Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50177561
Substrate
n/a
Meas. Tech.
ChEMBL_349445 (CHEMBL865697)
Ki
5800±n/a nM
Citation
 Shi, Q; Ornstein, PL; Briner, K; Richardson, TI; Arnold, MB; Backer, RT; Buckmaster, JL; Canada, EJ; Doecke, CW; Hertel, LW; Honigschmidt, N; Hsiung, HM; Husain, S; Kuklish, SL; Martinelli, MJ; Mullaney, JT; O'Brien, TP; Reinhard, MR; Rothhaar, R; Shah, J; Wu, Z; Xie, C; Zgombick, JM; Fisher, MJ Synthesis and structure-activity relationships of novel dipeptides and reduced dipeptides as ligands for melanocortin subtype-4 receptor. Bioorg Med Chem Lett 16:2341-6 (2006) [PubMed]  Article 
Target
Name:
Melanocyte-stimulating hormone receptor
Synonyms:
MC1-R | MC1R | MSH-R | MSHR | MSHR_HUMAN | Melanocortin MC1 | Melanocortin receptor (M1 and M4) | Melanocortin receptor 1 (MC-1) | Melanocortin receptor 1 (MC1-R) | Melanocortin receptor 1 (MC1R)
Type:
Enzyme
Mol. Mass.:
34717.23
Organism:
Homo sapiens (Human)
Description:
Q01726
Residue:
317
Sequence:
MAVQGSQRRLLGSLNSTPTAIPQLGLAANQTGARCLEVSISDGLFLSLGLVSLVENALVVATIAKNRNLHSPMYCFICCLALSDLLVSGSNVLETAVILLLEAGALVARAAVLQQLDNVIDVITCSSMLSSLCFLGAIAVDRYISIFYALRYHSIVTLPRARRAVAAIWVASVVFSTLFIAYYDHVAVLLCLVVFFLAMLVLMAVLYVHMLARACQHAQGIARLHKRQRPVHQGFGLKGAVTLTILLGIFFLCWGPFFLHLTLIVLCPEHPTCGCIFKNFNLFLALIICNAIIDPLIYAFHSQELRRTLKEVLTCSW
  
Inhibitor
Name:
BDBM50177561
Synonyms:
(R)-N-((R)-3-(4-chlorophenyl)-1-(4-(2-(diethylamino)-1-(2-fluorophenyl)ethyl)piperazin-1-yl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide | CHEMBL377961
Type:
Small organic molecule
Emp. Form.:
C35H43ClFN5O2
Mol. Mass.:
620.2
SMILES:
CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)c1ccccc1F
Structure:
Search PDB for entries with ligand similarity: