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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
ExploreDB1188607J3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylureaOrganic compoundsOrganoheterocyclic compoundsDiazinanesPiperazines
Exploren/a07K8-methylquinolin-4-amineOrganic compoundsOrganoheterocyclic compoundsQuinolines and derivativesHydroquinolines
Exploren/a07L7-hydroxy-2H-chromen-2-oneOrganic compoundsPhenylpropanoids and polyketidesCoumarins and derivativesHydroxycoumarins
Exploren/a07M8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrileOrganic compoundsOrganoheterocyclic compoundsPyranopyridinesn/a
Exploren/a07N2-[(3S,4R)-4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acidOrganic compoundsOrganoheterocyclic compoundsAzolesThiazoles
Exploren/a07PN-[(2S,3R)-10-[(1R,2R)-2-decylcyclopropyl]-1-(alpha-D-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamideOrganic compoundsLipids and lipid-like moleculesSphingolipidsGlycosphingolipids
Exploren/a07Q1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)ureaOrganic compoundsBenzenoidsPhenol ethersAnisoles
Exploren/a07R1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)ureaOrganic compoundsOrganoheterocyclic compoundsAzolesThiazoles
Exploren/a07S1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanoneOrganic compoundsOrganoheterocyclic compoundsDiazinanesPiperazines
Exploren/a07T6-(3-aminobenzyl)-4-methyl-2-methylsulfinyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-oneOrganic compoundsOrganoheterocyclic compoundsThienopyrrolesn/a
Exploren/a07U2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamineOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesBipyridines and oligopyridines
Exploren/a07V(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-oneOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoids
Exploren/a07Y(2S,3R,4R,5R)-2-(hydroxymethyl)-5-(4-nitrophenoxy)oxolane-3,4-dioln/an/an/an/a
Exploren/a07Z4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzoic acidOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPyridinecarboxylic acids and derivatives
Exploren/a082(5R)-5-(3-{[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl]methyl}phenyl)-5-methyl-1,3-oxazolidine-2,4-dioneOrganic compoundsOrganoheterocyclic compoundsBenzisoxazolesn/a
Exploren/a0834,6-dimethyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)pyrimidine-2-carboximidamideOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesBipyridines and oligopyridines
ExploreDB017610844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINEOrganic compoundsOrganoheterocyclic compoundsAzolesImidazoles
Exploren/a0854-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl]benzamideOrganic compoundsOrganoheterocyclic compoundsAzolesImidazoles
Exploren/a0872-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamideOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPyridinecarboxylic acids and derivatives
Exploren/a0883-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acidOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesN-alkylindoles
Exploren/a08A(3S)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acidOrganic compoundsOrganoheterocyclic compoundsIsoquinolines and derivativesBenzylisoquinolines
Exploren/a08B4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesCarboxylic acid derivatives
Exploren/a08C2-(4-methoxyphenyl)-3,4-dihydroquinazolin-4-oneOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
ExploreDB0101508DSulfamethoxazoleOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzenesulfonamides
Exploren/a08E1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acidOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndolecarboxylic acids and derivatives
Exploren/a08F1-[(2-aminopyridin-4-yl)methyl]-5-chloro-N-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamideOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndolecarboxylic acids and derivatives
Exploren/a08G1-[4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-phenylethyl]urean/an/an/an/a
ExploreDB0040408H8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepineOrganic compoundsOrganoheterocyclic compoundsBenzodiazepines1,4-benzodiazepines
Exploren/a08ITrans-Geranyl BACTERIOPHEOPHYTIN An/an/an/an/a
ExploreDB0068308J8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepineOrganic compoundsOrganoheterocyclic compoundsBenzodiazepines1,4-benzodiazepines
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