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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 ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL1080938
Molecular formulaC26H24N4O2
IUPAC name1H-indol-6-yl-[(2S)-2-methyl-4-(6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone
Molecular weight424.504
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50312788
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(6-phenylpyridin-3-yl)methanone
Inchi KeyWFMTXSXQVGYGHC-SFHVURJKSA-N
Inchi IDInChI=1S/C26H24N4O2/c1-18-17-29(25(31)22-9-10-23(28-16-22)19-5-3-2-4-6-19)13-14-30(18)26(32)21-8-7-20-11-12-27-24(20)15-21/h2-12,15-16,18,27H,13-14,17H2,1H3/t18-/m0/s1
PubChem CID46880726
ChEMBLCHEMBL1080938
IUPHARN/A
BindingDB50312788
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
371975Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366
371976Growth hormone secretagogue receptor type 1O08725GhsrRattus norvegicus (Rat)364

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