Reaction Details | |||
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Target | Melanocyte-stimulating hormone receptor | ||
Ligand | BDBM50217670 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_448689 (CHEMBL896689) | ||
Ki | 1900±n/a nM | ||
Citation | Mutulis, F; Kreicberga, J; Yahorava, S; Mutule, I; Borisova-Jan, L; Yahorau, A; Muceniece, R; Azena, S; Veiksina, S; Petrovska, R; Wikberg, JE Design and synthesis of a library of tertiary amides: evaluation as mimetics of the melanocortins' active core. Bioorg Med Chem15:5787-810 (2007) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Melanocyte-stimulating hormone receptor | |||
Name: | Melanocyte-stimulating hormone receptor | ||
Synonyms: | MC1-R | MSHR_MOUSE | Mc1r | Melanocortin receptor 1 | Melanocyte-stimulating hormone receptor | Msh-r | ||
Type: | PROTEIN | ||
Mol. Mass.: | 35238.60 | ||
Organism: | Mus musculus | ||
Description: | ChEMBL_1498846 | ||
Residue: | 315 | ||
Sequence: |
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BDBM50217670 | |||
n/a | |||
Name | BDBM50217670 | ||
Synonyms: | CHEMBL235176 | N-(3,4-dimethoxybenzyl)-4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)butanamide | ||
Type | Small organic molecule | ||
Emp. Form. | C41H53N3O4 | ||
Mol. Mass. | 651.8772 | ||
SMILES | COc1ccc(CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC |(-10.93,-16.01,;-10.93,-17.55,;-9.6,-18.32,;-9.59,-19.87,;-8.26,-20.64,;-6.94,-19.87,;-5.6,-20.64,;-4.27,-19.87,;-4.27,-18.31,;-2.92,-17.54,;-2.92,-15.99,;-4.26,-15.2,;-4.25,-13.66,;-2.92,-12.9,;-1.59,-13.69,;-.25,-12.93,;-.24,-11.39,;1.1,-10.63,;-1.57,-10.61,;-2.92,-11.37,;-5.61,-15.98,;-5.62,-17.54,;-2.93,-20.64,;-2.93,-22.2,;-1.58,-19.87,;-.25,-20.63,;1.08,-19.86,;2.42,-20.63,;3,-19.2,;2.18,-17.9,;2.91,-16.54,;4.45,-16.49,;5.17,-15.13,;4.35,-13.82,;5.08,-12.46,;2.81,-13.88,;2.09,-15.24,;4.53,-19.31,;4.91,-20.81,;6.25,-21.53,;6.31,-23.06,;5,-23.87,;3.64,-23.14,;3.6,-21.61,;-6.93,-18.32,;-8.26,-17.55,;-8.26,-16.01,;-9.59,-15.24,)| | ||
Structure |