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Target
Calcitonin gene-related peptide type 1 receptor
Ligand
BDBM50548652
Substrate
n/a
Meas. Tech.
ChEMBL_2022773 (CHEMBL4676586)
Ki
0.540000±n/a nM
Citation
 Mercer, SE; Chaturvedula, PV; Conway, CM; Cook, DA; Davis, CD; Pin, SS; Macci, R; Schartman, R; Signor, LJ; Widmann, KA; Whiterock, VJ; Chen, P; Xu, C; Herbst, JJ; Kostich, WA; Thalody, G; Macor, JE; Dubowchik, GM Azepino-indazoles as calcitonin gene-related peptide (CGRP) receptor antagonists. Bioorg Med Chem Lett 31:0 (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:
BDBM50548652
Synonyms:
CHEMBL4754995
Type:
Small organic molecule
Emp. Form.:
C29H27ClF3N5O3
Mol. Mass.:
586.005
SMILES:
FC(F)(F)CN1Cc2c(C[C@@H](CC(=O)N3CCC(CC3)c3cc4ccccc4[nH]c3=O)C1=O)cc(Cl)c1[nH]ncc21 |r|
Structure:
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