Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetMelanocyte-stimulating hormone receptor
LigandBDBM50191551
Substrate/Competitorn/a
Meas. Tech.ChEMBL_376971 (CHEMBL853374)
Ki 15±n/a nM
Citation Tian, XField, TBSwitzer, AGMazur, AWEbetino, FHWos, JABerberich, SMJayasinghe, LRObringer, CMDowty, MEPinney, BBFarmer, JACrossdoersen, DSheldon, RJ Design, synthesis, and evaluation of proline and pyrrolidine based melanocortin receptor agonists. A conformationally restricted dipeptide mimic approach. J Med Chem49:4745-61 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Melanocyte-stimulating hormone receptor
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:
MAVQGSQRRLLGSLNSTPTAIPQLGLAANQTGARCLEVSISDGLFLSLGLVSLVENALVV
ATIAKNRNLHSPMYCFICCLALSDLLVSGSNVLETAVILLLEAGALVARAAVLQQLDNVI
DVITCSSMLSSLCFLGAIAVDRYISIFYALRYHSIVTLPRARRAVAAIWVASVVFSTLFI
AYYDHVAVLLCLVVFFLAMLVLMAVLYVHMLARACQHAQGIARLHKRQRPVHQGFGLKGA
VTLTILLGIFFLCWGPFFLHLTLIVLCPEHPTCGCIFKNFNLFLALIICNAIIDPLIYAF
HSQELRRTLKEVLTCSW
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50191551
n/a
NameBDBM50191551
Synonyms:(2R,4R)-1-((R)-2-((S)-2-amino-3-(1H-imidazol-4-yl)propanamido)-3-phenylpropanoyl)-N-(2-guanidinoethyl)-4-(naphthalen-2-ylmethoxy)pyrrolidine-2-carboxamide | CHEMBL209587
TypeSmall organic molecule
Emp. Form.C34H41N9O4
Mol. Mass.639.7472
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@@H]1C(=O)NCCN=C(N)N)OCc1ccc2ccccc2c1 |wU:25.28,11.11,23.37,wD:1.0,(15.6,-11.59,;14.27,-12.36,;12.94,-11.59,;12.94,-10.05,;11.68,-9.15,;12.16,-7.69,;13.7,-7.69,;14.17,-9.15,;14.27,-13.9,;15.61,-14.67,;12.94,-14.67,;12.94,-16.21,;11.61,-16.99,;10.27,-16.22,;8.93,-16.99,;7.6,-16.22,;7.6,-14.67,;8.93,-13.9,;10.27,-14.67,;14.28,-16.98,;15.61,-16.21,;14.28,-18.52,;13.03,-19.43,;13.51,-20.89,;15.05,-20.89,;15.52,-19.43,;16.87,-18.68,;16.89,-17.14,;18.19,-19.47,;19.54,-18.72,;20.86,-19.51,;22.2,-18.76,;23.52,-19.56,;24.87,-18.81,;23.5,-21.1,;12.6,-22.14,;13.23,-23.55,;12.47,-24.88,;13.24,-26.21,;12.48,-27.54,;10.93,-27.55,;10.17,-28.87,;8.64,-28.88,;7.87,-27.55,;8.63,-26.22,;10.17,-26.22,;10.92,-24.88,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: