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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/a06Y2-phenoxyethanoic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenoxyacetic acid derivatives
Exploren/a06Z{4-amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanoneOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compounds
Exploren/a0718-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamideOrganic compoundsOrganoheterocyclic compoundsDiazinanesPiperazines
Exploren/a072(+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-2-HEPTYL-4-OXO-5-THIAZOLIDINEOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylbutylamines
Exploren/a073(4-{(2S,4E)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-[4-(METHOXYCARBONYL)PHENYL]-5-PHENYLPENT-4-ENYL}PHENYL)(DIFLUORO)METHYLPHOSPHONIC ACIDOrganic compoundsPhenylpropanoids and polyketidesStilbenesn/a
ExploreDB02855074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-DIONYL]-ISOLEUCYL-PROLINEOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a075(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-3-(methyl sulfonyl)-L-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamideOrganic compoundsOrganic acids and derivativesPeptidomimeticsHybrid peptides
Exploren/a076(S)-N-((1R,2S)-1-((2R,3R)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a077(3S)-5-biphenyl-4-yl-3-hydroxypentanoic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesBiphenyls and derivatives
Exploren/a079(S)-N-((2S,3S,4R,5R)-4-amino-3,5-dihydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a07Bdimethyl (1S,2S,4S,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylateOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsAlcohols and polyols
Exploren/a07C2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazolineOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a07DTrans-Geranyl BACTERIOCHLOROPHYLL An/an/an/an/a
Exploren/a07E(3S)-3-hydroxybutyl beta-D-xylopyranosideOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugates
Exploren/a07F5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3H)-oneOrganic compoundsBenzenoidsPhenolsHalophenols
Exploren/a07G3-[(1S)-2-(tert-butylamino)-1-{N-[(3,4-difluorophenyl)methyl]formamido}-2-oxoethyl]-6-chloro-1H-indole-2-carboxylic acidOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndolecarboxylic acids and derivatives
Exploren/a07H[4-(2H-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanoneOrganic compoundsOrganoheterocyclic compoundsAzolesPyrazoles
Exploren/a07ISpliceostatin E (form I)Organic compoundsOrganoheterocyclic compoundsPyransPyranones and derivatives
ExploreDB1188607J3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylureaOrganic compoundsOrganoheterocyclic compoundsDiazinanesPiperazines
Exploren/a07K8-methylquinolin-4-amineOrganic compoundsOrganoheterocyclic compoundsQuinolines and derivativesHydroquinolines
Exploren/a07L7-hydroxy-2H-chromen-2-oneOrganic compoundsPhenylpropanoids and polyketidesCoumarins and derivativesHydroxycoumarins
Exploren/a07M8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrileOrganic compoundsOrganoheterocyclic compoundsPyranopyridinesn/a
Exploren/a07N2-[(3S,4R)-4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acidOrganic compoundsOrganoheterocyclic compoundsAzolesThiazoles
Exploren/a07PN-[(2S,3R)-10-[(1R,2R)-2-decylcyclopropyl]-1-(alpha-D-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamideOrganic compoundsLipids and lipid-like moleculesSphingolipidsGlycosphingolipids
Exploren/a07Q1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)ureaOrganic compoundsBenzenoidsPhenol ethersAnisoles
Exploren/a07R1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)ureaOrganic compoundsOrganoheterocyclic compoundsAzolesThiazoles
Exploren/a07S1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanoneOrganic compoundsOrganoheterocyclic compoundsDiazinanesPiperazines
Exploren/a07T6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-oneOrganic compoundsOrganoheterocyclic compoundsThienopyrrolesn/a
Exploren/a07U2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamineOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesBipyridines and oligopyridines
Exploren/a07V(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-oneOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoids
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