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Ligand

NameCHEMBL3356408
Molecular formulaC20H18F3N3O5
IUPAC name3-[2-[(5R)-5-(carboxymethyl)-8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-4-yl]-2-oxoethyl]benzoic acid
Molecular weight437.375
Hydrogen bond acceptor10
Hydrogen bond donor3
XlogP1.8
SynonymsBDBM50041421
Inchi KeyBUUHEMAERBFGQP-CQSZACIVSA-N
Inchi IDInChI=1S/C20H18F3N3O5/c21-20(22,23)15-5-4-13-14(10-17(28)29)26(7-6-24-18(13)25-15)16(27)9-11-2-1-3-12(8-11)19(30)31/h1-5,8,14H,6-7,9-10H2,(H,24,25)(H,28,29)(H,30,31)/t14-/m1/s1
PubChem CID118721526
ChEMBLCHEMBL3356408
IUPHARN/A
BindingDB50041421
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
442954Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
442955Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399

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