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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
ExploreDB0684811M1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamineOrganic compoundsOrganoheterocyclic compoundsBenzofuransn/a
ExploreDB0684911N1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamineOrganic compoundsPhenylpropanoids and polyketidesCinnamic acids and derivativesn/a
Exploren/a11O(TRANS-12,13-EPOXY)-11-HYDROXY-9(Z)-OCTADECENOIC ACIDOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acids and conjugates
Exploren/a11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid)Organic compoundsOrganic acids and derivativesOrganic phosphonic acids and derivativesBisphosphonates
Exploren/a11RRUTHENIUM WIRE, 11 CARBON LINKEROrganic compoundsOrganoheterocyclic compoundsPhenanthrolinesn/a
Exploren/a11S5-chloro-1H-indoleOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndoles
ExploreDB0685011U(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a11V1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amineOrganic compoundsOrganoheterocyclic compoundsPyrazolopyrimidinesPyrazolo[3,4-d]pyrimidines
Exploren/a11W(4R)-4-[(2E)-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-L-glutamic acidOrganic compoundsOrganoheterocyclic compoundsAzobenzenesn/a
ExploreDB0685111XN-(pyridin-3-ylmethyl)anilineOrganic compoundsOrganic nitrogen compoundsOrganonitrogen compoundsAmines
Exploren/a11Y5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a11Z11-cyclohexylundecanoic acidOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acids and conjugates
ExploreDB044421202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINEOrganic compoundsOrganoheterocyclic compoundsBenzimidazolesn/a
Exploren/a1212-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINEOrganic compoundsOrganoheterocyclic compoundsBenzimidazolesn/a
ExploreDB022871222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-5-CARBOXAMIDINEOrganic compoundsOrganoheterocyclic compoundsBenzimidazolesPhenylbenzimidazoles
ExploreDB019051232-(2-HYDROXY-5-METHOXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINEOrganic compoundsOrganoheterocyclic compoundsBenzimidazolesPhenylbenzimidazoles
ExploreDB024631242-(2-HYDROXY-PHENYL)-1H-INDOLE-5-CARBOXAMIDINEOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndoles
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
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