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Ligand

NameCHEMBL3115387
Molecular formulaC25H22F3N3O4
IUPAC name2-[(5S)-4-[2-(3-phenoxyphenyl)acetyl]-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-5-yl]acetic acid
Molecular weight485.463
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.8
SynonymsBDBM50447478
Inchi KeyKAGBRIRYKHBMAE-FQEVSTJZSA-N
Inchi IDInChI=1S/C25H22F3N3O4/c26-25(27,28)21-10-9-19-20(15-23(33)34)31(12-11-29-24(19)30-21)22(32)14-16-5-4-8-18(13-16)35-17-6-2-1-3-7-17/h1-10,13,20H,11-12,14-15H2,(H,29,30)(H,33,34)/t20-/m0/s1
PubChem CID76332373
ChEMBLCHEMBL3115387
IUPHARN/A
BindingDB50447478
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
164275Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399
164276Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399

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