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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

NameMLS000732565
Molecular formulaC22H21F3N4O
IUPAC name[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
Molecular weight414.432
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.5
SynonymsCHEMBL1387467
MolPort-005-056-797
HMS2722G05
REGID_for_CID_16189864
MCULE-1701359372
[ Show all ]
Inchi KeyAMMHVSJYXZXGOV-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21F3N4O/c23-22(24,25)18-8-6-16(7-9-18)20(30)17-4-1-12-28(14-17)15-19-5-2-13-29(19)21-26-10-3-11-27-21/h2-3,5-11,13,17H,1,4,12,14-15H2
PubChem CID16189864
ChEMBLCHEMBL1387467
IUPHARN/A
BindingDBN/A
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
9046Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
9045Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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