Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetMelanocyte-stimulating hormone receptor
LigandBDBM50217653
Substrate/Competitorn/a
Meas. Tech.ChEMBL_448689 (CHEMBL896689)
Ki 1800±n/a nM
Citation Mutulis, FKreicberga, JYahorava, SMutule, IBorisova-Jan, LYahorau, AMuceniece, RAzena, SVeiksina, SPetrovska, RWikberg, 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:
MSTQEPQKSLLGSLNSNATSHLGLATNQSEPWCLYVSIPDGLFLSLGLVSLVENVLVVIA
ITKNRNLHSPMYYFICCLALSDLMVSVSIVLETTIILLLEAGILVARVALVQQLDNLIDV
LICGSMVSSLCFLGIIAIDRYISIFYALRYHSIVTLPRARRAVVGIWMVSIVSSTLFITY
YKHTAVLLCLVTFFLAMLALMAILYAHMFTRACQHAQGIAQLHKRRRSIRQGFCLKGAAT
LTILLGIFFLCWGPFFLHLLLIVLCPQHPTCSCIFKNFNLFLLLIVLSSTVDPLIYAFRS
QELRMTLKEVLLCSW
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50217653
n/a
NameBDBM50217653
Synonyms:CHEMBL235359 | N-(2,6-difluorobenzyl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)butanamide
TypeSmall organic molecule
Emp. Form.C32H41F2N3O
Mol. Mass.521.6842
SMILESNC1CCC(CC2CCC(CC2)N(Cc2c(F)cccc2F)C(=O)CCCc2c[nH]c3ccccc23)CC1 |(39.45,-34.23,;38.12,-35,;38.13,-36.55,;36.81,-37.33,;35.47,-36.56,;34.14,-37.34,;34.16,-38.88,;35.51,-39.65,;35.54,-41.2,;34.19,-41.99,;32.83,-41.24,;32.82,-39.68,;34.22,-43.54,;32.86,-44.51,;32.89,-47.27,;31.57,-48.06,;30.22,-47.31,;31.59,-49.6,;32.95,-50.35,;34.26,-49.55,;34.23,-48.02,;35.55,-47.23,;35.57,-44.3,;35.6,-45.86,;36.9,-43.51,;38.24,-44.24,;39.58,-43.47,;40.9,-44.23,;42.31,-43.56,;43.37,-44.69,;42.62,-46.03,;43.11,-47.48,;42.11,-48.64,;40.59,-48.34,;40.1,-46.89,;41.11,-45.73,;35.45,-35.03,;36.78,-34.25,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: