Reaction Details Report a problem with these data
Target
Melanocortin receptor 5
Ligand
BDBM50217636
Substrate
n/a
Meas. Tech.
ChEMBL_448695 (CHEMBL897841)
Ki
37000±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:
BDBM50217636
Synonyms:
1-((1r,4r)-4-aminocyclohexyl)-3-(3-(N-benzyl-4-(1H-indol-3-yl)butanamido)cyclohexyl)urea | CHEMBL238369
Type:
Small organic molecule
Emp. Form.:
C32H43N5O2
Mol. Mass.:
529.7161
SMILES:
N[C@H]1CC[C@@H](CC1)NC(=O)NC1CCCC(C1)N(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12 |wU:4.7,wD:1.0,(16.63,-2.49,;15.28,-3.23,;13.96,-2.42,;12.6,-3.16,;12.58,-4.7,;13.89,-5.5,;15.24,-4.77,;11.23,-5.44,;9.91,-4.64,;9.94,-3.1,;8.56,-5.38,;7.21,-6.11,;5.89,-5.31,;4.53,-6.04,;4.5,-7.59,;5.82,-8.38,;7.16,-7.65,;5.83,-9.93,;4.47,-10.82,;3.02,-10.08,;2.94,-8.46,;1.49,-7.72,;.13,-8.61,;.22,-10.24,;1.67,-10.97,;7.13,-10.73,;7.1,-12.25,;8.48,-9.99,;9.8,-10.79,;11.15,-10.05,;12.13,-10.31,;12.79,-11.71,;14.31,-11.51,;14.6,-10,;15.91,-9.21,;15.87,-7.67,;14.52,-6.94,;13.22,-7.73,;13.26,-9.26,)|
Structure:
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