Reaction Details Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM50428121
Substrate
n/a
Meas. Tech.
ChEMBL_976661 (CHEMBL2417036)
Ki
4.3±n/a nM
Citation
 Alleti, R; Vagner, J; Dehigaspitiya, DC; Moberg, VE; Elshan, NG; Tafreshi, NK; Brabez, N; Weber, CS; Lynch, RM; Hruby, VJ; Gillies, RJ; Morse, DL; Mash, EA Synthesis and characterization of time-resolved fluorescence probes for evaluation of competitive binding to melanocortin receptors. Bioorg Med Chem 21:5029-38 (2013) [PubMed]  Article 
Target
Name:
Melanocortin receptor 4
Synonyms:
MC4-R | MC4R | MC4R_HUMAN | Melanocortin MC4 | Melanocortin receptor 4 (MC-4) | Melanocortin receptor 4 (MC4-R) | Melanocortin receptor 4 (MC4R)
Type:
Enzyme
Mol. Mass.:
36949.50
Organism:
Homo sapiens (Human)
Description:
P32245
Residue:
332
Sequence:
MVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCYPLGGLCDLSSRY
  
Inhibitor
Name:
BDBM50428121
Synonyms:
CHEMBL2331674
Type:
Small organic molecule
Emp. Form.:
C130H166N48O21
Mol. Mass.:
2737.018
SMILES:
NC(=O)CCNC(=O)C(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)(CCCNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1)NC(=O)CNC(=O)Cn1cc(CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)nn1 |r,wU:183.194,56.57,119.125,wD:151.160,161.171,172.183,45.46,97.102,34.34,24.23,108.114,87.91,(43.34,-23.24,;42.87,-24.71,;43.9,-25.84,;41.37,-25.04,;40.9,-26.5,;39.4,-26.83,;38.94,-28.29,;39.97,-29.43,;37.43,-28.62,;37.49,-27.07,;36.45,-25.95,;36.91,-24.48,;35.87,-23.35,;36.17,-21.84,;35.01,-20.82,;37.63,-21.35,;37.93,-19.84,;39.33,-19.19,;39.16,-17.66,;40.29,-16.62,;41.75,-17.08,;42.88,-16.04,;42.55,-14.54,;44.35,-16.5,;45.69,-15.76,;47.02,-16.56,;48.38,-15.83,;48.57,-14.3,;50.08,-14.01,;50.83,-15.36,;49.78,-16.48,;45.73,-14.22,;44.42,-13.41,;47.08,-13.48,;47.12,-11.94,;45.81,-11.14,;45.84,-9.59,;44.52,-8.79,;44.56,-7.25,;45.91,-6.51,;47.22,-7.31,;47.19,-8.85,;48.48,-11.2,;49.8,-12,;48.51,-9.65,;49.87,-8.92,;51.18,-9.72,;52.54,-8.98,;53.85,-9.77,;55.21,-9.04,;56.52,-9.83,;56.48,-11.37,;57.87,-9.09,;49.91,-7.37,;48.58,-6.56,;51.26,-6.63,;51.3,-5.09,;49.97,-4.28,;50,-2.74,;51.27,-1.87,;50.82,-.4,;49.29,-.36,;48.29,.81,;46.77,.55,;46.26,-.93,;47.26,-2.09,;48.77,-1.81,;52.64,-4.35,;52.68,-2.8,;53.95,-5.15,;37.65,-17.36,;36.89,-18.7,;35.88,-28.54,;34.83,-27.41,;33.33,-27.75,;32.29,-26.61,;30.75,-26.64,;30,-27.99,;29.96,-25.32,;28.43,-25.34,;27.49,-24.11,;26.03,-24.61,;24.78,-23.73,;23.38,-24.38,;22.13,-23.5,;22.26,-21.96,;20.74,-24.14,;19.4,-23.39,;19.39,-21.84,;18.05,-21.06,;16.65,-21.71,;15.61,-20.56,;16.37,-19.22,;17.87,-19.53,;18.06,-24.16,;18.07,-25.7,;16.73,-23.4,;15.4,-24.17,;15.4,-25.71,;14.07,-26.49,;12.73,-25.73,;11.41,-26.51,;11.42,-28.06,;12.76,-28.81,;14.09,-28.04,;14.06,-23.4,;14.05,-21.87,;12.72,-24.19,;11.39,-23.42,;11.39,-21.89,;10.04,-21.11,;10.04,-19.58,;8.69,-18.81,;8.68,-17.28,;7.34,-16.51,;10.02,-16.5,;10.05,-24.2,;10.06,-25.75,;8.71,-23.44,;7.37,-24.22,;7.38,-25.76,;6.06,-26.54,;4.66,-25.93,;3.63,-27.07,;4.4,-28.4,;3.93,-29.86,;4.97,-31.02,;6.48,-30.68,;6.95,-29.22,;5.91,-28.08,;6.05,-23.45,;4.71,-24.23,;6.04,-21.92,;26.06,-26.15,;27.53,-26.6,;36.97,-30.08,;35.46,-30.41,;34.43,-29.28,;35,-31.88,;33.49,-32.21,;33.03,-33.67,;34.07,-34.81,;31.53,-34,;31.06,-35.47,;29.6,-35.96,;29.61,-37.5,;28.37,-38.41,;26.96,-37.79,;25.72,-38.71,;25.89,-40.24,;24.31,-38.09,;22.99,-38.86,;21.64,-38.1,;20.31,-38.87,;20.16,-40.41,;18.66,-40.74,;17.87,-39.41,;18.89,-38.26,;22.99,-40.41,;24.33,-41.18,;21.66,-41.19,;21.67,-42.73,;23.01,-43.49,;23.01,-45.03,;24.36,-45.79,;24.37,-47.34,;23.04,-48.11,;21.7,-47.36,;21.69,-45.82,;20.33,-43.5,;19,-42.74,;20.35,-45.05,;19.02,-45.82,;17.69,-45.06,;16.34,-45.84,;15.01,-45.07,;13.67,-45.86,;12.34,-45.09,;12.33,-43.55,;11,-45.88,;19.02,-47.37,;20.37,-48.14,;17.7,-48.15,;17.7,-49.69,;19.04,-50.47,;19.06,-52,;17.82,-52.91,;18.3,-54.37,;19.84,-54.36,;20.87,-55.5,;22.38,-55.18,;22.85,-53.71,;21.81,-52.57,;20.31,-52.9,;16.37,-50.47,;16.37,-52.02,;15.04,-49.7,;31.07,-37.96,;31.97,-36.72,)|
Structure:
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