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PDB Ligand Accession

Browse small molecules by PDB ligand accession and use Explore to open matching proteins.

37373 molecules found
DrugDomain DataDrugBank IDPDB LigandLigand NameKingdomSuperclassClassSubclass
Exploren/a0O2guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate)Organic compoundsNucleosides, nucleotides, and analoguesPurine nucleotidesPurine ribonucleotides
Exploren/a0O33-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphateOrganic compoundsLipids and lipid-like moleculesPrenol lipidsIsoprenoid phosphates
Exploren/a0O44-(isoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamideOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPhenylpyridines
Exploren/a0O54-(3-methylisoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamideOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPhenylpyridines
Exploren/a0O6(3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide]Organic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0O78-(4-ethylphenyl)-5-methyl-2,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxideOrganic compoundsOrganoheterocyclic compoundsBenzothiazinesn/a
Exploren/a0O8(1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphateOrganic compoundsOrganic acids and derivativesOrganic phosphoric acids and derivativesPhosphate esters
Exploren/a0O9(2S)-2-methoxy-3-(octadecyloxy)propyl (1R,2R,3R,4S,6S)-2,3,4-trihydroxy-6-(2-methylpropoxy)cyclohexyl hydrogen (S)-phosphateOrganic compoundsLipids and lipid-like moleculesGlycerophospholipidsn/a
Exploren/a0OA(1R,2S,3R,4S,6S)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen (S)-phosphateOrganic compoundsLipids and lipid-like moleculesGlycerophospholipidsn/a
Exploren/a0OCN,N-dimethylthiophene-3-sulfonamideOrganic compoundsOrganic acids and derivativesOrganic sulfonic acids and derivativesOrganosulfonic acids and derivatives
Exploren/a0ODtrichloro{(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-[2-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)ethyl]cyclopentadienyl}rhodium(1+)Organic compoundsOrganoheterocyclic compoundsThiolanesn/a
Exploren/a0OE4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acidOrganic compoundsOrganoheterocyclic compoundsAzolesPyrazoles
Exploren/a0OF(3S)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dioneOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPhenylpyridines
Exploren/a0OG3-{5-[3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl]-1-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1H-benzimidazol-2-yl}-4-hydroxybenzoic acidOrganic compoundsOrganoheterocyclic compoundsBenzimidazolesPhenylbenzimidazoles
Exploren/a0OHNorth-methanocarba-2'-deoxyadenosine triphosphateOrganic compoundsNucleosides, nucleotides, and analoguesNucleoside and nucleotide analoguesCyclopentyl nucleosides
Exploren/a0OIN-(2-fluorophenyl)-N'-methylureaOrganic compoundsBenzenoidsBenzene and substituted derivativesN-phenylureas
Exploren/a0OJSouth-methanocarba-2'-deoxyadenosine triphosphateOrganic compoundsNucleosides, nucleotides, and analoguesNucleoside and nucleotide analoguesCyclopentyl nucleosides
Exploren/a0OK3-phenylquinazolin-4(3H)-oneOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a0OLphenyl(piperidin-1-yl)methanoneOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoyl derivatives
ExploreDB157640OMbenzyl pyridine-3-carboxylateOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzyloxycarbonyls
Exploren/a0ONN-phenylpyridine-3-carboxamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0OO(3-phenoxyphenyl)methanolOrganic compoundsBenzenoidsBenzene and substituted derivativesDiphenylethers
Exploren/a0OP[3-(benzyloxy)phenyl]methanolOrganic compoundsBenzenoidsPhenol ethersn/a
Exploren/a0OQ(1R,5S)-3-[4-(trifluoromethyl)benzoyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-oneOrganic compoundsOrganoheterocyclic compoundsPiperidinesN-acylpiperidines
Exploren/a0ORN~3~-[(2R)-2-hydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alaninamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0OS{3-[(1S)-1-[({(2S)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acidOrganic compoundsPhenylpropanoids and polyketidesLinear 1,3-diarylpropanoidsn/a
Exploren/a0OT2-({3-[(3,5-dibromo-2-ethoxybenzyl)amino]propyl}amino)quinolin-4(1H)-oneOrganic compoundsOrganoheterocyclic compoundsQuinolines and derivativesAminoquinolines and derivatives
Exploren/a0OU2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1H)-oneOrganic compoundsOrganoheterocyclic compoundsQuinolines and derivativesAminoquinolines and derivatives
Exploren/a0OV[4-amino-2-{[(1S,2R)-2-methylcyclohexyl]oxy}-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]acetonitrileOrganic compoundsOrganoheterocyclic compoundsPyridopyrimidinesPyrido[2,3-d]pyrimidines
Exploren/a0OW4-amino-2-(cyclopentyloxy)-6-{[(1R,2S)-2-hydroxycyclopentyl]oxy}pyrimidine-5-carboxamideOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrimidines and pyrimidine derivatives
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