Brief Information of the Compound and Protein
Compound Name
(S)-4-Chloro-1-methyl-7-{2-oxo-2-[4-(6-oxo-5,6,8,9-tetrahydro-1,5,7-triaza-benzocyclohepten-7-yl)-piperidin-1-yl]-ethyl}-9-(2,2,2-trifluoro-ethyl)-1,3,6,7,9,10-hexahydro-1,3,9-triaza-cyclohepta[e]indene-2,8-dione
    Show/Hide
Canonical SMILES
Cn1c(=O)[nH]c2c(Cl)cc3c(c21)CN(CC(F)(F)F)C(=O)[C@H](CC(=O)N1CCC(N2CCc4ncccc4NC2=O)CC1)C3
    Show/Hide
Compound Formula C29H31ClF3N7O4
Compound Structure
Protein Name
Calcitonin gene-related peptide type 1 receptor
Protein Classification
Membrane receptor
>
Family B G protein-coupled receptor
>
Peptide receptor (family B GPCR)
>
Calcitonin-like receptor
>
Calcitonin gene-related peptide receptor
Uniprot ID
Q16602
Gene Name
CALCRL
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
Ki = 0.043 nM
   TI
   LI
   LO
   TS