Reaction Details Report a problem with these data
Target
Melanocortin receptor 5
Ligand
BDBM50001505
Substrate
n/a
Meas. Tech.
ChEMBL_106515 (CHEMBL713019)
EC50
>10000±n/a nM
Citation
 Balse-Srinivasan, P; Grieco, P; Cai, M; Trivedi, D; Hruby, VJ Structure-activity relationships of novel cyclic alpha-MSH/beta-MSH hybrid analogues that lead to potent and selective ligands for the human MC3R and human MC5R. J Med Chem 46:3728-33 (2003) [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:
BDBM50001505
Synonyms:
CHEMBL2112604
Type:
Small organic molecule
Emp. Form.:
C68H94N18O16S2
Mol. Mass.:
1483.715
SMILES:
CC(=O)[C@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)CN1CCC[C@H]1C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(O)=O)C(N)=O |wU:8.71,96.103,81.88,48.51,37.39,26.28,wD:73.79,12.12,3.2,86.92,58.62,(-2.26,-11.08,;-3.22,-9.89,;-4.74,-10.12,;-2.66,-8.39,;-1.17,-8.79,;.38,-8.72,;1.85,-8.24,;3.13,-7.37,;4.21,-6.27,;4.77,-4.8,;5.02,-3.27,;6.56,-3.3,;4.84,-1.74,;6.34,-1.35,;7.83,-1.75,;8.11,-3.25,;9.65,-3.46,;10.3,-2.06,;11.78,-1.62,;12.13,-.12,;11,.95,;9.53,.49,;9.18,-1,;4.26,-.29,;3.32,.93,;4.4,2.02,;2.08,1.84,;2.81,3.19,;4.35,3.22,;5.1,4.59,;6.64,4.62,;7.39,5.97,;8.93,6,;6.59,7.3,;.63,2.38,;-.9,2.52,;-.98,4.06,;-2.43,2.24,;-2.91,3.71,;-2.51,5.21,;-3.61,6.3,;-3.22,7.79,;-1.74,8.18,;-.63,7.12,;-1.02,5.62,;-3.82,1.56,;-4.97,.54,;-6.14,1.54,;-5.81,-.76,;-7.21,-.12,;-7.35,1.42,;-6.18,2.44,;-6.8,3.87,;-8.33,3.73,;-8.68,2.22,;-6.25,-2.24,;-6.28,-3.79,;-7.82,-3.96,;-5.9,-5.29,;-7.33,-5.87,;-8.56,-4.91,;-9.99,-5.5,;-11.2,-4.55,;-10.2,-7.03,;-5.13,-6.62,;-4.03,-7.69,;-4.94,-8.95,;5.43,-7.03,;4.41,-8.09,;5.82,-8.51,;4.8,-9.53,;5.45,-10.82,;6.87,-10.61,;6.89,-9.27,;7.99,-8.53,;8,-7.19,;9.16,-9.16,;10.51,-8.39,;9.48,-7.38,;10.12,-6.08,;11.56,-6.29,;11.56,-7.64,;12.67,-8.37,;12.67,-9.7,;13.83,-7.75,;14.96,-8.46,;16.02,-9.23,;16.02,-10.57,;17.18,-11.22,;17.18,-12.55,;18.32,-13.22,;18.32,-14.54,;17.12,-8.48,;17.13,-7.13,;18.3,-9.09,;19.64,-8.34,;20.69,-7.58,;20.69,-6.24,;21.85,-5.57,;23.12,-5.92,;21.85,-4.24,;21.8,-8.3,;21.71,-9.65,;22.99,-7.72,)|
Structure:
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