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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/a069N,3-DIHYDROXYBENZAMIDEOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a06A1-cyclopentyl-6-[[(2R)-1-(6-fluoranyl-2-azaspiro[3.3]heptan-2-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-onen/an/an/an/a
Exploren/a06B3-bromo-2,6-dimethoxybenzoic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a06CIodomethaneOrganic compoundsOrganohalogen compoundsAlkyl halidesHalomethanes
Exploren/a06F1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}ureaOrganic compoundsOrganoheterocyclic compoundsAzolesPyrazoles
Exploren/a06H(6S)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamideOrganic compoundsPhenylpropanoids and polyketidesMacrolactamsn/a
Exploren/a06I5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dioneOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPhenylpyridines
Exploren/a06J(3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamideOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesn/a
Exploren/a06K2,6-bis(chloranyl)-7H-purineOrganic compoundsOrganoheterocyclic compoundsImidazopyrimidinesPurines and purine derivatives
ExploreDB1248006LBetulinic acidOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTriterpenoids
Exploren/a06M6-(but-3-en-1-yl)-4-[6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-onen/an/an/an/a
Exploren/a06N4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenolOrganic compoundsOrganoheterocyclic compoundsAzolesImidazoles
Exploren/a06PD-phenylalanyl-N-[(1-methylpyridinium-4-yl)methyl]-L-prolinamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a06QN-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamiden/an/an/an/a
Exploren/a06R2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-oneOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a06SO-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-[(thiophosphonooxy)methyl]tetrahydrofuran-3-yl}oxy)(sulfanyl)phosphoryl]oxy}methyl)-4-hydroxytetrahydrofuran-3-yl] dihydrogen (S)-phosphorothioateOrganic compoundsNucleosides, nucleotides, and analoguesPyrimidine nucleosidesn/a
Exploren/a06T(5R,6S)-3-(L-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a06U6-ethyl-5-{(3R)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamineOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPhenylpyridines
Exploren/a06V6-ethyl-5-{(3R)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamineOrganic compoundsOrganoheterocyclic compoundsOxazinanesMorpholines
Exploren/a06W6-ethyl-5-{(3S)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamineOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPhenylpyridines
Exploren/a06XAmlodipineOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesHydropyridines
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
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