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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/a0J0(3-exo)-8,8-dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octaneOrganic compoundsOrganoheterocyclic compoundsQuinolines and derivativesHydroquinolines
Exploren/a0J1(2R)-3-{[(R)-hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dinonanoateOrganic compoundsLipids and lipid-like moleculesGlycerophospholipidsGlycerophosphoinositol phosphates
Exploren/a0J2(3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acidOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrimidines and pyrimidine derivatives
Exploren/a0J33-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amineOrganic compoundsOrganoheterocyclic compoundsDiazinanesPiperazines
Exploren/a0J4(2R)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acidOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrimidines and pyrimidine derivatives
Exploren/a0J5(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)acetic acidOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrimidines and pyrimidine derivatives
Exploren/a0J6N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0J73-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0J8N-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amineOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPyrazolylpyridines
Exploren/a0J91-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineOrganic compoundsBenzenoidsNaphthalenesn/a
Exploren/a0JA2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0JBN-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0JCDi-mu-iodobis(ethylenediamine)diplatinum(II)Organic compoundsOrganic saltsOrganic metal saltsOrganic metal halides
Exploren/a0JD(2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acidOrganic compoundsOrganoheterocyclic compoundsBenzodioxanesBenzo-1,4-dioxanes
Exploren/a0JE3-[5-(5-ethoxy-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,1-diethylureaOrganic compoundsOrganoheterocyclic compoundsBenzimidazolesn/a
Exploren/a0JF(3S)-N-(4-methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAniline and substituted anilines
Exploren/a0JGmethyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoateOrganic compoundsOrganoheterocyclic compoundsPyrrolesSubstituted pyrroles
Exploren/a0JHtert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoateOrganic compoundsOrganoheterocyclic compoundsPyrrolesSubstituted pyrroles
Exploren/a0JI5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acidOrganic compoundsOrganoheterocyclic compoundsAzolesTriazoles
Exploren/a0JJ7-methoxy-N-{[6-(3-methyl-1,2-thiazol-5-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}-1,5-naphthyridin-4-amineOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesNaphthyridines
Exploren/a0JK5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-oneOrganic compoundsOrganoheterocyclic compoundsQuinolines and derivativesn/a
Exploren/a0JL3-{(1S)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-oneOrganic compoundsOrganoheterocyclic compoundsQuinolines and derivativesn/a
Exploren/a0JM(2S,5R,6R,7R)-6-{[(2R)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbo xylic acidOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0JN1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineOrganic compoundsBenzenoidsNaphthalenesn/a
Exploren/a0JO2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acidOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0JP8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinolineOrganic compoundsBenzenoidsPhenol ethersAnisoles
Exploren/a0JQ2-{1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methylpyridin-2-yl]piperidin-4-yl}propan-2-olOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a0JR(2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}butanamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a0JS8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N}-butyl-~{N}-(cyclopropylmethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-aminen/an/an/an/a
Exploren/a0JVmethyl N-[(3S,3aR,5R,6aR)-5-[[(2S,3R)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamoyloxy]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]carbamateOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylbutylamines
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