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Ligand

NameCHEMBL503202
Molecular formulaC34H35F3N6O3
IUPAC name(7R)-2-[(3S)-3-acetamidopyrrolidin-1-yl]-7-[(2R)-butan-2-yl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepine-11-carboxamide
Molecular weight632.688
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP5.2
SynonymsBDBM50413336
Inchi KeyGLKQJMFNFORNFC-HHNDSTAQSA-N
Inchi IDInChI=1S/C34H35F3N6O3/c1-4-19(2)30-33(46)41-27-10-9-25(42-13-12-24(18-42)39-20(3)44)16-26(27)31-40-28-15-22(8-11-29(28)43(30)31)32(45)38-17-21-6-5-7-23(14-21)34(35,36)37/h5-11,14-16,19,24,30H,4,12-13,17-18H2,1-3H3,(H,38,45)(H,39,44)(H,41,46)/t19-,24+,30-/m1/s1
PubChem CID136233386
ChEMBLN/A
IUPHARN/A
BindingDB50413336
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
560403Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322
560402Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330

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