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Ligand

NameCHEMBL449192
Molecular formulaC33H38N4O5
IUPAC nameN-[1-[4-(4-acetamidophenyl)phenyl]-2-morpholin-4-ylethyl]-2-(6,7-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
Molecular weight570.69
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50244022
N-[1-(4''-Acetylamino-biphenyl-4-yl)-2-morpholin-4-yl-ethyl]-2-(6,7-dimethyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-methyl-acetamide
SCHEMBL2953718
Inchi KeyBEKQKLIWZQJREN-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H38N4O5/c1-22-17-29-31(18-23(22)2)42-21-33(40)37(29)20-32(39)35(4)30(19-36-13-15-41-16-14-36)27-7-5-25(6-8-27)26-9-11-28(12-10-26)34-24(3)38/h5-12,17-18,30H,13-16,19-21H2,1-4H3,(H,34,38)
PubChem CID44561240
ChEMBLCHEMBL449192
IUPHARN/A
BindingDB50244022
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
21649Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
21648Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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