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Ligand

NameCHEMBL2164578
Molecular formulaC28H31F3N4O2S
IUPAC name6-(4-tert-butylphenyl)sulfonyl-7-piperidin-4-yl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
Molecular weight544.637
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.7
SynonymsBDBM50394615
Inchi KeyAGKNSWMRWVOKSF-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31F3N4O2S/c1-27(2,3)20-8-10-21(11-9-20)38(36,37)35-17-19-7-12-24(28(29,30)31)34-26(19)33-23-6-4-5-22(25(23)35)18-13-15-32-16-14-18/h4-12,18,32H,13-17H2,1-3H3,(H,33,34)
PubChem CID62707363
ChEMBLCHEMBL2164578
IUPHARN/A
BindingDB50394615
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4958Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399
4959Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399

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