Reaction Details Report a problem with these data
Target
Melanocortin receptor 3
Ligand
BDBM50115373
Substrate
n/a
Meas. Tech.
ChEMBL_106848 (CHEMBL714835)
Kd
56.23±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:
Melanocortin receptor 3
Synonyms:
MC3-R | MC3R_MOUSE | Mc3r
Type:
PROTEIN
Mol. Mass.:
35808.24
Organism:
Mus musculus
Description:
ChEMBL_1498848
Residue:
323
Sequence:
MNSSCCLSSVSPMLPNLSEHPAAPPASNRSGSGFCEQVFIKPEVFLALGIVSLMENILVILAVVRNGNLHSPMYFFLCSLAAADMLVSLSNSLETIMIAVINSDSLTLEDQFIQHMDNIFDSMICISLVASICNLLAIAIDRYVTIFYALRYHSIMTVRKALTLIGVIWVCCGICGVMFIIYSESKMVIVCLITMFFAMVLLMGTLYIHMFLFARLHVQRIAVLPPAGVVAPQQHSCMKGAVTITILLGVFIFCWAPFFLHLVLIITCPTNPYCICYTAHFNTYLVLIMCNSVIDPLIYAFRSLELRNTFKEILCGCNSMNLG
  
Inhibitor
Name:
BDBM50115373
Synonyms:
2-[2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-(4-iodo-phenyl)-propionylamino]-5-guanidino-pentanoic acid [1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide | Ac-His-DPhe(pI)-Arg-Trp-NH2 | CHEMBL322610
Type:
Small organic molecule
Emp. Form.:
C34H42IN11O5
Mol. Mass.:
811.6725
SMILES:
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(I)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,(23.38,-8.66,;23.38,-10.2,;22.06,-10.96,;24.72,-10.97,;26.05,-10.21,;26.05,-8.66,;27.39,-7.89,;28.79,-8.52,;29.83,-7.38,;29.06,-6.04,;27.55,-6.36,;27.39,-10.97,;27.39,-12.51,;28.72,-10.21,;30.06,-10.97,;30.06,-12.51,;31.39,-13.29,;32.73,-12.51,;34.05,-13.29,;34.05,-14.83,;35.38,-15.6,;32.72,-15.59,;31.39,-14.82,;31.39,-10.21,;31.39,-8.66,;32.72,-10.97,;34.05,-10.2,;34.05,-8.67,;35.38,-7.89,;35.38,-6.36,;36.72,-5.59,;36.72,-4.06,;35.39,-3.28,;38.06,-3.28,;35.38,-10.97,;35.38,-12.52,;36.72,-10.21,;38.06,-10.98,;38.06,-12.52,;39.39,-13.3,;40.8,-12.67,;41.82,-13.82,;41.06,-15.15,;41.52,-16.62,;40.5,-17.76,;38.99,-17.44,;38.51,-15.97,;39.55,-14.83,;39.39,-10.22,;40.73,-10.98,;39.39,-8.68,)|
Structure:
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