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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/a0WEN-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamideOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesNaphthyridines
Exploren/a0WF1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-oneOrganic compoundsOrganoheterocyclic compoundsPyrazolopyrimidinesPyrazolo[3,4-d]pyrimidines
Exploren/a0WG7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dioneOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPhenylpyridines
Exploren/a0WH1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanoneOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesPhenylacetylindoles
Exploren/a0WK1,5-anhydro-6-O-phosphono-D-glucitolOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugates
Exploren/a0WL1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-oneOrganic compoundsOrganoheterocyclic compoundsPyrazolopyrimidinesPyrazolo[3,4-d]pyrimidines
ExploreDB089160WM(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamideOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a0WNN-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamideOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a0WO(2R,4S)-2-[(R)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acidOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0WP3-{[3-(2-cyanopropan-2-yl)benzoyl]amino}-2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0WQZ-2-(3-bromophenyl) propanal oximen/an/an/an/a
Exploren/a0WR2-[1-({2-[2-(dimethylamino)-1H-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9H-purin-8-yl}methyl)piperidin-4-yl]propan-2-olOrganic compoundsOrganoheterocyclic compoundsImidazopyrimidinesPurines and purine derivatives
Exploren/a0WS2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acidOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPyridinecarboxylic acids and derivatives
Exploren/a0WT(1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amineOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsEthers
Exploren/a0WU(5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-oneOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoids
Exploren/a0WV2-methyl-5-(prop-1-en-2-yl)phenolOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylpropenes
Exploren/a0WW4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(thiophen-2-ylmethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-oneOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a0WX4-{2-[(cyclohexylmethyl)amino]ethyl}-2-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-oneOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a0WY6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-[(2-phenylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-oneOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a0X02-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2,4-dimethylpentan-3-yl)ethanamideOrganic compoundsBenzenoidsBenzene and substituted derivativesToluenes
Exploren/a0X1(5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphateOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPyridoxamines
Exploren/a0X22,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
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
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