Reaction Details | |||
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Target | Melanocyte-stimulating hormone receptor | ||
Ligand | BDBM50310318 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_608232 (CHEMBL1072421) | ||
EC50 | 220±n/a nM | ||
Citation | Ovadia, O; Linde, Y; Haskell-Luevano, C; Dirain, ML; Sheynis, T; Jelinek, R; Gilon, C; Hoffman, A The effect of backbone cyclization on PK/PD properties of bioactive peptide-peptoid hybrids: the melanocortin agonist paradigm. Bioorg Med Chem18:580-9 (2010) [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: |
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BDBM50310318 | |||
n/a | |||
Name | BDBM50310318 | ||
Synonyms: | 2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dibenzyl-9-(3-guanidinopropyl)-5,8,11,14,17,21-hexaoxo-1,4,7,10,13,16-hexaazacyclohenicosan-4-yl)acetamide | CHEMBL589468 | ||
Type | Small organic molecule | ||
Emp. Form. | C44H55N11O7 | ||
Mol. Mass. | 849.977 | ||
SMILES | NC(=O)CN1CCNC(=O)CCCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:27.28,38.40,wD:49.51,(8.11,-.38,;6.78,-1.16,;6.78,-2.7,;5.44,-.39,;4.12,-1.16,;2.78,-.4,;2.77,1.14,;1.39,3.51,;.06,4.27,;.05,5.81,;-1.27,3.49,;-2.61,4.25,;-3.94,3.47,;-3.93,1.93,;-2.59,1.17,;-5.26,1.15,;-6.6,1.92,;-6.61,3.46,;-5.27,4.23,;-5.28,5.77,;-6.62,6.53,;-7.96,5.74,;-7.94,4.21,;-5.25,-.39,;-6.58,-1.16,;-7.91,-.4,;-6.56,-2.7,;-5.22,-3.48,;-5.24,-5.02,;-6.58,-5.77,;-7.9,-4.98,;-9.24,-5.73,;-9.26,-7.27,;-7.93,-8.06,;-6.59,-7.3,;-3.89,-2.71,;-3.89,-1.17,;-2.55,-3.48,;-1.21,-2.71,;-1.21,-4.25,;-2.55,-5.02,;-2.55,-6.56,;-3.88,-7.33,;-3.88,-8.87,;-5.22,-9.64,;-2.55,-9.64,;.11,-3.48,;.11,-5.02,;1.45,-2.71,;2.78,-3.48,;2.78,-5.02,;4.12,-5.79,;5.35,-4.86,;6.62,-5.74,;6.17,-7.21,;6.96,-8.52,;6.23,-9.86,;4.68,-9.9,;3.89,-8.58,;4.63,-7.24,;4.12,-2.7,;5.46,-3.47,)| | ||
Structure |