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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/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
Exploren/a0JX(3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphateOrganic compoundsOrganic oxygen compoundsOrganic oxoanionic compoundsOrganic pyrophosphates
Exploren/a0JZ(4R,11R,18R)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trioneOrganic compoundsPhenylpropanoids and polyketidesMacrolactamsn/a
Exploren/a0K03-amino-6-{3-[(methylsulfonyl)amino]phenyl}-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamideOrganic compoundsBenzenoidsBenzene and substituted derivativesSulfanilides
Exploren/a0K13-amino-6-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-[(1R,2r,3S,5s,7s)-5-hydroxyadamantan-2-yl]pyrazine-2-carboxamideOrganic compoundsOrganoheterocyclic compoundsAzolesPyrazoles
Exploren/a0K24-oxobutyl trihydrogen diphosphateOrganic compoundsOrganic oxygen compoundsOrganic oxoanionic compoundsOrganic pyrophosphates
Exploren/a0K3(2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl dihydrogen phosphateOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTetraterpenoids
Exploren/a0K5(5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphateOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPyridoxamines
Exploren/a0K67-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-3-yl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamideOrganic compoundsOrganoheterocyclic compoundsDiazinesPyrimidines and pyrimidine derivatives
Exploren/a0K72-(4-methylphenyl)-1,3-thiazole-4-carboxylic acidOrganic compoundsOrganoheterocyclic compoundsAzolesThiazoles
Exploren/a0K9(2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamideOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylbutylamines
Exploren/a0KASILVER/IRON/SULFUR CLUSTERn/an/an/an/a
Exploren/a0KB[2-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesTrifluoromethylbenzenes
Exploren/a0KC{2-[2-(cyclopentylamino)-2-oxoethoxy]phenyl}phosphonic acidOrganic compoundsBenzenoidsPhenol ethersn/a
Exploren/a0KDN-(pyridin-3-yl)-2-(thiophen-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamideOrganic compoundsOrganoheterocyclic compoundsImidazopyridinesn/a
Exploren/a0KE(5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphateOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPyridoxamines
Exploren/a0KFN-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0KG{2-[2-(cyclohexylamino)-2-oxoethoxy]phenyl}phosphonic acidOrganic compoundsBenzenoidsPhenol ethersn/a
Exploren/a0KH(2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acidOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a0KI7-chloranyl-5-ethyl-3-(3-hydroxy-3-oxopropyl)-1H-indole-2-carboxylic acidn/an/an/an/a
Exploren/a0KJ[(2S)-5-oxopyrrolidin-2-yl]methyl [(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamateOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylbutylamines
Exploren/a0KK(2E)-2-imino-3-methyl-5,5-diphenylimidazolidin-4-oneOrganic compoundsBenzenoidsBenzene and substituted derivativesDiphenylmethanes
Exploren/a0KL5-(5-aminopent-1-yn-1-yl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)Organic compoundsNucleosides, nucleotides, and analoguesPyrimidine nucleotidesPyrimidine deoxyribonucleotides
Exploren/a0KM(2E,5R)-2-imino-5-(3'-methoxybiphenyl-3-yl)-3-methyl-5-phenylimidazolidin-4-oneOrganic compoundsBenzenoidsBenzene and substituted derivativesDiphenylmethanes
Exploren/a0KN(2R)-N-[(2S,3R)-1-(1,3-benzodioxol-5-yl)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxybutan-2-yl]-2-methoxypropanamideOrganic compoundsOrganoheterocyclic compoundsPyranopyridinesn/a
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