Reaction Details Report a problem with these data
Target
Calcitonin gene-related peptide type 1 receptor
Ligand
BDBM50548659
Substrate
n/a
Meas. Tech.
ChEMBL_2022773 (CHEMBL4676586)
Ki
1.000000±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:
BDBM50548659
Synonyms:
CHEMBL4777037
Type:
Small organic molecule
Emp. Form.:
C32H32ClN7O3
Mol. Mass.:
598.095
SMILES:
Clc1cc2C[C@@H](NC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C(=O)N(Cc3ccccc3)Cc2c2cn[nH]c12 |r|
Structure:
Search PDB for entries with ligand similarity: