Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50141024
Substrate
n/a
Meas. Tech.
ChEMBL_69106 (CHEMBL678731)
IC50
1000±n/a nM
Citation
 Han, G; Haskell-Luevano, C; Kendall, L; Bonner, G; Hadley, ME; Cone, RD; Hruby, VJ De novo design, synthesis, and pharmacology of alpha-melanocyte stimulating hormone analogues derived from somatostatin by a hybrid approach. J Med Chem 47:1514-26 (2004) [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:
BDBM50141024
Synonyms:
1N-(1-carbamoyl-2-hydroxypropyl)-15-[3-amino(imino)methylaminopropyl]-6-(1-amino-2-phenylethylcarboxamido)-9-(4-hydroxybenzyl)-12,18-di(1H-3-indolylmethyl)-2,2-dimethyl-7,10,13,16,19-pentaoxo-3,4-dithia-8,11,14,17,20-pentaazacycloicosane-1-carboxami | CHEMBL2372348
Type:
Small organic molecule
Emp. Form.:
C58H72N14O10S2
Mol. Mass.:
1189.41
SMILES:
C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@H](N)Cc1ccccc1)C(N)=O |wU:7.6,36.38,50.54,25.27,wD:3.3,62.74,11.11,72.78,1.1,(15.11,-14.87,;16.5,-14.15,;17.78,-14.99,;16.57,-12.62,;15.27,-11.78,;13.9,-12.48,;13.83,-14.01,;12.62,-11.64,;13.25,-10.25,;13.4,-8.71,;14.95,-8.63,;13.08,-7.2,;14.52,-6.65,;14.91,-5.17,;14.43,-3.7,;15.67,-2.78,;16.92,-3.68,;18.41,-3.36,;19.46,-4.5,;18.99,-5.96,;17.48,-6.29,;16.45,-5.15,;12.32,-5.87,;11.17,-4.84,;12.01,-3.54,;9.76,-4.22,;10.17,-2.73,;11.64,-2.33,;12.04,-.85,;13.54,-.44,;13.94,1.04,;15.41,1.44,;12.85,2.13,;8.24,-4.06,;6.73,-4.37,;6.17,-2.94,;5.4,-5.14,;4.42,-3.94,;4.98,-2.51,;4.14,-1.22,;5.1,-.02,;6.55,-.57,;7.92,.13,;9.21,-.71,;9.13,-2.24,;7.76,-2.95,;6.47,-2.12,;4.36,-6.29,;3.73,-7.69,;2.26,-7.29,;3.58,-9.22,;2.05,-9.31,;1.19,-8.01,;1.89,-6.64,;1.05,-5.35,;-.48,-5.43,;-1.32,-4.15,;-1.18,-6.8,;-.34,-8.1,;3.89,-10.73,;4.66,-12.06,;3.47,-13.03,;5.8,-13.08,;7.22,-13.71,;8.75,-13.87,;10.26,-13.56,;11.59,-12.78,;11.83,-14.32,;13.03,-13.34,;4.96,-14.39,;5.68,-15.76,;7.21,-15.83,;4.84,-17.04,;5.54,-18.41,;3.29,-16.97,;2.59,-15.6,;1.05,-15.52,;.36,-14.13,;1.19,-12.85,;2.73,-12.94,;3.43,-14.31,;17.94,-11.92,;19.23,-12.76,;18.02,-10.38,)|
Structure:
Search PDB for entries with ligand similarity: