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Ligand

NameCHEMBL330837
Molecular formulaC18H23N3O3
IUPAC name5-[(E)-(3-imidazol-1-yl-4-phenylbutan-2-ylidene)amino]oxypentanoic acid
Molecular weight329.4
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.7
Synonyms5-[2-Imidazol-1-yl-1-methyl-3-phenyl-prop-(E)-ylideneaminooxy]-pentanoic acid
BDBM50037760
SCHEMBL9423538
Inchi KeyBCYFFYZXYAKMJO-HMMYKYKNSA-N
Inchi IDInChI=1S/C18H23N3O3/c1-15(20-24-12-6-5-9-18(22)23)17(21-11-10-19-14-21)13-16-7-3-2-4-8-16/h2-4,7-8,10-11,14,17H,5-6,9,12-13H2,1H3,(H,22,23)/b20-15+
PubChem CID10087973
ChEMBLCHEMBL330837
IUPHARN/A
BindingDB50037760
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
20684Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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