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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
ExploreDB02524128SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATEOrganic compoundsNucleosides, nucleotides, and analoguesPurine nucleotidesPurine ribonucleotides
ExploreDB03135129[2(FORMYL-HYDROXY-AMINO)-ETHYL]-PHOSPHONIC ACIDOrganic compoundsOrganic acids and derivativesOrganic phosphonic acids and derivativesOrganic phosphonic acids
Exploren/a12BBENZO[CD]INDOL-2(1H)-ONEOrganic compoundsOrganoheterocyclic compoundsIsoindoles and derivativesIsoindolines
ExploreDB0685212C4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONEOrganic compoundsOrganoheterocyclic compoundsQuinolines and derivativesQuinolones and derivatives
Exploren/a12D2',3'-O-[(1R,6R)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate)Organic compoundsNucleosides, nucleotides, and analoguesPurine nucleotidesPurine ribonucleotides
Exploren/a12EN-{[(2E)-2-(pyridin-4-ylmethylidene)hydrazino]carbonothioyl}-beta-D-glucopyranosylamineOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugates
Exploren/a12F[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3R,3aS)-3-[2-(benzyloxy)-3-fluorophenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphateOrganic compoundsNucleosides, nucleotides, and analoguesFlavin nucleotidesn/a
Exploren/a12G{4-[(2R)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acidOrganic compoundsOrganoheterocyclic compoundsPyrrolinesPhenylpyrrolines
ExploreDB0370412H12-HYDROXYDODECANOIC ACIDOrganic compoundsOrganic acids and derivativesHydroxy acids and derivativesMedium-chain hydroxy acids and derivatives
Exploren/a12I4-(4-METHYLPIPERAZIN-1-YL)QUINAZOLINEOrganic compoundsOrganoheterocyclic compoundsDiazinanesPiperazines
Exploren/a12J2-iodo-N-[3-(1-methylethoxy)phenyl]benzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a12M(2-ETHYLPHENYL)METHANOLOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzyl alcohols
Exploren/a12O(1R,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acidOrganic compoundsOrganoheterocyclic compoundsIsoindoles and derivativesIsoindolines
Exploren/a12PDODECAETHYLENE GLYCOLOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsEthers
ExploreDB0458012Q1-METHYLQUINOLIN-2(1H)-ONEOrganic compoundsOrganoheterocyclic compoundsQuinolines and derivativesQuinolones and derivatives
Exploren/a12R4-(2-phenylhydrazinyl)-1H-pyrazolo[3,4-d]pyrimidineOrganic compoundsOrganoheterocyclic compoundsPyrazolopyrimidinesPyrazolo[3,4-d]pyrimidines
Exploren/a12S6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine)Organic compoundsBenzenoidsBenzene and substituted derivativesPhenylpropylamines
Exploren/a12T2-aminobenzene-1,4-dicarboxylic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
ExploreDB0685312UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a12V(2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphateOrganic compoundsNucleosides, nucleotides, and analoguesPyrimidine nucleotidesPyrimidine ribonucleotides
Exploren/a12Z[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](pyridin-3-yl)methanoneOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPyridinecarboxylic acids and derivatives
ExploreDB017251302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINEOrganic compoundsOrganoheterocyclic compoundsBenzimidazolesPhenylbenzimidazoles
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
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