Reaction Details Report a problem with these data
Target
Melanocortin receptor 5
Ligand
BDBM50026885
Substrate
n/a
Meas. Tech.
ChEMBL_106525 (CHEMBL713029)
IC50
7100±n/a nM
Citation
 Grieco, P; Balse, PM; Weinberg, D; MacNeil, T; Hruby, VJ D-Amino acid scan of gamma-melanocyte-stimulating hormone: importance of Trp(8) on human MC3 receptor selectivity. J Med Chem 43:4998-5002 (2001) [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:
BDBM50026885
Synonyms:
CHEMBL2112008
Type:
Small organic molecule
Emp. Form.:
C74H99N21O16S
Mol. Mass.:
1570.774
SMILES:
CSCC[C@H](NC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=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(O)=O |wU:32.33,97.102,12.13,8.22,4.3,53.56,wD:78.83,64.67,42.44,86.91,(-10.36,-4.3,;-11.68,-5.11,;-11.66,-6.63,;-13,-7.42,;-12.98,-8.94,;-14.31,-9.72,;-15.64,-8.98,;-15.68,-7.45,;-16.98,-9.76,;-18.29,-9.01,;-19.62,-9.79,;-19.59,-11.32,;-20.98,-9.04,;-22.29,-9.82,;-20.99,-7.48,;-19.68,-6.7,;-19.68,-5.17,;-18.32,-4.39,;-16.99,-5.14,;-15.69,-4.36,;-16.99,-6.68,;-18.32,-7.46,;-16.94,-11.3,;-18.28,-12.08,;-15.61,-12.07,;-11.64,-9.69,;-11.63,-11.23,;-10.31,-8.92,;-8.97,-9.69,;-7.64,-8.91,;-7.66,-7.36,;-6.31,-9.66,;-4.98,-8.88,;-5,-7.35,;-3.66,-6.54,;-2.24,-7.15,;-1.24,-6.02,;-2.02,-4.68,;-3.51,-5.01,;-3.64,-9.63,;-3.61,-11.17,;-2.31,-8.85,;-.98,-9.61,;-.94,-11.16,;.39,-11.9,;.4,-13.43,;1.76,-14.19,;3.07,-13.41,;3.06,-11.87,;1.72,-11.12,;.36,-8.82,;.34,-7.29,;1.7,-9.59,;3.02,-8.79,;3,-7.25,;4.34,-6.47,;4.33,-4.94,;5.66,-4.16,;5.63,-2.6,;6.96,-1.82,;4.36,-2.31,;4.37,-9.56,;4.39,-11.07,;5.69,-8.76,;7.02,-9.53,;7.06,-11.07,;8.39,-11.84,;9.79,-11.19,;10.83,-12.33,;10.08,-13.66,;10.57,-15.12,;9.54,-16.27,;8.03,-15.97,;7.55,-14.51,;8.56,-13.35,;8.36,-8.75,;8.36,-7.2,;9.69,-9.5,;11.03,-8.72,;12.37,-9.46,;13.69,-8.68,;15.04,-9.44,;13.69,-7.15,;11.03,-7.19,;12.34,-6.41,;9.67,-6.42,;9.66,-4.88,;10.97,-4.1,;10.96,-2.57,;12.29,-1.76,;12.27,-.23,;13.59,.55,;13.59,2.07,;14.94,-.21,;8.33,-4.13,;6.99,-4.91,;8.29,-2.57,;7.19,1.07,;4.68,1.91,;2.21,1.52,;2.24,.03,;.91,-.78,;-.42,-.03,;-.46,1.52,;.88,2.3,;7.17,2.59,;8.49,3.37,;5.82,3.34,;5.82,4.9,;4.47,5.65,;4.46,7.21,;3.15,4.87,)|
Structure:
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