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Ligand

NameCHEMBL2164581
Molecular formulaC26H24F3N5O4S
IUPAC name[3-[6-(4-tert-butylphenyl)sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-7-yl]-1,2,4-oxadiazol-5-yl]methanol
Molecular weight559.564
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50394612
SCHEMBL1085925
Inchi KeyFWWAWJWEAANSPV-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24F3N5O4S/c1-25(2,3)16-8-10-17(11-9-16)39(36,37)34-13-15-7-12-20(26(27,28)29)31-23(15)30-19-6-4-5-18(22(19)34)24-32-21(14-35)38-33-24/h4-12,35H,13-14H2,1-3H3,(H,30,31)
PubChem CID59618753
ChEMBLCHEMBL2164581
IUPHARN/A
BindingDB50394612
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
89256Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399
89257Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399

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