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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/a0V36-amino-2-(methylamino)-4-[2-({[trans-4-(pyridin-3-ylethynyl)cyclohexyl]methyl}amino)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-oneOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a0V4(4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranosideOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTerpene glycosides
ExploreDB017330V5(2R)-2-(phosphonooxy)propanoic acidOrganic compoundsOrganic acids and derivativesOrganic phosphoric acids and derivativesPhosphate esters
Exploren/a0V6(2Z,6S)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1H)-oneOrganic compoundsOrganoheterocyclic compoundsThiophenes2,3,5-trisubstituted thiophenes
Exploren/a0V72-[(3-fluorobenzyl)amino]ethanesulfonic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylmethylamines
Exploren/a0V82-[(3-bromobenzyl)amino]ethanesulfonic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylmethylamines
Exploren/a0V9(19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoateOrganic compoundsLipids and lipid-like moleculesGlycerophospholipidsGlycerophosphoethanolamines
Exploren/a0VAN-[N-(4-amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamideOrganic compoundsOrganoheterocyclic compoundsAzolesThiazoles
Exploren/a0VBN-{N-[4-(acetylamino)-3-chloro-5-methylbenzyl]carbamimidoyl}-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0VC3-[(2S)-azetidin-2-ylmethoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridineOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsEthers
Exploren/a0VD(3S)-3-amino-1-[4-(benzyloxy)phenyl]-4-(1H-imidazol-4-yl)butan-2-oneOrganic compoundsBenzenoidsPhenol ethersn/a
Exploren/a0VE3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenolOrganic compoundsOrganoheterocyclic compoundsImidazopyrazinesn/a
Exploren/a0VF4-{[(3S)-1-{7-[(3,4-dimethoxyphenyl)amino][1,3]thiazolo[5,4-d]pyrimidin-5-yl}pyrrolidin-3-yl]carbamoyl}benzoic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesMethoxybenzenes
Exploren/a0VGN-{6-[(2S)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amineOrganic compoundsOrganoheterocyclic compoundsDiazinesPyridazines and derivatives
Exploren/a0VH6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(6-ethylpyridin-2-yl)amino]pyridazine-3-carboxamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesCarboxylic acid derivatives
Exploren/a0VI7-(4-bromanyl-2,6-dimethoxy-phenyl)-4,8-dimethyl-~{N},~{N}-bis[4,4,4-tris(fluoranyl)butyl]-1$l^{4},3,5,9-tetrazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-2-aminen/an/an/an/a
Exploren/a0VJ2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dioneOrganic compoundsBenzenoidsNaphthalenesNaphthoquinones
Exploren/a0VK3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-methyl-2-propylbiphenyl-4-yl)pentan-3-olOrganic compoundsBenzenoidsBenzene and substituted derivativesBiphenyls and derivatives
Exploren/a0VLbenzyl {2-[(5S)-5-hydroxy-4-oxo-6-{[2-(pyridin-4-yl)ethyl]carbamoyl}-4,5-dihydropyrimidin-2-yl]propan-2-yl}carbamaten/an/an/an/a
Exploren/a0VM2-[(4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]-1H-benzimidazole-6-carbonitrileOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsEthers
Exploren/a0VN2-[(4-tert-butylphenyl)amino]-1H-benzimidazole-6-carbonitrileOrganic compoundsOrganoheterocyclic compoundsBenzimidazolesn/a
Exploren/a0VO(4E,6Z)-7-(3-{[3,4-bis(hydroxymethyl)benzyl]oxy}phenyl)-3-ethylnona-4,6-dien-3-olOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylpropanes
Exploren/a0VP3-(5'-{[3,4-bis(hydroxymethyl)benzyl]oxy}-2'-ethyl-2-propylbiphenyl-4-yl)pentan-3-olOrganic compoundsBenzenoidsBenzene and substituted derivativesBiphenyls and derivatives
Exploren/a0VQ(3E,5E)-6-(3-{2-[3,4-bis(hydroxymethyl)phenyl]ethyl}phenyl)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-olOrganic compoundsPhenylpropanoids and polyketidesStilbenesn/a
Exploren/a0VR1-(O-carboxy-phenylamino)-1-deoxy-D-ribulose-5-phosphateOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a0VSL-gamma-glutamyl-S-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-L-cysteinylglycineOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0VT6-methylhept-5-en-2-oneOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compounds
Exploren/a0VU4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoyl derivatives
Exploren/a0VVN-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamideOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a0VWN-(tetrahydropyrimidin-2(1H)-ylidene)sulfuric diamideOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrimidines and pyrimidine derivatives
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