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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL3644383
Molecular formulaC21H21N5O
IUPAC name9-cyclopropyl-2-(4-cyclopropylimidazol-1-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a][2,6]naphthyridin-5-one
Molecular weight359.433
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP1.1
SynonymsBDBM136092
SCHEMBL15487776
US8853203, 110a
Inchi KeyBYWQDLWHKFJLHC-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21N5O/c27-20-10-23-19(25-11-17(24-12-25)13-1-2-13)9-18-15-5-7-22-21(14-3-4-14)16(15)6-8-26(18)20/h5,7,9,11-14H,1-4,6,8,10H2
PubChem CID89979995
ChEMBLCHEMBL3644383
IUPHARN/A
BindingDB136092
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
459540Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
459539Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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