Reaction Details Report a problem with these data
Target
Melanocortin receptor 5
Ligand
BDBM50389774
Substrate
n/a
Meas. Tech.
ChEMBL_834299 (CHEMBL2073119)
Ki
15±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:
BDBM50389774
Synonyms:
CHEMBL2070247
Type:
Small organic molecule
Emp. Form.:
C90H138N26O21
Mol. Mass.:
1920.2203
SMILES:
CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)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:76.77,126.136,115.119,104.108,86.140,33.36,24.30,wD:8.10,4.4,90.92,128.133,14.21,(28.38,-21.15,;29.18,-19.83,;28.43,-18.48,;29.23,-17.16,;28.47,-15.81,;26.94,-15.79,;26.19,-14.45,;26.98,-13.12,;24.65,-14.42,;23.86,-15.74,;22.31,-15.71,;23.9,-13.07,;24.69,-11.75,;26.23,-11.78,;23.94,-10.41,;22.41,-10.38,;21.61,-11.7,;22.21,-13.12,;21.06,-14.13,;19.73,-13.34,;20.08,-11.84,;24.73,-9.09,;23.98,-7.74,;22.45,-7.71,;24.77,-6.42,;26.32,-6.45,;27.11,-5.12,;28.65,-5.15,;29.39,-6.5,;29.44,-3.83,;24.03,-5.07,;24.82,-3.75,;26.36,-3.78,;24.07,-2.41,;24.86,-1.09,;26.4,-1.11,;22.53,-2.38,;21.78,-1.04,;22.57,.29,;20.24,-1.01,;19.5,.34,;20.29,1.66,;21.83,1.63,;19.54,3,;20.34,4.32,;21.88,4.3,;22.62,2.95,;24.16,2.92,;24.91,1.58,;26.45,1.55,;27.24,2.87,;28.78,2.84,;29.53,1.49,;29.57,4.16,;31.11,4.13,;31.86,2.79,;33.4,2.76,;34.15,1.41,;35.69,1.39,;36.43,.04,;37.97,.01,;38.72,-1.34,;40.26,-1.36,;41.05,-.04,;40.31,1.3,;41.1,2.62,;40.35,3.97,;41.15,5.29,;40.4,6.64,;38.86,6.83,;38.58,8.33,;39.91,9.08,;41.05,8.03,;29.27,-14.5,;28.52,-13.15,;30.81,-14.52,;31.6,-13.2,;31.02,-11.77,;32.07,-10.15,;32.05,-1.84,;30.96,-.75,;54.04,-1.78,;54.01,-6.98,;52.66,-7.73,;52.63,-9.27,;51.29,-10.02,;51.27,-11.57,;49.93,-12.31,;48.6,-11.52,;48.62,-9.99,;47.26,-12.28,;47.24,-13.82,;48.55,-14.6,;49.97,-14,;50.99,-15.16,;50.2,-16.48,;50.65,-17.95,;49.6,-19.08,;48.1,-18.74,;47.65,-17.27,;48.69,-16.14,;45.93,-11.49,;44.59,-12.24,;44.57,-13.77,;43.26,-11.45,;43.29,-9.91,;44.63,-9.15,;44.66,-7.62,;46,-6.87,;46.02,-5.33,;44.7,-4.54,;47.37,-4.58,;41.92,-12.19,;40.6,-11.41,;40.62,-9.87,;39.26,-12.16,;39.23,-13.7,;40.56,-14.49,;41.9,-13.74,;43.22,-14.53,;43.2,-16.06,;41.86,-16.82,;40.54,-16.03,;37.94,-11.37,;36.59,-12.12,;36.57,-13.66,;35.27,-11.33,;35.37,-9.78,;33.73,-9.42,;33.05,-7.89,;32.88,-10.87,;33.99,-12.14,;33.13,-13.42,;33.79,-14.8,;52.59,-12.36,;53.94,-11.6,;52.57,-13.89,)|
Structure:
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