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Ligand

NameCHEMBL3586326
Molecular formulaC24H22N2O2S
IUPAC name7-(1-benzothiophen-2-yl)-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
Molecular weight402.512
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.6
Synonyms4-(3-Pyridyl)methyl-7-(1-benzothiophene-2-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzooxazepine
BDBM50092747
Inchi KeyBMAXSDWPOYNUMS-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22N2O2S/c1-27-21-12-19(23-13-18-6-2-3-7-22(18)29-23)11-20-16-26(9-10-28-24(20)21)15-17-5-4-8-25-14-17/h2-8,11-14H,9-10,15-16H2,1H3
PubChem CID122180263
ChEMBLCHEMBL3586326
IUPHARN/A
BindingDBN/A
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
466238Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358

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