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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
ExploreDB06834057N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamideOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndolecarboxylic acids and derivatives
Exploren/a0581-benzyl-5-chloro-3-(2-fluorophenyl)-1H-indole-2-carboxylic acidOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndolecarboxylic acids and derivatives
ExploreDB06835059(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACIDOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylmethylamines
Exploren/a05B2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-oneOrganic compoundsOrganoheterocyclic compoundsPyrrolopyridinesn/a
Exploren/a05C7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidinen/an/an/an/a
Exploren/a05DN,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamiden/an/an/an/a
Exploren/a05F4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidinen/an/an/an/a
Exploren/a05G6-hydroxy-5-[(E)-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acidOrganic compoundsBenzenoidsNaphthalenesNaphthalene sulfonic acids and derivatives
Exploren/a05I4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidinen/an/an/an/a
ExploreDB1802805J1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-oneOrganic compoundsOrganoheterocyclic compoundsDiazinanesPiperazines
Exploren/a05Lheptyl 1-seleno-beta-D-glucopyranosideOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugates
Exploren/a05M2,3-dimethoxy-5-methyl-6-[10-(triphenyl-$l^{5}-phosphanyl)decyl]cyclohexa-2,5-diene-1,4-dioneOrganic compoundsLipids and lipid-like moleculesPrenol lipidsQuinone and hydroquinone lipids
Exploren/a05Q6-benzyloxo-2-chloropurineOrganic compoundsOrganoheterocyclic compoundsImidazopyrimidinesPurines and purine derivatives
Exploren/a05R2-(3,4-dichlorophenyl)ethanoic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesHalobenzenes
Exploren/a05S(6S)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamideOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesn/a
ExploreDB1173205X2,4,6-tris(fluoranyl)-N-[6-(1-methylpiperidin-4-yl)carbonylpyridin-2-yl]benzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a05Z6-benzylthio-2-chloropurineOrganic compoundsOrganoheterocyclic compoundsImidazopyrimidinesPurines and purine derivatives
Exploren/a0612-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-3H-QUINAZOLIN-4-ONEOrganic compoundsBenzenoidsBenzene and substituted derivativesBiphenyls and derivatives
Exploren/a0623-AZA-9-HYDROXY-9-FLUORENYLCARBONYL-L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N-OXIDEOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0634'-{[(1R)-6-{2-[2-({N~5~-[N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-N~2~-(tert-butoxycarbonyl)-L-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acidOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0643-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acidOrganic compoundsPhenylpropanoids and polyketidesStilbenesn/a
Exploren/a065(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATEOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylbutylamines
ExploreDB121370666-{[3-(dimethylcarbamoyl)phenyl]sulfonyl}-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamideOrganic compoundsOrganoheterocyclic compoundsQuinolines and derivativesQuinoline carboxamides
Exploren/a067p-(4-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamideOrganic compoundsOrganoheterocyclic compoundsAzolesTriazoles
Exploren/a068(3S)-5-(4'-ACETYLBIPHENYL-4-YL)-3-HYDROXYPENTANOIC ACIDOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compounds
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
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