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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
ExploreDB0120008YbromoergocryptineOrganic compoundsAlkaloids and derivativesErgoline and derivativesLysergic acids and derivatives
Exploren/a08Z4-{[4-amino-5-(pyridin-3-ylcarbonyl)-1,3-thiazol-2-yl]amino}benzamideOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPyridinecarboxylic acids and derivatives
Exploren/a090N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDEOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a091(3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-oneOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a092methyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylateOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
ExploreDB06836093N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDEOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzenesulfonamides
Exploren/a0941-(2,6-DICHLOROPHENYL)-6-[(2,4-DIFLUOROPHENYL)SULFANYL]-7-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-3,4-DIHYDROPYRIDO[3,2-D]PYRIMIDIN-2(1H)-ONEOrganic compoundsOrganosulfur compoundsThioethersAryl thioethers
Exploren/a095tetrahydro-2H-pyran-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylateOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a096(2R)-2-{4-hydroxy-5-methoxy-2-[3-(4-methylpiperazin-1-yl)propyl]phenyl}-3-pyridin-3-yl-1,3-thiazolidin-4-oneOrganic compoundsBenzenoidsPhenolsMethoxyphenols
ExploreDB00786097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamideOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsAlcohols and polyols
Exploren/a098(3R)-N~2~-(cyclopropylmethyl)-N~1~-hydroxy-3-(3-hydroxybenzyl)-N~4~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-L-aspartamideOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
ExploreDB06837099(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamideOrganic compoundsBenzenoidsIndanesn/a
Exploren/a09Abenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylateOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a09B4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylateOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a09C(3S,5R)-3,5-bis(6-bromo-1H-indol-3-yl)piperazin-2-oneOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a09D(4S)-6-bromo-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylateOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a09E(4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylateOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a09F1-cyanocyclohexyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylateOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a09G3-bromo-4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylateOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesAmino acids, peptides, and analogues
Exploren/a09H2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamideOrganic compoundsBenzenoidsBenzene and substituted derivativesAnilides
Exploren/a09I3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamideOrganic compoundsOrganoheterocyclic compoundsBenzofuransn/a
Exploren/a09J3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamideOrganic compoundsOrganoheterocyclic compoundsDiazinesPyridazines and derivatives
Exploren/a09KN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamideOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylacetamides
ExploreDB0907409L4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-oneOrganic compoundsOrganoheterocyclic compoundsDiazanaphthalenesBenzodiazines
Exploren/a09M(5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphateOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPyridoxamines
Exploren/a09N(11Z,14Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamideOrganic compoundsLipids and lipid-like moleculesSphingolipidsGlycosphingolipids
Exploren/a09O1-(pyridin-3-yl)-1,4-diazepaneOrganic compoundsOrganic nitrogen compoundsOrganonitrogen compoundsAmines
Exploren/a09P1-(5-ethoxypyridin-3-yl)-1,4-diazepaneOrganic compoundsOrganic nitrogen compoundsOrganonitrogen compoundsAmines
Exploren/a09Q1-(5-phenylpyridin-3-yl)-1,4-diazepaneOrganic compoundsOrganoheterocyclic compoundsPyridines and derivativesPhenylpyridines
Exploren/a09R1-(6-bromopyridin-3-yl)-1,4-diazepaneOrganic compoundsOrganic nitrogen compoundsOrganonitrogen compoundsAmines
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