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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/a0X3N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amineOrganic compoundsOrganoheterocyclic compoundsBenzoxadiazolesn/a
Exploren/a0X52,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a0X62,6-dichloro-4-cyano-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a0X73-[(2-methylphenyl)methylamino]pyrazine-2-carboxamideOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrazines
Exploren/a0X8(~{E})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acidn/an/an/an/a
Exploren/a0X9N~2~-sulfamoyl-L-arginineOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0XA(4S,8E)-4-[(1R)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dioneOrganic compoundsPhenylpropanoids and polyketidesMacrolactamsn/a
Exploren/a0XBN-(3-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amineOrganic compoundsOrganoheterocyclic compoundsBenzoxadiazolesn/a
Exploren/a0XE5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acidOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsFlavonoid glycosides
Exploren/a0XF6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesCarboxylic acid derivatives
Exploren/a0XG5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a0XH2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a0XI(2E)-3-phenylbut-2-en-1-yl dihydrogen phosphaten/an/an/an/a
Exploren/a0XJ(6alpha,8alpha)-6-(pent-2-yn-1-yloxy)androsta-1,4-diene-3,17-dioneOrganic compoundsLipids and lipid-like moleculesSteroids and steroid derivativesAndrostane steroids
Exploren/a0XP2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a0XRethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoateOrganic compoundsPhenylpropanoids and polyketidesCinnamic acids and derivativesHydroxycinnamic acids and derivatives
Exploren/a0XS2-amino-6-bromo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxamideOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesNaphthyridines
Exploren/a0XT7-methoxy-6-methylpteridine-2,4-diamineOrganic compoundsOrganoheterocyclic compoundsPteridines and derivativesn/a
Exploren/a0XU(2S,5S,6E)-2,5-diamino-6-[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxydihydrofuran-2(3H)-ylidene]hexanoic acidOrganic compoundsOrganoheterocyclic compoundsImidazopyrimidinesPurines and purine derivatives
Exploren/a0XV(4-hydroxy-3,5-dimethylphenyl)(2-methyl-1-benzofuran-3-yl)methanoneOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compounds
Exploren/a0XW(2S,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylateOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0XXN-(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-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/a0XY5-fluoro-N-acetyl-alpha-D-glucosamineOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugates
ExploreDB122180XZ4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0Y05'-{[(3S)-3-amino-3-carboxypropyl]amino}-5'-deoxyadenosineOrganic compoundsNucleosides, nucleotides, and analogues5'-deoxyribonucleosidesn/a
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
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