Reaction Details Report a problem with these data
Target
Calcitonin gene-related peptide type 1 receptor
Ligand
BDBM50301968
Substrate
n/a
Meas. Tech.
ChEMBL_598692 (CHEMBL1050773)
Ki
0.26±n/a nM
Citation
Wood, MR; Schirripa, KM; Kim, JJ; Quigley, AG; Stump, CA; Bell, IM; Bednar, RA; Fay, JF; Bruno, JG; Moore, EL; Mosser, SD; Roller, S; Salvatore, CA; Kane, SA; Vacca, JP; Selnick, HG Novel CGRP receptor antagonists through a design strategy of target simplification with addition of molecular flexibility. Bioorg Med Chem Lett 19:5787-90 (2009) [PubMed] Article
More Info.:
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:
Human
Description:
Q16602
Residue:
461
Sequence:
MEKKCTLYFLVLLPFFMILVTAELEESPEDSIQLGVTRNKIMTAQYECYQKIMQDPIQQAEGVYCNRTWDGWLCWNDVAAGTESMQLCPDYFQDFDPSEKVTKICDQDGNWFRHPASNRTWTNYTQCNVNTHEKVKTALNLFYLTIIGHGLSIASLLISLGIFFYFKSLSCQRITLHKNLFFSFVCNSVVTIIHLTAVANNQALVATNPVSCKVSQFIHLYLMGCNYFWMLCEGIYLHTLIVVAVFAEKQHLMWYYFLGWGFPLIPACIHAIARSLYYNDNCWISSDTHLLYIIHGPICAALLVNLFFLLNIVRVLITKLKVTHQAESNLYMKAVRATLILVPLLGIEFVLIPWRPEGKIAEEVYDYIMHILMHFQGLLVSTIFCFFNGEVQAILRRNWNQYKIQFGNSFSNSEALRSASYTVSTISDGPGYSHDCPSEHLNGKSIHDIENVLLKPENLYN
Inhibitor
Name:
BDBM50301968
Synonyms:
CHEMBL570474 | N-((R)-1-(3,5-difluorophenyl)ethyl)-N-(2-((S)-3-methyl-2,5-dioxo-1',3'-dihydrospiro[imidazolidine-4,2'-indene]-5'-ylamino)-2-oxoethyl)pivalamide
Type:
Small organic molecule
Emp. Form.:
C27H30F2N4O4
Mol. Mass.:
512.5483
SMILES:
C[C@@H](N(CC(=O)Nc1ccc2C[C@@]3(Cc2c1)N(C)C(=O)NC3=O)C(=O)C(C)(C)C)c1cc(F)cc(F)c1 |r|