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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/a0SC2-(1-{[2-(5-fluoro-1H-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-olOrganic compoundsOrganoheterocyclic compoundsPyridopyrimidinesn/a
Exploren/a0SD2-(1-{[2-(2H-indazol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-olOrganic compoundsOrganoheterocyclic compoundsPyridopyrimidinesn/a
Exploren/a0SE2-(1-{[2-(2-aminopyrimidin-5-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-olOrganic compoundsOrganoheterocyclic compoundsPyridopyrimidinesn/a
Exploren/a0SF(2R)-3-{[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl][3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino}-1,1,1-trifluoropropan-2-olOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsEthers
Exploren/a0SGN-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-beta-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamideOrganic compoundsLipids and lipid-like moleculesSphingolipidsGlycosphingolipids
Exploren/a0SHN-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexadecanamideOrganic compoundsLipids and lipid-like moleculesSphingolipidsGlycosphingolipids
Exploren/a0SI8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-onen/an/an/an/a
Exploren/a0SJ(1R,5S)-3-(4-chlorobenzoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-oneOrganic compoundsOrganoheterocyclic compoundsPiperidinesN-acylpiperidines
Exploren/a0SK8-(hydroxyamino)-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-oneOrganic compoundsOrganoheterocyclic compoundsBenzothiazinesn/a
Exploren/a0SL(3R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acidOrganic compoundsBenzenoidsNaphthalenesNaphthalene sulfonic acids and derivatives
Exploren/a0SMTRIMETHYL-[2-[[(2S,3S)-2-(OCTADECANOYLAMINO)-3-OXIDANYL-BUTOXY]-OXIDANYL-PHOSPHORYL]OXYETHYL]AZANIUMOrganic compoundsOrganic nitrogen compoundsOrganonitrogen compoundsQuaternary ammonium salts
Exploren/a0SOtert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)propyl]carbamateOrganic compoundsOrganoheterocyclic compoundsAzolesPyrazoles
Exploren/a0SQ1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]ureaOrganic compoundsOrganoheterocyclic compoundsAzolesPyrazoles
Exploren/a0SR1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]ureaOrganic compoundsOrganoheterocyclic compoundsAzolesPyrazoles
Exploren/a0SSN-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamideOrganic compoundsOrganoheterocyclic compoundsAzolesPyrazoles
Exploren/a0ST1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]ureaOrganic compoundsOrganoheterocyclic compoundsAzolesPyrazoles
Exploren/a0SU1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(2-hydroxyethyl)ureaOrganic compoundsOrganoheterocyclic compoundsAzolesPyrazoles
Exploren/a0SV1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)ureaOrganic compoundsOrganoheterocyclic compoundsAzolesPyrazoles
Exploren/a0SWN-(2-phenylethyl)quinazolin-4-amineOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
ExploreDB123570SX8-chloro-2-[(2S)-pyrrolidin-2-yl][1]benzofuro[3,2-d]pyrimidin-4(3H)-oneOrganic compoundsOrganoheterocyclic compoundsBenzofuransn/a
ExploreDB170430SY2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-oneOrganic compoundsOrganoheterocyclic compoundsPyrrolopyridinesn/a
Exploren/a0SZ3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acidOrganic compoundsOrganoheterocyclic compoundsTetrahydroisoquinolinesn/a
Exploren/a0T03-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamideOrganic compoundsOrganoheterocyclic compoundsTetrahydroisoquinolinesn/a
Exploren/a0T1[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(propylamino)propyl]amino]butyl] hydrogen phosphateOrganic compoundsNucleosides, nucleotides, and analoguesPurine nucleotidesPurine ribonucleotides
Exploren/a0T22-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
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
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