Reaction Details Report a problem with these data
Target
Melanocortin receptor 5
Ligand
BDBM50217770
Substrate
n/a
Meas. Tech.
ChEMBL_448695 (CHEMBL897841)
Ki
49000±n/a nM
Citation
 Mutulis, F; Kreicberga, J; Yahorava, S; Mutule, I; Borisova-Jan, L; Yahorau, A; Muceniece, R; Azena, S; Veiksina, S; Petrovska, R; Wikberg, JE Design and synthesis of a library of tertiary amides: evaluation as mimetics of the melanocortins' active core. Bioorg Med Chem 15:5787-810 (2007) [PubMed]  Article 
Target
Name:
Melanocortin receptor 5
Synonyms:
MC-2 | MC5-R | MC5R | MC5R_HUMAN | Melanocortin MC5 | Melanocortin receptor (M4 and M5) | Melanocortin receptor 5 | Melanocortin receptor 5 (MC5R)
Type:
Enzyme
Mol. Mass.:
36612.92
Organism:
Homo sapiens (Human)
Description:
P33032
Residue:
325
Sequence:
MNSSFHLHFLDLNLNATEGNLSGPNVKNKSSPCEDMGIAVEVFLTLGVISLLENILVIGAIVKNKNLHSPMYFFVCSLAVADMLVSMSSAWETITIYLLNNKHLVIADAFVRHIDNVFDSMICISVVASMCSLLAIAVDRYVTIFYALRYHHIMTARRSGAIIAGIWAFCTGCGIVFILYSESTYVILCLISMFFAMLFLLVSLYIHMFLLARTHVKRIAALPGASSARQRTSMQGAVTVTMLLGVFTVCWAPFFLHLTLMLSCPQNLYCSRFMSHFNMYLILIMCNSVMDPLIYAFRSQEMRKTFKEIICCRGFRIACSFPRRD
  
Inhibitor
Name:
BDBM50217770
Synonyms:
CHEMBL393753 | N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)-N-(pyridin-2-ylmethyl)butanamide
Type:
Small organic molecule
Emp. Form.:
C31H42N4O
Mol. Mass.:
486.6914
SMILES:
NC1CCC(CC2CCC(CC2)N(Cc2ccccn2)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(-.44,-44.44,;-1.76,-45.23,;-1.75,-46.77,;-3.08,-47.55,;-4.42,-46.78,;-5.74,-47.57,;-5.72,-49.11,;-4.37,-49.87,;-4.35,-51.42,;-5.69,-52.21,;-7.05,-51.46,;-7.06,-49.9,;-5.66,-53.77,;-6.98,-54.56,;-8.33,-53.81,;-8.35,-52.27,;-9.69,-51.52,;-11.02,-52.31,;-10.99,-53.86,;-9.64,-54.6,;-4.31,-54.52,;-4.28,-56.08,;-2.98,-53.73,;-1.64,-54.46,;-.31,-53.69,;1.05,-54.42,;2.45,-53.78,;3.49,-54.91,;2.73,-56.25,;3.22,-57.7,;2.22,-58.86,;.71,-58.56,;.22,-57.11,;1.22,-55.95,;-4.43,-45.25,;-3.1,-44.47,)|
Structure:
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