Reaction Details Report a problem with these data
Target
Calcitonin gene-related peptide type 1 receptor
Ligand
BDBM50576172
Substrate
n/a
Meas. Tech.
ChEMBL_2126599 (CHEMBL4835944)
Ki
0.019000±n/a nM
Citation
 Luo, G; Jiang, XJ; Chen, L; Conway, CM; Gulianello, M; Kostich, W; Keavy, D; Signor, LJ; Chen, P; Davis, C; Whiterock, VJ; Schartman, R; Widmann, KA; Macor, JE; Dubowchik, GM Calcitonin gene-related peptide (CGRP) receptor antagonists: Heterocyclic modification of a novel azepinone lead. Bioorg Med Chem Lett 43:0 (2021) [PubMed]  Article 
Target
Name:
Calcitonin gene-related peptide type 1 receptor
Synonyms:
Adrenomedullin receptor AM1; CALCRL/RAMP2 | CALCRL | CALRL_HUMAN | CGRP type 1 receptor | CGRP type 1 receptor mRNA | CGRPR | Calcitonin gene-related peptide (CGRP) receptor | Calcitonin gene-related peptide 1 (CGRP) | Calcitonin receptor-like receptor | Calcitonin receptor-like receptor (CLR) | Human CL receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
52980.45
Organism:
Homo sapiens (Human)
Description:
Q16602
Residue:
461
Sequence:
MEKKCTLYFLVLLPFFMILVTAELEESPEDSIQLGVTRNKIMTAQYECYQKIMQDPIQQAEGVYCNRTWDGWLCWNDVAAGTESMQLCPDYFQDFDPSEKVTKICDQDGNWFRHPASNRTWTNYTQCNVNTHEKVKTALNLFYLTIIGHGLSIASLLISLGIFFYFKSLSCQRITLHKNLFFSFVCNSVVTIIHLTAVANNQALVATNPVSCKVSQFIHLYLMGCNYFWMLCEGIYLHTLIVVAVFAEKQHLMWYYFLGWGFPLIPACIHAIARSLYYNDNCWISSDTHLLYIIHGPICAALLVNLFFLLNIVRVLITKLKVTHQAESNLYMKAVRATLILVPLLGIEFVLIPWRPEGKIAEEVYDYIMHILMHFQGLLVSTIFCFFNGEVQAILRRNWNQYKIQFGNSFSNSEALRSASYTVSTISDGPGYSHDCPSEHLNGKSIHDIENVLLKPENLYN
  
Inhibitor
Name:
BDBM50576172
Synonyms:
CHEMBL4848486
Type:
Small organic molecule
Emp. Form.:
C29H30ClF3N6O4
Mol. Mass.:
619.035
SMILES:
FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)N3CCc4ccccc4NC3=O)C1=O)cc(Cl)c1[nH]c(=O)[nH]c21 |r|
Structure:
Search PDB for entries with ligand similarity: