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Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50454555
Substrate
n/a
Meas. Tech.
ChEMBL_105835 (CHEMBL716494)
IC50
0.350000±n/a nM
Citation
 Haskell-Luevano, C; Nikiforovich, G; Sharma, SD; Yang, YK; Dickinson, C; Hruby, VJ; Gantz, I Biological and conformational examination of stereochemical modifications using the template melanotropin peptide, Ac-Nle-c[Asp-His-Phe-Arg-Trp-Ala-Lys]-NH2, on human melanocortin receptors. J Med Chem 40:1738-48 (1997) [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:
BDBM50454555
Synonyms:
CHEMBL2115441
Type:
Small organic molecule
Emp. Form.:
C53H74N16O10
Mol. Mass.:
1095.2559
SMILES:
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O)C(N)=O |wU:30.30,66.69,4.4,44.46,25.25,wD:12.11,21.80,55.57,(-3.6,-3.27,;-2.8,-4.62,;-3.51,-6.01,;-2.66,-7.31,;-3.24,-8.75,;-4.77,-8.95,;-5.17,-10.44,;-6.68,-10.84,;-4.09,-11.55,;-2.3,-9.96,;-2.87,-11.38,;-.49,-9.48,;.9,-10.13,;.41,-11.59,;.29,-13.13,;-1.26,-13.19,;.53,-14.65,;1.14,-16.07,;2.06,-17.29,;3.26,-18.26,;4.65,-18.92,;6.15,-19.23,;7.69,-19.18,;9.17,-18.75,;9.77,-20.16,;10.5,-17.98,;11.43,-19.2,;11.62,-16.91,;12.44,-15.6,;13.83,-16.26,;12.93,-14.14,;14.44,-14.44,;14.92,-15.92,;16.39,-16.38,;16.4,-17.92,;14.94,-18.4,;14.33,-19.81,;12.8,-19.99,;11.88,-18.75,;12.49,-17.34,;14.02,-17.17,;13.05,-12.61,;12.8,-11.09,;14.28,-10.67,;12.2,-9.68,;13.53,-8.91,;14.87,-9.68,;16.19,-8.91,;17.53,-9.68,;18.87,-8.91,;20.19,-9.68,;18.87,-7.37,;11.27,-8.44,;10.09,-7.47,;10.9,-6.17,;8.69,-6.81,;9.17,-5.35,;10.69,-5.05,;11.17,-3.59,;12.68,-3.28,;13.71,-4.44,;13.22,-5.89,;11.7,-6.19,;7.18,-6.51,;5.64,-6.55,;5.92,-5.52,;4.17,-6.99,;3.56,-5.58,;4.48,-4.34,;6.03,-4.38,;6.52,-2.9,;5.3,-1.99,;4.03,-2.88,;2.83,-7.77,;1.72,-8.83,;.53,-7.85,;6.03,-20.77,;7.29,-21.65,;4.64,-21.43,)|
Structure:
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