Reaction Details Report a problem with these data
Target
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
Ligand
BDBM50184069
Substrate
n/a
Meas. Tech.
ChEMBL_353840 (CHEMBL864503)
IC50
0.1±n/a nM
Citation
 Williams, TM; Stump, CA; Nguyen, DN; Quigley, AG; Bell, IM; Gallicchio, SN; Zartman, CB; Wan, BL; Penna, KD; Kunapuli, P; Kane, SA; Koblan, KS; Mosser, SD; Rutledge, RZ; Salvatore, C; Fay, JF; Vacca, JP; Graham, SL Non-peptide calcitonin gene-related peptide receptor antagonists from a benzodiazepinone lead. Bioorg Med Chem Lett 16:2595-8 (2006) [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:
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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