Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50191580
Substrate
n/a
Meas. Tech.
ChEMBL_376971 (CHEMBL853374)
Ki
13±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:
BDBM50191580
Synonyms:
(2R,4R)-1-((R)-2-((S)-2-acetamido-3-(1H-imidazol-4-yl)propanamido)-3-phenylpropanoyl)-N-(2-guanidinoethyl)-4-(naphthalen-2-ylmethoxy)pyrrolidine-2-carboxamide | CHEMBL378293
Type:
Small organic molecule
Emp. Form.:
C36H43N9O5
Mol. Mass.:
681.7839
SMILES:
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1C(=O)NCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:28.31,14.14,26.40,wD:4.3,(-.65,-12.93,;-1.99,-13.7,;-1.98,-15.24,;-3.32,-12.93,;-4.65,-13.71,;-5.99,-12.94,;-5.99,-11.4,;-7.24,-10.5,;-6.77,-9.03,;-5.23,-9.03,;-4.75,-10.49,;-4.65,-15.25,;-3.32,-16.01,;-5.98,-16.02,;-5.98,-17.56,;-7.32,-18.33,;-8.65,-17.56,;-9.99,-18.33,;-11.32,-17.56,;-11.32,-16.02,;-10,-15.25,;-8.66,-16.01,;-4.65,-18.33,;-3.32,-17.55,;-4.65,-19.87,;-5.89,-20.77,;-5.42,-22.24,;-3.88,-22.24,;-3.4,-20.77,;-2.06,-20.02,;-2.03,-18.48,;-.73,-20.81,;.61,-20.06,;1.93,-20.86,;3.28,-20.11,;4.6,-20.9,;5.95,-20.15,;4.58,-22.44,;-6.32,-23.48,;-5.69,-24.89,;-6.46,-26.23,;-5.69,-27.55,;-6.45,-28.88,;-7.99,-28.89,;-8.76,-30.22,;-10.28,-30.22,;-11.06,-28.89,;-10.29,-27.56,;-8.76,-27.56,;-8,-26.23,)|
Structure:
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