Reaction Details Report a problem with these data
Target
Melanocyte-stimulating hormone receptor
Ligand
BDBM50115366
Substrate
n/a
Meas. Tech.
ChEMBL_106826 (CHEMBL717667)
EC50
3200±n/a nM
Citation
 Holder, JR; Bauzo, RM; Xiang, Z; Haskell-Luevano, C Structure-activity relationships of the melanocortin tetrapeptide Ac-His-DPhe-Arg-Trp-NH(2) at the mouse melanocortin receptors: part 2 modifications at the Phe position. J Med Chem 45:3073-81 (2002) [PubMed]  Article 
Target
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:
MSTQEPQKSLLGSLNSNATSHLGLATNQSEPWCLYVSIPDGLFLSLGLVSLVENVLVVIAITKNRNLHSPMYYFICCLALSDLMVSVSIVLETTIILLLEAGILVARVALVQQLDNLIDVLICGSMVSSLCFLGIIAIDRYISIFYALRYHSIVTLPRARRAVVGIWMVSIVSSTLFITYYKHTAVLLCLVTFFLAMLALMAILYAHMFTRACQHAQGIAQLHKRRRSIRQGFCLKGAATLTILLGIFFLCWGPFFLHLLLIVLCPQHPTCSCIFKNFNLFLLLIVLSSTVDPLIYAFRSQELRMTLKEVLLCSW
  
Inhibitor
Name:
BDBM50115366
Synonyms:
2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(4-hydroxy-phenyl)-propionylamino]-5-guanidino-pentanoic acid [1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide | Ac-His-DTyr-Arg-Trp-NH2 | CHEMBL105113
Type:
Small organic molecule
Emp. Form.:
C34H43N11O6
Mol. Mass.:
701.7753
SMILES:
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.3,14.14,26.27,wD:37.38,(19.22,-37.32,;19.23,-38.86,;17.89,-39.63,;20.56,-39.63,;21.89,-38.86,;21.89,-37.32,;23.23,-36.54,;24.64,-37.17,;25.67,-36.02,;24.9,-34.69,;23.39,-35.01,;23.23,-39.63,;23.23,-41.17,;24.56,-38.86,;25.89,-39.63,;25.89,-41.17,;27.23,-41.94,;28.56,-41.16,;29.9,-41.93,;29.9,-43.48,;31.22,-44.24,;28.56,-44.25,;27.23,-43.47,;27.23,-38.86,;27.23,-37.32,;28.56,-39.63,;29.9,-38.86,;29.9,-37.32,;31.23,-36.54,;31.23,-35,;32.56,-34.23,;32.56,-32.69,;31.23,-31.92,;33.9,-31.92,;31.23,-39.63,;31.23,-41.17,;32.56,-38.86,;33.9,-39.63,;33.9,-41.17,;35.19,-42.01,;36.62,-41.45,;37.59,-42.66,;36.76,-43.94,;37.16,-45.43,;36.07,-46.52,;34.59,-46.12,;34.19,-44.63,;35.27,-43.54,;35.23,-38.86,;36.57,-39.63,;35.23,-37.32,)|
Structure:
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