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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
ExploreDB0432613P1,3-DIHYDROXYACETONEPHOSPHATEOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugates
Exploren/a13Q[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acidOrganic compoundsPhenylpropanoids and polyketidesStilbenesn/a
Exploren/a13R13(R)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDOrganic compoundsLipids and lipid-like moleculesFatty AcylsLineolic acids and derivatives
Exploren/a13S13(S)-HYDROPEROXY-9(Z),11(E)-OCTADECADIENOIC ACIDOrganic compoundsLipids and lipid-like moleculesFatty AcylsLineolic acids and derivatives
Exploren/a13T13-DEOXYTEDANOLIDEOrganic compoundsPhenylpropanoids and polyketidesMacrolides and analoguesn/a
ExploreDB0685813UN-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a13V4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl}-2-methylbut-3-yn-2-olOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndoles
Exploren/a13W3-{5-[(2E,4S)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrileOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzonitriles
ExploreDB1294413Xbenzene-1,3,5-triolOrganic compoundsBenzenoidsPhenolsBenzenetriols and derivatives
Exploren/a13Y2-(3-chlorophenoxy)-4-{(1R)-3-methyl-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/a13Z2-[(2-{(2S,4S)-2-[(R)-(5-tert-butyl-1,3,4-oxadiazol-2-yl)(hydroxy)methyl]-4-fluoropyrrolidin-1-yl}-2-oxoethyl)amino]-2-methylpropan-1-olOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
ExploreDB03440140N-PALMITOYLGLYCINEOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
ExploreDB05262141OxypurinolOrganic compoundsOrganoheterocyclic compoundsImidazopyrimidinesPurines and purine derivatives
ExploreDB00190142CARBIDOPAOrganic compoundsPhenylpropanoids and polyketidesPhenylpropanoic acidsn/a
ExploreDB03570144TRIS-HYDROXYMETHYL-METHYL-AMMONIUMOrganic compoundsOrganic nitrogen compoundsOrganonitrogen compoundsQuaternary ammonium salts
ExploreDB019201452-nitrophenyl beta-D-galactopyranosideOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugates
ExploreDB02729146[4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE]Organic compoundsOrganoheterocyclic compoundsBenzimidazolesn/a
ExploreDB026321474-nitrophenyl beta-D-galactopyranosideOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugates
ExploreDB01885149D-galactonolactoneOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugates
ExploreDB0685914AN-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDEOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a14B2-amino-3,5-dimethylbenzoic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
ExploreDB0686014C2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dioneOrganic compoundsOrganoheterocyclic compoundsIsoindoles and derivativesIsoindolines
Exploren/a14D5-methyl-1-[(3S)-1-{3-[3-(trifluoromethyl)phenoxy]benzyl}piperidin-3-yl]pyrimidine-2,4(1H,3H)-dioneOrganic compoundsOrganoheterocyclic compoundsPiperidinesBenzylpiperidines
Exploren/a14F2-amino-4,5-dimethoxybenzoic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a14HN-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamideOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty amides
Exploren/a14Inaphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acidOrganic compoundsOrganoheterocyclic compoundsNaphthofuransn/a
Exploren/a14J5-bromofuran-2-carboxylic acidOrganic compoundsOrganoheterocyclic compoundsFuransFuroic acid and derivatives
Exploren/a14K4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amineOrganic compoundsOrganoheterocyclic compoundsTriazinesAminotriazines
ExploreDB1487514M{(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acidOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPyridinecarboxylic acids and derivatives
Exploren/a14N4-(4-methylpiperazin-1-yl)benzoic acidOrganic compoundsOrganoheterocyclic compoundsDiazinanesPiperazines
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