Reaction Details Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM50230820
Substrate
n/a
Meas. Tech.
ChEMBL_460497 (CHEMBL926577)
IC50
>1000±n/a nM
Citation
 Mayorov, AV; Cai, M; Palmer, ES; Dedek, MM; Cain, JP; Van Scoy, AR; Tan, B; Vagner, J; Trivedi, D; Hruby, VJ Structure-activity relationships of cyclic lactam analogues of alpha-melanocyte-stimulating hormone (alpha-MSH) targeting the human melanocortin-3 receptor. J Med Chem 51:187-95 (2008) [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:
BDBM50230820
Synonyms:
CHEMBL253789 | c[CO-2,3-pyrazine-CO-D-Nal(2)-Arg-Trp-Lys]-NH2
Type:
Small organic molecule
Emp. Form.:
C42H48N12O6
Mol. Mass.:
816.9073
SMILES:
NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)c2nccnc2C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O |wU:43.46,7.6,wD:11.11,39.62,(1.05,-35.53,;-.28,-36.3,;-1.62,-35.53,;-.28,-37.84,;-1.62,-38.61,;-1.62,-40.15,;-2.95,-40.92,;-2.95,-42.46,;-4.29,-43.23,;-5.62,-42.46,;-5.62,-40.92,;-6.96,-43.23,;-8.29,-42.46,;-8.29,-40.92,;-6.95,-40.16,;-6.95,-38.62,;-8.28,-37.85,;-8.29,-36.3,;-9.65,-35.53,;-10.99,-36.33,;-10.97,-37.88,;-9.62,-38.64,;-9.62,-40.16,;-6.96,-44.78,;-8.29,-45.54,;-9.62,-44.78,;-8.29,-47.08,;-9.63,-47.85,;-9.63,-49.39,;-8.29,-50.16,;-6.96,-49.38,;-6.97,-47.85,;-5.64,-47.08,;-5.64,-45.55,;-4.31,-47.84,;-4.31,-49.38,;-5.64,-50.14,;-2.95,-51.69,;-2.98,-50.14,;-1.62,-49.4,;-1.62,-47.86,;-.28,-47.08,;1.05,-47.86,;-.28,-45.54,;1.05,-44.78,;2.38,-45.54,;2.55,-47.07,;4.06,-47.39,;4.82,-46.06,;6.32,-45.74,;6.8,-44.28,;5.77,-43.14,;4.27,-43.46,;3.79,-44.91,;-1.62,-44.78,;-1.62,-43.23,;-.28,-42.46,;-.29,-50.16,;1.03,-49.4,;-.29,-51.69,)|
Structure:
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