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Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50191554
Substrate
n/a
Meas. Tech.
ChEMBL_376971 (CHEMBL853374)
Ki
0.650000±n/a nM
Citation
 Tian, X; Field, TB; Switzer, AG; Mazur, AW; Ebetino, FH; Wos, JA; Berberich, SM; Jayasinghe, LR; Obringer, CM; Dowty, ME; Pinney, BB; Farmer, JA; Crossdoersen, D; Sheldon, RJ Design, synthesis, and evaluation of proline and pyrrolidine based melanocortin receptor agonists. A conformationally restricted dipeptide mimic approach. J Med Chem 49:4745-61 (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:
BDBM50191554
Synonyms:
(S)-2-acetamido-N-((R)-1-((2S,4R)-2-(3-guanidinopropyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)-3-(1H-imidazol-4-yl)propanamide | CHEMBL379508
Type:
Small organic molecule
Emp. Form.:
C36H44N8O4
Mol. Mass.:
652.7858
SMILES:
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:28.31,14.14,26.38,wD:4.3,(17.84,3.85,;16.5,3.08,;16.5,1.54,;15.17,3.85,;13.84,3.08,;12.5,3.85,;12.5,5.39,;11.25,6.28,;11.72,7.75,;13.26,7.75,;13.74,6.28,;13.84,1.54,;15.17,.77,;12.5,.77,;12.51,-.77,;11.17,-1.54,;9.84,-.77,;8.5,-1.55,;7.16,-.77,;7.17,.77,;8.49,1.54,;9.83,.78,;13.84,-1.54,;15.17,-.77,;13.84,-3.08,;12.59,-3.99,;13.07,-5.45,;14.61,-5.45,;15.09,-3.98,;16.43,-3.24,;17.75,-4.03,;19.1,-3.28,;20.42,-4.07,;21.77,-3.32,;23.09,-4.11,;21.79,-1.78,;12.17,-6.7,;12.8,-8.1,;12.03,-9.44,;12.8,-10.76,;12.04,-12.1,;10.49,-12.11,;9.73,-13.43,;8.2,-13.44,;7.43,-12.1,;8.2,-10.78,;9.73,-10.78,;10.49,-9.44,)|
Structure:
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