Reaction Details Report a problem with these data
Target
Melanocortin receptor 4
Ligand
BDBM50220699
Substrate
n/a
Meas. Tech.
ChEMBL_457383 (CHEMBL941902)
IC50
6.8±n/a nM
Citation
 Sebhat, IK; Lai, Y; Barakat, K; Ye, Z; Tang, R; Kalyani, RN; Vongs, A; Macneil, T; Weinberg, DH; Cabello, MA; Maroto, M; Teran, A; Fong, TM; Van der Ploeg, LH; Patchett, AA; Nargund, RP Melanocortin subtype 4 receptor agonists: structure-activity relationships about the 4-alkyl piperidine core. Bioorg Med Chem Lett 17:5720-3 (2007) [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:
Human
Description:
P32245
Residue:
332
Sequence:
MVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCYPLGGLCDLSSRY
  
Inhibitor
Name:
BDBM50220699
Synonyms:
(R)-N-((S)-1-(4-(tert-butylcarbamoyl)-4-(4-methylcyclohexyl)piperidin-1-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl)-4-methylpiperazine-2-carboxamide | CHEMBL249321
Type:
Small organic molecule
Emp. Form.:
C32H50FN5O3
Mol. Mass.:
571.7695
SMILES:
CC1CCC(CC1)C1(CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CN(C)CCN1)C(=O)NC(C)(C)C |wU:27.29,wD:15.26,(5.43,-14.96,;4.11,-15.74,;4.11,-17.28,;2.79,-18.06,;1.45,-17.3,;1.43,-15.76,;2.77,-14.98,;.13,-18.08,;1.46,-18.85,;1.46,-20.39,;.12,-21.15,;-1.21,-20.4,;-1.2,-18.85,;.13,-22.69,;1.46,-23.46,;-1.2,-23.47,;-1.2,-25.01,;.14,-25.77,;.13,-27.31,;1.47,-28.08,;2.8,-27.3,;4.14,-28.07,;2.79,-25.75,;1.45,-25,;-2.54,-22.7,;-3.87,-23.47,;-3.87,-25.01,;-5.21,-22.71,;-6.55,-23.49,;-7.89,-22.72,;-9.22,-23.49,;-7.9,-21.16,;-6.56,-20.38,;-5.21,-21.15,;-1.2,-17.31,;-2.54,-18.08,;-1.2,-15.77,;-2.54,-15,;-1.78,-13.66,;-3.32,-16.33,;-3.88,-14.24,)|
Structure:
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