Ki Summary

Reaction Details

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Target

Melanocyte-stimulating hormone receptor

Ligand

BDBM50217696

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_448689 (CHEMBL896689)

2300±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:

Type:

PROTEIN

Mol. Mass.:

35238.60

Organism:

Mus musculus

Description:

ChEMBL_1498846

Residue:

315

Sequence:

MSTQEPQKSLLGSLNSNATSHLGLATNQSEPWCLYVSIPDGLFLSLGLVSLVENVLVVIA
ITKNRNLHSPMYYFICCLALSDLMVSVSIVLETTIILLLEAGILVARVALVQQLDNLIDV
LICGSMVSSLCFLGIIAIDRYISIFYALRYHSIVTLPRARRAVVGIWMVSIVSSTLFITY
YKHTAVLLCLVTFFLAMLALMAILYAHMFTRACQHAQGIAQLHKRRRSIRQGFCLKGAAT
LTILLGIFFLCWGPFFLHLLLIVLCPQHPTCSCIFKNFNLFLLLIVLSSTVDPLIYAFRS
QELRMTLKEVLLCSW

BDBM50217696

n/a

Name

BDBM50217696

Synonyms:

CHEMBL394074 | N-(2-bromo-4,5-dimethoxybenzyl)-N-((1S,4s)-4-(((1s,4S)-4-aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)butanamide

Type

Small organic molecule

Emp. Form.

C34H46BrN3O3

Mol. Mass.

624.651

SMILES

COc1cc(Br)c(CN([C@@H]2CC[C@H](C[C@@H]3CC[C@H](N)CC3)CC2)C(=O)CCCc2c[nH]c3ccccc23)cc1OC |wU:14.13,17.17,wD:9.8,12.12,(-.08,-7.23,;-.01,-8.89,;1.47,-9.65,;1.54,-11.32,;3.01,-12.08,;3.08,-13.72,;4.39,-11.18,;5.9,-11.87,;7.26,-10.92,;7.23,-9.37,;5.87,-8.62,;5.86,-7.06,;7.2,-6.27,;7.18,-4.73,;8.5,-3.95,;9.83,-4.72,;11.16,-3.94,;11.14,-2.4,;12.46,-1.63,;9.8,-1.65,;8.49,-2.43,;8.55,-7.03,;8.56,-8.58,;8.6,-11.67,;8.63,-13.22,;9.93,-10.88,;11.27,-11.61,;12.59,-10.84,;13.91,-11.6,;15.32,-10.94,;16.38,-12.05,;15.62,-13.39,;16.11,-14.84,;15.11,-15.99,;13.61,-15.69,;13.12,-14.24,;14.12,-13.09,;4.33,-9.53,;2.86,-8.76,;2.79,-7.1,;1.33,-6.33,)|

Structure