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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
ExploreDB01264017(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATEOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzenesulfonamides
Exploren/a0182-nitro-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)anilineOrganic compoundsBenzenoidsBenzene and substituted derivativesTrifluoromethylbenzenes
Exploren/a01A4-Chlorophenacyl-coenzyme AOrganic compoundsLipids and lipid-like moleculesS-alkyl-CoAsn/a
Exploren/a01B(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acidOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a01E(2S)-2-(3,3-dimethylbutanoylamino)-N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]- 1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a01Fethyl hydrogen carbonateOrganic compoundsOrganic acids and derivativesOrganic carbonic acids and derivativesCarbonic acid monoesters
Exploren/a01G8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate)Organic compoundsNucleosides, nucleotides, and analoguesPurine nucleotidesPurine ribonucleotides
Exploren/a01Inaphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acidOrganic compoundsOrganoheterocyclic compoundsNaphthofuransn/a
Exploren/a01K[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphateOrganic compoundsLipids and lipid-like moleculesS-alkyl-CoAsn/a
Exploren/a01PN~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamineOrganic compoundsOrganoheterocyclic compoundsOxazinanesMorpholines
Exploren/a01SN-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alanylglycinamideOrganic compoundsOrganic acids and derivativesPeptidomimeticsHybrid peptides
Exploren/a01T[5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acidOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPhenylpyridines
Exploren/a020N-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)anilineOrganic compoundsBenzenoidsBenzene and substituted derivativesTrifluoromethylbenzenes
ExploreDB122060223-{1-(4-carbamoyl-2-methylphenyl)-5-[4-(1H-imidazol-1-yl)phenyl]-1H-pyrrol-2-yl}propanoic acidOrganic compoundsOrganoheterocyclic compoundsAzolesImidazoles
Exploren/a023N^2^-[(2R)-2-{(1S)-1-[FORMYL(HYDROXY)AMINO]ETHYL}-5-PHENYLPENTANOYL]-N,3-DIMETHYL-L-VALINAMIDEOrganic compoundsOrganic acids and derivativesPeptidomimeticsHybrid peptides
ExploreDB068290244-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACIDOrganic compoundsOrganoheterocyclic compoundsThiophenesThiophene carboxylic acids and derivatives
Exploren/a0277-(4-methylpiperazin-1-yl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2H)-oneOrganic compoundsOrganoheterocyclic compoundsDiazinanesPiperazines
ExploreDB06830028(1-HYDROXYHEPTANE-1,1-DIYL)BIS(PHOSPHONIC ACID)Organic compoundsOrganic acids and derivativesOrganic phosphonic acids and derivativesBisphosphonates
Exploren/a02A(2S)-azetidine-2-carboxylic acidOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a02N1-(4-methylphenyl)methanamineOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylmethylamines
Exploren/a02PD-phenylalanyl-N-[(4-chloro-1-methylpyridinium-2-yl)methyl]-L-prolinamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a02Q3-(2-methylphenyl)propanoic acidOrganic compoundsPhenylpropanoids and polyketidesPhenylpropanoic acidsn/a
Exploren/a02S4-(benzyloxy)benzoic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a02U14-methylhexadec-9-enoic acidOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acids and conjugates
Exploren/a02Z4-amino-2-(phenylamino)-1,3-thiazole-5-carboxamideOrganic compoundsOrganoheterocyclic compoundsAzolesThiazoles
Exploren/a031(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamateOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylbutylamines
ExploreDB08881032N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamideOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compounds
Exploren/a033N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]-1,1'-BIPHENYL-4-YL}SULFONYL)-L-VALINEOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0345-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-2-carboxylic acidOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndolecarboxylic acids and derivatives
Exploren/a035(2S)-2,7-bis(phosphonooxy)heptanoic acidOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acids and conjugates
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