Reaction Details Report a problem with these data
Target
Calcitonin gene-related peptide type 1 receptor
Ligand
BDBM50315409
Substrate
n/a
Meas. Tech.
ChEMBL_626017 (CHEMBL1106145)
Ki
0.072±n/a nM
Citation
Stump, CA; Bell, IM; Bednar, RA; Fay, JF; Gallicchio, SN; Hershey, JC; Jelley, R; Kreatsoulas, C; Moore, EL; Mosser, SD; Quigley, AG; Roller, SA; Salvatore, CA; Sharik, SS; Theberge, CR; Zartman, CB; Kane, SA; Graham, SL; Selnick, HG; Vacca, JP; Williams, TM Identification of potent, highly constrained CGRP receptor antagonists. Bioorg Med Chem Lett 20:2572-6 (2010) [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:
BDBM50315409
Synonyms:
2a-ethyl-1-(((R)-2'-oxo-1',2',6,8-tetrahydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-yl)methyl)-1,2,2a,3-tetrahydropyrrolo[4,3,2-de]quinolin-4(5H)-one | CHEMBL1092208
Type:
Small organic molecule
Emp. Form.:
C31H27N5O2
Mol. Mass.:
501.5784
SMILES:
CCC12CN(Cc3ccc4cc5C[C@]6(Cc5cc4n3)C(=O)Nc3ncccc63)c3cccc(NC(=O)C1)c23 |r|