Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50451760
Substrate
n/a
Meas. Tech.
ChEMBL_105836 (CHEMBL716495)
IC50
4000±n/a nM
Citation
 Danho, W; Swistok, J; Cheung, AW; Kurylko, G; Franco, L; Chu, XJ; Chen, L; Yagaloff, K Structure-activity relationship of linear peptide Bu-His6-DPhe7-Arg8-Trp9-Gly10-NH2 at the human melanocortin-1 and -4 receptors: DPhe7 and Trp9 substitution. Bioorg Med Chem Lett 13:649-52 (2003) [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:
BDBM50451760
Synonyms:
CHEMBL2371220
Type:
Small organic molecule
Emp. Form.:
C42H52N12O6
Mol. Mass.:
820.9391
SMILES:
CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:6.6,16.17,31.34,wD:42.45,(-1.74,-13.45,;-.6,-12.41,;-.92,-10.91,;.22,-9.89,;1.68,-10.36,;-.11,-8.38,;1.03,-7.35,;.73,-5.85,;1.87,-4.82,;3.37,-5.14,;4.14,-3.8,;3.12,-2.66,;1.71,-3.29,;2.51,-7.82,;2.82,-9.33,;3.65,-6.79,;5.12,-7.27,;5.43,-8.78,;6.89,-9.26,;8.05,-8.22,;9.5,-8.7,;9.82,-10.2,;8.68,-11.24,;9.03,-12.73,;7.89,-13.78,;6.41,-13.31,;6.08,-11.8,;7.22,-10.76,;6.26,-6.24,;5.94,-4.73,;7.72,-6.72,;8.86,-5.68,;8.55,-4.17,;9.69,-3.15,;9.37,-1.65,;10.51,-.61,;10.19,.88,;11.34,1.92,;8.73,1.36,;10.33,-6.16,;10.64,-7.66,;11.48,-5.14,;12.93,-5.61,;13.26,-7.12,;14.73,-7.59,;15.97,-6.68,;17.21,-7.59,;16.73,-9.06,;17.5,-10.38,;16.73,-11.72,;15.2,-11.72,;14.43,-10.38,;15.2,-9.06,;14.08,-4.58,;13.76,-3.08,;15.55,-5.06,;16.69,-4.02,;18.15,-4.5,;19.29,-3.47,;18.47,-6.01,)|
Structure:
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