Reaction Details
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Calcitonin gene-related peptide type 1 receptor
Ligand
BDBM50173468
Substrate
n/a
Meas. Tech.
ChEMBL_321551 (CHEMBL881965)
pH
7.4±n/a
IC50
6.4±n/a nM
Comments
extracted
Citation
Rudolf, K; Eberlein, W; Engel, W; Pieper, H; Entzeroth, M; Hallermayer, G; Doods, H Development of human calcitonin gene-related peptide (CGRP) receptor antagonists. 1. Potent and selective small molecule CGRP antagonists. 1-[N2-[3,5-dibromo-N-[[4-(3,4-dihydro-2(1H)-oxoquinazolin-3-yl)-1-piperidinyl]carbonyl]-D-tyrosyl]-l-lysyl]-4-(4-pyridinyl)piperazine: the first CGRP antagonist J Med Chem 48:5921-31 (2005) [PubMed] Article More Info.:
Target
Name:
Calcitonin gene-related peptide type 1 receptor
Synonyms:
CALRL_RAT | Calcitonin-gene-related peptide receptor; CALCRL/RAMP1 | Calcrl | Cgrpr
Type:
PROTEIN
Mol. Mass.:
53330.91
Organism:
Rattus norvegicus
Description:
ChEMBL_1457286
Residue:
464
Sequence:
MMDKKCTLCFLFLLLLNMALIAAESEEGANQTDLGVTRNKIMTAQYECYQKIMQDPIQQGEGLYCNRTWDGWLCWNDVAAGTESMQYCPDYFQDFDPSEKVTKICDQDGNWFRHPDSNRTWTNYTLCNNSTHEKVKTALNLFYLTIIGHGLSIASLIISLIIFFYFKSLSCQRITLHKNLFFSFVCNSIVTIIHLTAVANNQALVATNPVSCKVSQFIHLYLMGCNYFWMLCEGIYLHTLIVVAVFAEKQHLMWYYFLGWGFPLLPACIHAIARSLYYNDNCWISSDTHLLYIIHGPICAALLVNLFFLLNIVRVLITKLKVTHQAESNLYMKAVRATLILVPLLGIEFVLFPWRPEGKVAEEVYDYVMHILMHYQGLLVSTIFCFFNGEVQAILRRNWNQYKIQFGNGFSHSDALRSASYTVSTISDVQGYSHDCPTEHLNGKSIQDIENVALKPEKMYDLVM
Inhibitor
Name:
BDBM50173468
Synonyms:
4-(2-Oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidine-1-carboxylic acid [(S)-1-[(R)-5-amino-1-(4-pyridin-4-yl-piperazine-1-carbonyl)-pentylcarbamoyl]-2-(3,5-dibromo-4-hydroxy-phenyl)-ethyl]-amide | CHEMBL197529
Type:
Small organic molecule
Emp. Form.:
C38H47Br2N9O5
Mol. Mass.:
869.645
SMILES:
NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1
Structure:
