Reaction Details Report a problem with these data
Target
Melanocortin receptor 5
Ligand
BDBM50268804
Substrate
n/a
Meas. Tech.
ChEMBL_523579 (CHEMBL997229)
EC50
<0.1±n/a nM
Comments
Zero 20220115
Citation
 Qu, H; Cai, M; Mayorov, AV; Grieco, P; Zingsheim, M; Trivedi, D; Hruby, VJ Substitution of arginine with proline and proline derivatives in melanocyte-stimulating hormones leads to selectivity for human melanocortin 4 receptor. J Med Chem 52:3627-35 (2009) [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:
BDBM50268804
Synonyms:
Ac-Tyr-Val-Nle-Gly-His-DPhe-Pro-Trp-Asp-Arg-Phe-Gly-NH2 | CHEMBL526334
Type:
Small organic molecule
Emp. Form.:
C76H99N19O16
Mol. Mass.:
1534.717
SMILES:
CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r,wU:8.8,45.46,59.63,96.101,35.35,77.82,wD:4.4,12.21,63.66,85.90,(2.68,-6.73,;1.36,-7.52,;.01,-6.75,;-1.31,-7.53,;-2.65,-6.78,;-3.99,-7.57,;-3.97,-9.11,;-2.62,-9.86,;-5.3,-9.89,;-5.28,-11.43,;-6.61,-12.22,;-7.94,-11.46,;-6.59,-13.75,;-5.25,-14.51,;-3.92,-13.72,;-3.94,-12.19,;-2.61,-11.4,;-1.26,-12.16,;.06,-11.37,;-1.25,-13.71,;-2.58,-14.49,;-7.92,-14.54,;-7.92,-16.08,;-9.23,-16.86,;-6.56,-16.83,;-6.64,-9.14,;-6.65,-7.59,;-7.95,-9.92,;-2.67,-5.24,;-4.01,-4.49,;-1.35,-4.46,;-1.37,-2.92,;-.03,-2.13,;1.32,-2.89,;-.05,-.59,;1.27,.2,;1.26,1.73,;-.08,2.49,;-.25,4.02,;-1.77,4.33,;-2.52,2.99,;-1.48,1.85,;2.62,-.57,;2.64,-2.11,;3.94,.22,;5.29,-.54,;5.31,-2.09,;6.64,-2.84,;6.66,-4.39,;8,-5.15,;9.32,-4.36,;9.3,-2.82,;7.96,-2.06,;6.65,.17,;7.9,-.73,;6.72,1.71,;5.7,2.87,;6.48,4.19,;7.98,3.86,;8.13,2.32,;9.45,1.54,;9.44,-0,;10.8,2.29,;12.11,1.49,;12.1,-.05,;13.38,-.9,;14.82,-.37,;15.78,-1.58,;14.93,-2.86,;15.31,-4.35,;14.21,-5.43,;12.73,-5.02,;12.34,-3.52,;13.44,-2.45,;13.46,2.25,;13.47,3.79,;14.78,1.46,;16.13,2.22,;16.14,3.76,;17.48,4.52,;18.82,3.75,;17.5,6.06,;17.45,1.44,;17.43,-.1,;18.79,2.2,;20.11,1.4,;20.09,-.14,;21.42,-.92,;21.41,-2.46,;22.74,-3.24,;22.71,-4.78,;21.38,-5.53,;24.05,-5.55,;21.45,2.16,;21.46,3.7,;22.79,1.39,;24.13,2.15,;24.14,3.68,;25.48,4.44,;26.81,3.66,;28.16,4.41,;28.17,5.95,;26.84,6.74,;25.51,5.98,;25.46,1.36,;25.44,-.18,;26.8,2.12,;28.12,1.33,;29.46,2.09,;30.79,1.3,;29.47,3.63,)|
Structure:
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