Reaction Details Report a problem with these data
Target
Calcitonin gene-related peptide type 1 receptor
Ligand
BDBM50184069
Substrate
n/a
Meas. Tech.
ChEMBL_822738 (CHEMBL2040055)
Ki
3.4±n/a nM
Citation
 Bell, IM; Stump, CA; Gallicchio, SN; Staas, DD; Zartman, CB; Moore, EL; Sain, N; Urban, M; Bruno, JG; Calamari, A; Kemmerer, AL; Mosser, SD; Fandozzi, C; White, RB; Zrada, MM; Selnick, HG; Graham, SL; Vacca, JP; Kane, SA; Salvatore, CA MK-8825: a potent and selective CGRP receptor antagonist with good oral activity in rats. Bioorg Med Chem Lett 22:3941-5 (2012) [PubMed]  Article 
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:
BDBM50184069
Synonyms:
CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(pyridin-4-yl)piperazin-1-yl)hexan-2-ylamino)-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamide | N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide | OLCEGEPANT
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:
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