Reaction Details Report a problem with these data
Target
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
Ligand
BDBM50217482
Substrate
n/a
Meas. Tech.
ChEMBL_448634 (CHEMBL897784)
IC50
471±n/a nM
Citation
 Shaw, AW; Paone, DV; Nguyen, DN; Stump, CA; Burgey, CS; Mosser, SD; Salvatore, CA; Rutledge, RZ; Kane, SA; Koblan, KS; Graham, SL; Vacca, JP; Williams, TM Caprolactams as potent CGRP receptor antagonists for the treatment of migraine. Bioorg Med Chem Lett 17:4795-8 (2007) [PubMed]  Article 
Target
Name:
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
Synonyms:
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 327200
Components:
This complex has 2 components.
Component 1
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
  
Component 2
Name:
Receptor activity-modifying protein 1
Synonyms:
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 | RAMP1 | RAMP1_HUMAN
Type:
PROTEIN
Mol. Mass.:
16992.80
Organism:
Homo sapiens (Human)
Description:
EBI_100673
Residue:
148
Sequence:
MARALCRLPRRGLWLLLAHHLFMTTACQEANYGALLRELCLTQFQVDMEAVGETLWCDWGRTIRSYRELADCTWHMAEKLGCFWPNAEVDRFFLAVHGRYFRSCPISGRAVRDPPGSILYPFIVVPITVTLLVTALVVWQSKRTEGIV
  
Inhibitor
Name:
BDBM50217482
Synonyms:
CHEMBL236516 | tert-butyl 2-((3S,7S)-2-oxo-3-(4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamido)-7-phenylazepan-1-yl)acetate
Type:
Small organic molecule
Emp. Form.:
C32H41N5O5
Mol. Mass.:
575.6984
SMILES:
CC(C)(C)OC(=O)CN1[C@@H](CCC[C@H](NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C1=O)c1ccccc1
Structure:
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