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Ligand

NameCHEMBL3586333
Molecular formulaC22H21ClN2O2
IUPAC name7-(3-chlorophenyl)-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
Molecular weight380.872
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM50092732
Inchi KeyBMLFWVCUWBTTCC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21ClN2O2/c1-26-21-12-18(17-5-2-6-20(23)11-17)10-19-15-25(8-9-27-22(19)21)14-16-4-3-7-24-13-16/h2-7,10-13H,8-9,14-15H2,1H3
PubChem CID122180270
ChEMBLCHEMBL3586333
IUPHARN/A
BindingDB50092732
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
466281Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358

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