Reaction Details  Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50174079
Substrate
n/a
Meas. Tech.
ChEMBL_322133 (CHEMBL885192)
EC50
1300±n/a nM
Citation
 Chu, XJ; Bartkovitz, D; Danho, W; Swistok, J; Cheung, AW; Kurylko, G; Rowan, K; Yeon, M; Franco, L; Qi, L; Chen, L; Yagaloff, K Discovery of 1-amino-4-phenylcyclohexane-1-carboxylic acid and its influence on agonist selectivity between human melanocortin-4 and -1 receptors in linear pentapeptides. Bioorg Med Chem Lett 15:4910-4 (2005) [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:
BDBM50174079
Synonyms:
1-Pentanoylamino-4-phenyl-cyclohexanecarboxylic acid ((S)-1-{(R)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-1H-indol-3-yl-ethylcarbamoyl]-4-guanidino-butylcarbamoyl}-2-phenyl-ethyl)-amide | CHEMBL197695
Type:
Small organic molecule
Emp. Form.:
C46H60N10O6
Mol. Mass.:
849.032
SMILES:
CCCCC(=O)N[C@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:44.46,7.6,wD:7.20,22.23,33.35,10.13,(-4.1,-4.52,;-2.79,-5.28,;-1.46,-4.53,;-.15,-5.29,;1.16,-4.53,;1.16,-3.02,;2.48,-5.3,;2.86,-6.76,;3.02,-8.26,;1.81,-9.13,;.42,-8.53,;.27,-7.02,;1.47,-6.15,;-.79,-9.41,;-2.15,-8.8,;-3.38,-9.69,;-3.23,-11.19,;-1.84,-11.8,;-.63,-10.9,;4.07,-5.87,;3.91,-4.37,;5.46,-6.48,;6.66,-5.59,;6.66,-4.03,;7.08,-2.53,;5.94,-1.44,;6.33,.08,;7.85,.51,;8.95,-.6,;8.57,-2.11,;7.95,-6.45,;7.95,-8,;9.31,-5.71,;10.52,-6.61,;10.52,-8.16,;11.86,-8.93,;11.86,-10.47,;13.19,-11.19,;14.53,-12.01,;14.53,-13.55,;15.86,-11.24,;11.8,-5.74,;11.83,-4.2,;13.17,-6.48,;14.4,-5.59,;14.4,-4.03,;14.91,-2.58,;16.4,-2.14,;16.43,-.6,;14.99,-.09,;14.4,1.34,;12.88,1.54,;11.93,.33,;12.52,-1.11,;14.04,-1.31,;15.68,-6.45,;15.68,-8,;17.05,-5.71,;18.25,-6.61,;19.54,-5.74,;20.9,-6.48,;19.54,-4.2,)|
Structure:
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