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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/a0U5(2E)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-oneOrganic compoundsPhenylpropanoids and polyketidesCinnamic acids and derivativesn/a
Exploren/a0U6(2E)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-oneOrganic compoundsPhenylpropanoids and polyketidesCinnamic acids and derivativesn/a
Exploren/a0U73-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluorideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzenesulfonyl compounds
Exploren/a0U8(1R,4R,5S,6S,7R,10R,11S,12S)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrolOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugates
Exploren/a0U9S-bicalutamideOrganic compoundsBenzenoidsBenzene and substituted derivativesTrifluoromethylbenzenes
Exploren/a0UA3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluorideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzenesulfonyl compounds
Exploren/a0UC4-bromo-3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluorideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzenesulfonyl compounds
Exploren/a0UDN-[2,6-di(propan-2-yl)phenyl]-N'-(N-ethylcarbamimidoyl)ureaOrganic compoundsBenzenoidsBenzene and substituted derivativesN-phenylureas
Exploren/a0UEFerrioxamine BOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty amides
Exploren/a0UF3-[(2E)-2-[(2Z)-4-(1,3-dibutyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)but-2-en-1-ylidene]-1,3-benzoxazol-3(2H)-yl]propane-1-sulfonic acidOrganic compoundsOrganoheterocyclic compoundsBenzoxazolinesn/a
Exploren/a0UI8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-onen/an/an/an/a
Exploren/a0UJN-({1-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamideOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoids
Exploren/a0UK3-[(1R,2R,3R,5R,6S,7R,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-hydroxy-2-oxoethyl)-3,12,17-tris(3-hydroxy-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,12,17,22-octahydrocorrin-7-yl]propanoic acidOrganic compoundsOrganoheterocyclic compoundsTetrapyrroles and derivativesn/a
Exploren/a0UL6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amineOrganic compoundsOrganoheterocyclic compoundsTriazolopyrazinesn/a
Exploren/a0UM(2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acidOrganic compoundsNucleosides, nucleotides, and analogues5'-deoxyribonucleosidesn/a
Exploren/a0UNN-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamideOrganic compoundsOrganoheterocyclic compoundsDiazinanesPiperazines
Exploren/a0UP4-{[(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-2,2-dioxido-2-thia-1,3,8-triazaspiro[4.5]dec-8-yl]methyl}-2-(propan-2-yloxy)phenolOrganic compoundsOrganoheterocyclic compoundsPiperidinesBenzylpiperidines
Exploren/a0UQ(5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxideOrganic compoundsOrganoheterocyclic compoundsPiperidinesBenzylpiperidines
Exploren/a0URSiphoneinn/an/an/an/a
Exploren/a0USN-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzenesulfonamides
Exploren/a0UThydroxy(diphenyl)acetic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesDiphenylmethanes
Exploren/a0UUmethyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylateOrganic compoundsOrganoheterocyclic compoundsBenzimidazolesn/a
Exploren/a0UV4-fluoro-N-{(2E)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2H-benzimidazol-2-ylidene}benzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a0UW5-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-oneOrganic compoundsOrganoheterocyclic compoundsAzolesTriazoles
Exploren/a0UX6-amino-2-(methylamino)-4-(2-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl]amino}ethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-oneOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a0V0(2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminiumOrganic compoundsOrganoheterocyclic compoundsIsoquinolines and derivativesn/a
Exploren/a0V1(2~{S})-butane-1,2,4-triolOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsAlcohols and polyols
Exploren/a0V26-amino-4-[2-({[trans-4-(biphenyl-4-ylethynyl)cyclohexyl]methyl}amino)ethyl]-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-oneOrganic compoundsBenzenoidsBenzene and substituted derivativesBiphenyls and derivatives
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
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