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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/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
Exploren/a0OX4-amino-2-(cyclopentyloxy)pyrimidine-5-carboxamideOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrimidines and pyrimidine derivatives
Exploren/a0OY(4-hydroxyphenyl)(morpholin-4-yl)methanoneOrganic compoundsOrganoheterocyclic compoundsOxazinanesMorpholines
Exploren/a0P1N-[(benzyloxy)carbonyl]-L-alanyl-N-{(1S)-1-[(R)-[(1R)-1-benzyl-2-methoxy-2-oxoethoxy](hydroxy)phosphoryl]-3-methylbutyl }-L-alaninamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0P2N~2~-[(benzyloxy)carbonyl]-N-[(1R,2S)-1-(dihydroxyboranyl)-2-methylbutyl]-L-alaninamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0P4N-(1H-benzimidazol-2-yl)-N'-(3,5-dichlorobenzyl)propane-1,3-diamineOrganic compoundsOrganoheterocyclic compoundsBenzimidazolesn/a
Exploren/a0P54-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-oneOrganic compoundsOrganoheterocyclic compoundsDiazinanesPiperazines
Exploren/a0P62-aminoquinolin-8-olOrganic compoundsOrganoheterocyclic compoundsQuinolines and derivativesAminoquinolines and derivatives
Exploren/a0P82-({3-[(3,5-dibromo-2-methoxybenzyl)amino]propyl}amino)quinolin-4(1H)-oneOrganic compoundsOrganoheterocyclic compoundsQuinolines and derivativesHydroquinolines
Exploren/a0PAcyclopentylacetic acidOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesCarboxylic acids
Exploren/a0PCNalpha-[(benzyloxy)carbonyl]-N-[(1S)-3-chloro-1-methyl-2-oxopropyl]-L-phenylalaninamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0PF1-ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxideOrganic compoundsOrganoheterocyclic compoundsBenzothiazinesn/a
Exploren/a0PIN-[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-L-leucineOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0PJN-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucyl-L-leucineOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0PKN-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-L-leucyl-L-alanineOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0PL(3S)-3-{4-Chloro-3-[(N-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl)propanoic acidOrganic compoundsPhenylpropanoids and polyketidesPhenylpropanoic acidsn/a
Exploren/a0PON-[(1R)-1-{[(1S,2S)-1-benzyl-3-{(2R,4S)-2-(tert-butylcarbamoyl)-4-[(pyridin-3-ylmethyl)sulfanyl]piperidin-1-yl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]quinoline-2-carboxamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0PP(2S)-2-tert-butyl-N~4~-(1-ethylpropyl)-N~1~-[(2R,3S)-2-hydroxy-4-phenyl-3-{[N-(quinolin-2-ylcarbonyl)-L-threonyl]amino}butyl]butanediamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
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