Reaction Details Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM50389783
Substrate
n/a
Meas. Tech.
ChEMBL_834301 (CHEMBL2073121)
EC50
0.040000±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 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:
BDBM50389783
Synonyms:
CHEMBL2070245
Type:
Small organic molecule
Emp. Form.:
C84H134N22O18
Mol. Mass.:
1740.0994
SMILES:
CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN=C(N)N)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:22.21,28.27,63.62,113.121,102.104,91.93,73.125,wD:37.36,49.48,55.54,77.77,115.118,(23.51,-35.85,;21.97,-35.83,;21.23,-34.48,;19.69,-34.45,;18.94,-33.11,;17.4,-33.08,;16.61,-34.4,;15.07,-34.37,;14.28,-35.69,;12.74,-35.66,;11.99,-34.32,;10.45,-34.29,;9.7,-32.94,;8.16,-32.92,;7.37,-34.24,;8.12,-35.58,;9.66,-35.61,;7.32,-36.9,;8.07,-38.25,;9.61,-38.28,;10.4,-36.95,;10.36,-39.62,;11.9,-39.65,;12.69,-38.33,;14.23,-38.35,;12.65,-40.99,;14.19,-41.02,;11.85,-42.31,;12.6,-43.66,;14.15,-43.69,;14.94,-42.36,;16.48,-42.39,;17.22,-43.74,;17.27,-41.07,;11.81,-44.98,;10.28,-44.95,;12.56,-46.33,;11.77,-47.65,;10.23,-47.62,;9.44,-48.94,;7.9,-48.91,;7.11,-50.23,;5.57,-50.2,;4.77,-51.52,;3.23,-51.49,;5.52,-52.87,;12.52,-48.99,;14.06,-49.02,;11.73,-50.31,;12.48,-51.66,;11.69,-52.98,;10.14,-52.95,;14.02,-51.69,;14.81,-50.36,;14.77,-53.03,;16.3,-53.05,;17.05,-54.4,;16.26,-55.72,;17,-57.07,;16.21,-58.39,;17.09,-51.74,;16.35,-50.39,;18.64,-51.76,;19.42,-50.44,;18.85,-49.01,;19.89,-47.39,;19.88,-39.08,;18.79,-37.99,;41.87,-39.02,;41.83,-44.22,;40.49,-44.97,;40.46,-46.51,;39.12,-47.26,;39.1,-48.81,;37.75,-49.55,;36.43,-48.76,;36.45,-47.23,;35.09,-49.52,;35.06,-51.06,;36.38,-51.84,;37.8,-51.24,;38.81,-52.4,;38.02,-53.72,;38.48,-55.19,;37.43,-56.32,;35.93,-55.98,;35.48,-54.51,;36.52,-53.38,;33.76,-48.73,;32.42,-49.48,;32.39,-51.01,;31.09,-48.69,;31.12,-47.15,;32.46,-46.39,;32.49,-44.86,;33.82,-44.11,;33.85,-42.57,;32.53,-41.78,;35.2,-41.82,;29.75,-49.43,;28.43,-48.65,;28.45,-47.11,;27.09,-49.4,;27.06,-50.94,;28.38,-51.73,;29.73,-50.98,;31.05,-51.77,;31.02,-53.3,;29.69,-54.06,;28.36,-53.27,;25.76,-48.61,;24.42,-49.36,;24.39,-50.9,;23.1,-48.57,;23.2,-47.02,;21.56,-46.66,;20.88,-45.13,;20.71,-48.11,;21.82,-49.38,;20.95,-50.66,;21.62,-52.04,;40.42,-49.6,;41.77,-48.84,;40.4,-51.13,)|
Structure:
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