Reaction Details
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Calcitonin gene-related peptide type 1 receptor
Ligand
BDBM50017422
Substrate
n/a
Meas. Tech.
ChEMBL_1363616 (CHEMBL3292879)
EC50
0.150000±n/a nM
Citation
Dasgupta, B; Kozlowski, E; Schroeder, DR; Torrente, JR; Xu, C; Pin, S; Conway, CM; Dubowchik, GM; Macor, JE; Vrudhula, VM Serendipitous oxidation product of BIBN4096BS: a potent CGRP receptor antagonist. Bioorg Med Chem Lett 24:2744-8 (2014) [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:
Homo sapiens (Human)
Description:
Q16602
Residue:
461
Sequence:
MEKKCTLYFLVLLPFFMILVTAELEESPEDSIQLGVTRNKIMTAQYECYQKIMQDPIQQAEGVYCNRTWDGWLCWNDVAAGTESMQLCPDYFQDFDPSEKVTKICDQDGNWFRHPASNRTWTNYTQCNVNTHEKVKTALNLFYLTIIGHGLSIASLLISLGIFFYFKSLSCQRITLHKNLFFSFVCNSVVTIIHLTAVANNQALVATNPVSCKVSQFIHLYLMGCNYFWMLCEGIYLHTLIVVAVFAEKQHLMWYYFLGWGFPLIPACIHAIARSLYYNDNCWISSDTHLLYIIHGPICAALLVNLFFLLNIVRVLITKLKVTHQAESNLYMKAVRATLILVPLLGIEFVLIPWRPEGKIAEEVYDYIMHILMHFQGLLVSTIFCFFNGEVQAILRRNWNQYKIQFGNSFSNSEALRSASYTVSTISDGPGYSHDCPSEHLNGKSIHDIENVLLKPENLYN
Inhibitor
Name:
BDBM50017422
Synonyms:
CHEMBL3288288
Type:
Small organic molecule
Emp. Form.:
C38H45Br2N9O6
Mol. Mass.:
883.629
SMILES:
NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)N1CCN(CC1)c1ccncc1 |r|
Structure:
