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Ligand

NameCHEMBL2164582
Molecular formulaC27H26F3N5O4S
IUPAC name(1S)-1-[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]ethanol
Molecular weight573.591
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50394611
Inchi KeyCEDDFIPODUBZLL-HNNXBMFYSA-N
Inchi IDInChI=1S/C27H26F3N5O4S/c1-15(36)25-33-24(34-39-25)19-6-5-7-20-22(19)35(14-16-8-13-21(27(28,29)30)32-23(16)31-20)40(37,38)18-11-9-17(10-12-18)26(2,3)4/h5-13,15,36H,14H2,1-4H3,(H,31,32)/t15-/m0/s1
PubChem CID62707365
ChEMBLCHEMBL2164582
IUPHARN/A
BindingDB50394611
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
39795Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
39796Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399

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