Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50454617
Substrate
n/a
Meas. Tech.
ChEMBL_69110 (CHEMBL678735)
EC50
0.440000±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:
BDBM50454617
Synonyms:
CHEMBL2115249
Type:
Small organic molecule
Emp. Form.:
C51H71N15O9
Mol. Mass.:
1038.2045
SMILES:
[H][C@]1(NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(=O)NCCCC[C@@H](NC1=O)C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O)[C@@H](C)c1c[nH]c2ccccc12 |wU:46.52,27.28,56.63,65.68,5.5,wD:37.55,16.16,1.0,(15.33,-6.89,;14.41,-8.51,;13.9,-7.06,;13.01,-5.8,;14.13,-4.75,;11.81,-4.82,;12.61,-3.5,;14.15,-3.55,;14.94,-2.22,;16.48,-2.26,;17.3,-.94,;18.84,-.99,;16.55,.41,;10.39,-4.22,;8.86,-4.01,;8.82,-2.8,;7.34,-4.22,;6.93,-2.73,;8,-1.63,;7.58,-.15,;8.67,.97,;10.16,.57,;10.58,-.91,;9.49,-2.01,;5.93,-4.82,;4.73,-5.8,;3.6,-4.75,;3.84,-7.06,;2.47,-6.35,;2.41,-4.81,;3.61,-3.85,;3.06,-2.41,;1.52,-2.48,;1.12,-3.96,;3.32,-8.51,;3.22,-10.05,;1.68,-10.16,;3.53,-11.56,;4.24,-12.93,;5.3,-14.05,;4.32,-15.25,;6.62,-14.85,;8.09,-15.27,;9.63,-15.27,;11.12,-14.85,;12.44,-14.05,;13.49,-12.93,;14.2,-11.56,;14.52,-10.05,;16.05,-10.16,;14.75,-13.82,;16.16,-13.17,;14.62,-15.36,;2.08,-12.08,;1.8,-13.59,;2.97,-14.59,;.36,-14.11,;-.83,-13.1,;-.55,-11.59,;-1.72,-10.59,;-1.44,-9.07,;.07,-15.62,;1.15,-16.71,;.75,-18.2,;2.64,-16.32,;15.91,-8.2,;15.9,-6.66,;17.36,-8.75,;18.6,-7.84,;19.84,-8.75,;19.37,-10.21,;20.14,-11.56,;19.37,-12.89,;17.83,-12.89,;17.06,-11.54,;17.83,-10.21,)|
Structure:
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