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Ligand

NameCHEMBL3586309
Molecular formulaC24H22N2O2S
IUPAC name7-(1-benzothiophen-3-yl)-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
Molecular weight402.512
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50092617
4-(3-Pyridyl)methyl-7-(1-benzothiophene-3-yl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzooxazepine
Inchi KeyBJCNATUOCUEACR-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22N2O2S/c1-27-22-12-18(21-16-29-23-7-3-2-6-20(21)23)11-19-15-26(9-10-28-24(19)22)14-17-5-4-8-25-13-17/h2-8,11-13,16H,9-10,14-15H2,1H3
PubChem CID30897313
ChEMBLCHEMBL3586309
IUPHARN/A
BindingDB50092617
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
465997Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
465993Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
465994Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
465995Prostaglandin E2 receptor EP2 subtypeQ62053Ptger2Mus musculus (Mouse)362
465996Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
465992Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488

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