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Ligand

NameCHEMBL504032
Molecular formulaC35H38FN7O3
IUPAC nameN-[1-[11-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepin-2-yl]pyrrolidin-3-yl]acetamide
Molecular weight623.733
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50413333
Inchi KeyUMYJGHFCRBPRBH-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H38FN7O3/c1-21(2)32-34(45)39-29-10-9-27(42-13-12-25(20-42)37-22(3)44)19-28(29)33-38-30-18-23(4-11-31(30)43(32)33)35(46)41-16-14-40(15-17-41)26-7-5-24(36)6-8-26/h4-11,18-19,21,25,32H,12-17,20H2,1-3H3,(H,37,44)(H,39,45)
PubChem CID136233383
ChEMBLN/A
IUPHARN/A
BindingDB50413333
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
567947Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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