 0GV | (3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one | Organic compounds | Lipids and lipid-like molecules | Steroids and steroid derivatives | Cholestane steroids |
| Explore | n/a | 0GW | 5-(1-ethoxyisoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one | n/a | n/a | n/a | n/a |
| Explore | n/a | 0GX | {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone | Organic compounds | Alkaloids and derivatives | Tropane alkaloids | Phenyltropanes |