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Ligand

NameCHEMBL1081612
Molecular formulaC28H26FN3O2
IUPAC name[(2S)-4-[3-fluoro-4-(2-methylphenyl)benzoyl]-2-methylpiperazin-1-yl]-(1H-indol-6-yl)methanone
Molecular weight455.533
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50312787
((S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(2-fluoro-2''-methylbiphenyl-4-yl)methanone
Inchi KeyAKLCEAZEZRTKJE-IBGZPJMESA-N
Inchi IDInChI=1S/C28H26FN3O2/c1-18-5-3-4-6-23(18)24-10-9-21(15-25(24)29)27(33)31-13-14-32(19(2)17-31)28(34)22-8-7-20-11-12-30-26(20)16-22/h3-12,15-16,19,30H,13-14,17H2,1-2H3/t19-/m0/s1
PubChem CID46880725
ChEMBLCHEMBL1081612
IUPHARN/A
BindingDB50312787
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
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GLASS IDNameUniProtGeneSpeciesLength
7646Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366
7647Growth hormone secretagogue receptor type 1O08725GhsrRattus norvegicus (Rat)364

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