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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/a0Y15'-{[(3S)-3-amino-3-carboxypropyl][2-(1H-indol-3-yl)ethyl]amino}-5'-deoxyadenosineOrganic compoundsNucleosides, nucleotides, and analogues5'-deoxyribonucleosidesn/a
Exploren/a0Y25'-{[(3S)-3-amino-3-carboxypropyl][2-(1-benzothiophen-3-yl)ethyl]amino}-5'-deoxyadenosineOrganic compoundsNucleosides, nucleotides, and analogues5'-deoxyribonucleosidesn/a
Exploren/a0Y3N,N'-bis(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamideOrganic compoundsBenzenoidsBenzene and substituted derivativesBiphenyls and derivatives
Exploren/a0Y4N-[5-({3-cyano-7-[(1-methyl-1H-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0Y54-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]benzoic acidOrganic compoundsOrganoheterocyclic compoundsPiperidinesBenzylpiperidines
Exploren/a0Y7{(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acidOrganic compoundsPhenylpropanoids and polyketidesStilbenesn/a
Exploren/a0YB2-(3-bromophenoxy)-4-{(1R)-3,3-dimethyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesDiphenylethers
Exploren/a0YH1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(4-methoxy-2-methylphenyl)-1H-pyrazol-5-yl]ureaOrganic compoundsOrganoheterocyclic compoundsAzolesPyrazoles
Exploren/a0YI3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamideOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrazines
Exploren/a0YJ7-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)-N-(propan-2-yl)-1H-indole-2-carboxamideOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndolecarboxylic acids and derivatives
ExploreDB163040YK7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxideOrganic compoundsBenzenoidsPhenol ethersn/a
Exploren/a0YN2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethanolOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrimidines and pyrimidine derivatives
Exploren/a0YO2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-oneOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrimidines and pyrimidine derivatives
Exploren/a0YPN-[(1E)-1-bromo-1-(2-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-nitrobenzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a0YQ2,2'-[(2-{[2-({[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)ethyl]amino}-2-oxoethyl)imino]diacetic acid (non-preferred name)Organic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0YR(2R,3R,4R)-N,2,3,4,5-pentakis(oxidanyl)pentanamideOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugates
Exploren/a0YS(5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-{(2S)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-L-prolineOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a0YT2-acetamido-2-deoxy-5-thio-beta-D-glucopyranoseOrganic compoundsOrganoheterocyclic compoundsThianesn/a
Exploren/a0YUN~4~-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N~1~-[4-(1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0YV2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamineOrganic compoundsPhenylpropanoids and polyketidesDiarylheptanoidsLinear diarylheptanoids
Exploren/a0YW2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0YX(5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acidOrganic compoundsBenzenoidsPhenol ethersn/a
Exploren/a0YY(2Z)-2-hydroxy-4-[4-(octyloxy)phenyl]-4-oxobut-2-enoic acidOrganic compoundsBenzenoidsPhenol ethersn/a
Exploren/a0YZ(2Z)-4-[3-(decyloxy)phenyl]-2-hydroxy-4-oxobut-2-enoic acidOrganic compoundsBenzenoidsPhenol ethersn/a
Exploren/a0Z0N-(trifluoroacetyl)-L-phenylalanyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0Z16-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-prolinamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0Z2N-(trifluoroacetyl)-L-leucyl-N-[4-(trifluoromethyl)phenyl]-L-alaninamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0Z36-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-phenylalaninamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0Z46-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-leucinamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0Z6D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
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