Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50454619
Substrate
n/a
Meas. Tech.
ChEMBL_69110 (CHEMBL678735)
EC50
17±n/a nM
Citation
 Haskell-Luevano, C; Toth, K; Boteju, L; Job, C; Castrucci, AM; Hadley, ME; Hruby, VJ beta-Methylation of the Phe7 and Trp9 melanotropin side chain pharmacophores affects ligand-receptor interactions and prolonged biological activity. J Med Chem 40:2740-9 (1997) [PubMed]  Article 
Target
Name:
Melanocyte-stimulating hormone receptor
Synonyms:
MC1-R | MC1R | MSH-R | MSHR | MSHR_HUMAN | Melanocortin MC1 | Melanocortin receptor (M1 and M4) | Melanocortin receptor 1 (MC-1) | Melanocortin receptor 1 (MC1-R) | Melanocortin receptor 1 (MC1R)
Type:
Enzyme
Mol. Mass.:
34717.23
Organism:
Homo sapiens (Human)
Description:
Q01726
Residue:
317
Sequence:
MAVQGSQRRLLGSLNSTPTAIPQLGLAANQTGARCLEVSISDGLFLSLGLVSLVENALVVATIAKNRNLHSPMYCFICCLALSDLLVSGSNVLETAVILLLEAGALVARAAVLQQLDNVIDVITCSSMLSSLCFLGAIAVDRYISIFYALRYHSIVTLPRARRAVAAIWVASVVFSTLFIAYYDHVAVLLCLVVFFLAMLVLMAVLYVHMLARACQHAQGIARLHKRQRPVHQGFGLKGAVTLTILLGIFFLCWGPFFLHLTLIVLCPEHPTCGCIFKNFNLFLALIICNAIIDPLIYAFHSQELRRTLKEVLTCSW
  
Inhibitor
Name:
BDBM50454619
Synonyms:
CHEMBL2114258
Type:
Small organic molecule
Emp. Form.:
C51H71N15O9
Mol. Mass.:
1038.2045
SMILES:
[H][C@@]1(NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O)[C@@H](C)c1ccccc1 |wU:28.29,5.5,59.67,68.72,42.45,1.0,wD:15.59,24.56,(5.66,-.67,;7.34,-1.48,;5.93,-2.08,;4.73,-3.06,;3.6,-2.01,;3.84,-4.32,;2.47,-3.62,;2.41,-2.08,;3.61,-1.12,;3.06,.33,;1.52,.26,;1.12,-1.22,;3.32,-5.78,;3.22,-7.32,;1.68,-7.42,;3.53,-8.82,;4.24,-10.19,;5.3,-11.31,;4.32,-12.52,;6.62,-12.12,;8.09,-12.54,;9.63,-12.54,;11.12,-12.12,;12.44,-11.31,;13.49,-10.19,;14.2,-8.82,;14.52,-7.32,;16.06,-7.42,;14.41,-5.78,;15.92,-5.46,;17.36,-6.02,;18.6,-5.11,;19.84,-6.02,;19.37,-7.49,;20.14,-8.82,;19.37,-10.14,;17.83,-10.14,;17.06,-8.82,;17.83,-7.49,;13.9,-4.32,;13.01,-3.06,;14.13,-2.01,;11.81,-2.08,;12.61,-.78,;14.15,-.82,;14.94,.5,;16.48,.48,;17.3,1.79,;18.84,1.75,;16.55,3.14,;10.39,-1.48,;8.86,-1.27,;8.82,-.08,;14.75,-11.08,;16.16,-10.44,;14.62,-12.61,;2.08,-9.34,;1.8,-10.86,;2.97,-11.86,;.36,-11.38,;-.83,-10.38,;-.55,-8.86,;-1.72,-7.86,;-1.44,-6.35,;.07,-12.89,;1.15,-13.98,;.75,-15.46,;2.64,-13.59,;6.93,,;5.44,.41,;8,1.11,;7.58,2.59,;8.67,3.7,;10.16,3.31,;10.58,1.83,;9.49,.72,)|
Structure:
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