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Ligand

NameCHEMBL3115388
Molecular formulaC25H21F4N3O4
IUPAC name2-[(5R)-4-[2-[3-(4-fluorophenoxy)phenyl]acetyl]-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-5-yl]acetic acid
Molecular weight503.454
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50447477
Inchi KeyDZNWQESWFVZQIO-HXUWFJFHSA-N
Inchi IDInChI=1S/C25H21F4N3O4/c26-16-4-6-17(7-5-16)36-18-3-1-2-15(12-18)13-22(33)32-11-10-30-24-19(20(32)14-23(34)35)8-9-21(31-24)25(27,28)29/h1-9,12,20H,10-11,13-14H2,(H,30,31)(H,34,35)/t20-/m1/s1
PubChem CID76328698
ChEMBLCHEMBL3115388
IUPHARN/A
BindingDB50447477
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
72850Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399
72851Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399

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