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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/a0T34-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrileOrganic compoundsOrganoheterocyclic compoundsImidazopyridinesn/a
Exploren/a0T43-(hydroxyamino)-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a0T53-nitro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a0T61-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazineOrganic compoundsOrganoheterocyclic compoundsAzolesImidazoles
Exploren/a0T73,4-dimethyl-1-propyl-7-(quinolin-2-ylmethoxy)imidazo[1,5-a]quinoxalineOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a0T84-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{[2-(pyridin-4-yl)ethyl]amino}pyrimidine-5-carboxamideOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrimidines and pyrimidine derivatives
Exploren/a0T9(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2S,6S)-6-methyl-3-oxooctan-2-yl]-1,2,3,4,7,8,9,10,11,12,13,14,15,17-tetradecahydro-16H-cyclopenta[a]phenanthren-16-oneOrganic compoundsLipids and lipid-like moleculesSteroids and steroid derivativesBile acids, alcohols and derivatives
Exploren/a0TA2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-oneOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPyrazolylpyridines
Exploren/a0TB2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8H)-oneOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesBipyridines and oligopyridines
Exploren/a0TEchloro{methyl hydrogenato(3-)-kappa~2~N,S [pyridin-2-yl(pyridin-2(1H)-ylidene-kappaN)methyl]carbonodithiohydrazonate}copperOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesHydropyridines
Exploren/a0TFN~6~-D-ornithyl-L-lysineOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0TK(2R)-2,5-diaminopentanoyl dihydrogen phosphateOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0TL[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphaten/an/an/an/a
Exploren/a0TM2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamideOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrimidines and pyrimidine derivatives
Exploren/a0TON-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amineOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a0TP4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamideOrganic compoundsOrganoheterocyclic compoundsOxazinanesMorpholines
Exploren/a0TQ(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamateOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylbutylamines
Exploren/a0TR2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONEOrganic compoundsHydrocarbon derivativesTroponesTropolones
Exploren/a0TT1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dioneOrganic compoundsNucleosides, nucleotides, and analoguesPyrimidine nucleosidesPyrimidine 2'-deoxyribonucleosides
Exploren/a0TU6-chloroquinolin-2(1H)-oneOrganic compoundsOrganoheterocyclic compoundsQuinolines and derivativesQuinolones and derivatives
Exploren/a0TX(4S)-N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamineOrganic compoundsOrganoheterocyclic compoundsQuinolines and derivativesAminoquinolines and derivatives
Exploren/a0TZ3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amineOrganic compoundsOrganoheterocyclic compoundsImidazopyridinesn/a
Exploren/a0UL-URIDINE-5'-MONOPHOSPHATEOrganic compoundsNucleosides, nucleotides, and analoguesPyrimidine nucleotidesPyrimidine ribonucleotides
Exploren/a0U03-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-2-amineOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrimidines and pyrimidine derivatives
Exploren/a0U3N-hydroxy-2-{4-[3-(4-{[(2S)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamideOrganic compoundsBenzenoidsBenzene and substituted derivativesDiphenylmethanes
Exploren/a0U4N-[(2S,3R)-4-{[2-(1-benzylpiperidin-4-yl)ethyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoic acids and derivatives
Exploren/a0U5(2E)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-oneOrganic compoundsPhenylpropanoids and polyketidesCinnamic acids and derivativesn/a
Exploren/a0U6(2E)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-oneOrganic compoundsPhenylpropanoids and polyketidesCinnamic acids and derivativesn/a
Exploren/a0U73-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluorideOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzenesulfonyl compounds
Exploren/a0U8(1R,4R,5S,6S,7R,10R,11S,12S)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrolOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugates
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