Reaction Details Report a problem with these data
Target
Melanocortin receptor 5
Ligand
BDBM50389773
Substrate
n/a
Meas. Tech.
ChEMBL_834299 (CHEMBL2073119)
Ki
1.2±n/a nM
Citation
 Conde-Frieboes, K; Thøgersen, H; Lau, JF; Sensfuss, U; Hansen, TK; Christensen, L; Spetzler, J; Olsen, HB; Nilsson, C; Raun, K; Dahl, K; Hansen, BS; Wulff, BS Identification and in vivo and in vitro characterization of long acting and melanocortin 4 receptor (MC4-R) selectivea-melanocyte-stimulating hormone (a-MSH) analogues. J Med Chem 55:1969-77 (2012) [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:
BDBM50389773
Synonyms:
CHEMBL2070246
Type:
Small organic molecule
Emp. Form.:
C87H134N22O21S
Mol. Mass.:
1856.195
SMILES:
CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[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]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:70.70,120.129,109.112,98.101,80.133,31.30,37.36,wD:46.45,56.56,62.62,84.85,122.126,(11.68,.45,;10.14,.48,;9.34,-.84,;7.8,-.82,;7.01,-2.14,;5.47,-2.11,;4.72,-.76,;3.18,-.73,;2.44,.61,;.9,.64,;.15,1.99,;-1.39,2.01,;-2.13,3.36,;-3.67,3.39,;-4.42,4.74,;-5.96,4.76,;-6.71,6.1,;-6.75,3.44,;-8.3,3.48,;-9.64,4.25,;-8.3,5.02,;-9.09,2.15,;-10.63,2.18,;-11.43,.86,;-10.67,-.49,;-9.13,-.52,;-11.48,-1.81,;-10.72,-3.16,;-9.18,-3.18,;-8.39,-1.86,;-8.43,-4.53,;-6.89,-4.56,;-6.1,-3.23,;-4.56,-3.26,;-6.15,-5.9,;-4.6,-5.92,;-6.94,-7.22,;-6.19,-8.57,;-4.65,-8.6,;-3.85,-7.27,;-2.32,-7.3,;-1.57,-8.64,;-1.52,-5.98,;-6.98,-9.88,;-8.52,-9.86,;-6.23,-11.23,;-7.02,-12.55,;-8.56,-12.53,;-9.35,-13.85,;-8.75,-15.27,;-9.91,-16.28,;-11.25,-15.49,;-10.89,-13.99,;-6.27,-13.9,;-4.73,-13.92,;-7.06,-15.22,;-6.31,-16.57,;-7.1,-17.88,;-8.65,-17.86,;-4.77,-16.6,;-3.99,-15.27,;-4.03,-17.94,;-2.49,-17.96,;-1.74,-19.31,;-2.54,-20.63,;-1.79,-21.98,;-2.58,-23.3,;-1.7,-16.64,;-2.45,-15.3,;-.15,-16.67,;.63,-15.35,;.06,-13.92,;1.1,-12.29,;1.09,-3.98,;-0,-2.9,;23.07,-3.93,;23.04,-9.13,;21.7,-9.88,;21.67,-11.42,;20.33,-12.17,;20.31,-13.71,;18.96,-14.46,;17.64,-13.67,;17.66,-12.13,;16.3,-14.42,;16.27,-15.97,;17.59,-16.75,;19,-16.14,;20.02,-17.3,;19.23,-18.62,;19.69,-20.09,;18.64,-21.23,;17.14,-20.89,;16.69,-19.41,;17.73,-18.28,;14.97,-13.63,;13.63,-14.39,;13.6,-15.92,;12.3,-13.6,;12.32,-12.05,;13.67,-11.3,;13.7,-9.76,;15.03,-9.01,;15.06,-7.48,;13.74,-6.69,;16.4,-6.72,;10.96,-14.34,;9.63,-13.56,;9.66,-12.02,;8.29,-14.3,;8.27,-15.85,;9.59,-16.64,;10.94,-15.88,;12.26,-16.67,;12.23,-18.21,;10.89,-18.96,;9.57,-18.17,;6.97,-13.51,;5.63,-14.27,;5.6,-15.8,;4.31,-13.48,;4.41,-11.92,;2.77,-11.57,;2.09,-10.04,;1.92,-13.01,;3.03,-14.28,;2.16,-15.56,;2.83,-16.95,;21.63,-14.5,;22.97,-13.75,;21.6,-16.04,)|
Structure:
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