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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
ExploreDB038651326-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINEOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndoles
ExploreDB068551336-FLUORO-2-(2-HYDROXY-3-ISOBUTOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINEOrganic compoundsOrganoheterocyclic compoundsBenzimidazolesPhenylbenzimidazoles
ExploreDB068561346-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINEOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndoles
Exploren/a135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-BENZAMIDEOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
ExploreDB06857136N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2-HYDROXY-3-IODO-5-METHYL-BENZAMIDEOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
ExploreDB035431371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATEOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
ExploreDB02794138N-[5'-O-PHOSPHONO-RIBOFURANOSYL]-2-[2-HYDROXY-2-[4-[GLUTAMIC ACID]-N-CARBONYLPHENYL]-3-[2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL]-PROPANYLAMINO]-ACETAMIDEOrganic compoundsNucleosides, nucleotides, and analoguesGlycinamide ribonucleotidesn/a
Exploren/a139ADENOSINE-5'-[TRIHYDROGEN DIPHOSPHATE] P'-3'-ESTER WITH 2'-DEOXYURIDINEOrganic compoundsNucleosides, nucleotides, and analogues(3'->5')-dinucleotides and analogues(3'->5')-dinucleotides
Exploren/a13A7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN-2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-4S-ONEOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugates
Exploren/a13C(5E)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-2-BENZAZACYCLOTETRADECINE-1,11(2H,12H)-DIONEOrganic compoundsPhenylpropanoids and polyketidesMacrolactamsn/a
Exploren/a13D1,3-DIAMINOPROPANEOrganic compoundsOrganic nitrogen compoundsOrganonitrogen compoundsAmines
Exploren/a13F3-methyl-2-oxo-N-phenyl-1,2,3,4-tetrahydroquinazoline-6-sulfonamideOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a13I(E)-ETHYL 13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDROBENZO[C][1]AZACYCLOTETRADECINE-10-CARBOXYLATEOrganic compoundsBenzenoidsPhenols1-hydroxy-2-unsubstituted benzenoids
Exploren/a13J3-{4-amino-1-[(3S)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a13KN~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamineOrganic compoundsBenzenoidsBenzene and substituted derivativesMethoxybenzenes
Exploren/a13L3-{4-amino-1-[(3R)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a13M(2S)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acidOrganic compoundsBenzenoidsPyrenesn/a
Exploren/a13N(5E,10R)-N-BENZYL-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDRO-2-BENZAZACYCLOTETRADECINE-10-CARBOXAMIDEOrganic compoundsPhenylpropanoids and polyketidesMacrolactamsn/a
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
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