Reaction Details | |||
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Target | Melanocyte-stimulating hormone receptor | ||
Ligand | BDBM50189013 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_395992 (CHEMBL910337) | ||
Ki | 0.40±n/a nM | ||
Citation | Tian, X; Mishra, RK; Switzer, AG; Hu, XE; Kim, N; Mazur, AW; Ebetino, FH; Wos, JA; Crossdoersen, D; Pinney, BB; Farmer, JA; Sheldon, RJ Design and synthesis of potent and selective 1,3,4-trisubstituted-2-oxopiperazine based melanocortin-4 receptor agonists. Bioorg Med Chem Lett16:4668-73 (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: |
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BDBM50189013 | |||
n/a | |||
Name | BDBM50189013 | ||
Synonyms: | (S)-2-[(S)-4-{(R)-2-[(S)-2-acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-phenyl-propionyl}-3-(3-guanidino-propyl)-2-oxo-piperazin-1-yl]-N-methyl-3-naphthalen-2-yl-propionamide | CHEMBL212614 | ||
Type | Small organic molecule | ||
Emp. Form. | C39H48N10O5 | ||
Mol. Mass. | 736.8624 | ||
SMILES | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O |wU:20.22,4.17,32.43,43.54,(1.84,-9.34,;3.18,-8.56,;4.51,-9.34,;4.51,-10.88,;5.85,-8.58,;7.18,-9.35,;7.18,-10.89,;5.84,-11.66,;5.83,-13.19,;7.17,-13.96,;7.17,-15.49,;8.51,-16.27,;9.84,-15.49,;9.83,-13.95,;8.51,-13.19,;8.51,-11.65,;5.85,-7.03,;4.52,-6.26,;4.52,-4.73,;5.86,-3.95,;7.19,-4.72,;8.53,-3.94,;9.85,-4.71,;11.19,-3.94,;12.52,-4.71,;13.86,-3.94,;15.2,-4.7,;13.86,-2.4,;7.19,-6.27,;8.52,-7.04,;5.85,-2.41,;7.19,-1.65,;4.52,-1.65,;3.18,-2.41,;1.84,-1.66,;.51,-2.41,;-.83,-1.66,;-.82,-.11,;.5,.67,;1.84,-.11,;4.52,-.11,;5.85,.66,;7.2,-.11,;5.85,2.21,;7.2,2.98,;8.54,2.21,;8.7,.67,;10.21,.35,;10.99,1.69,;9.95,2.84,;4.52,2.98,;4.51,4.52,;3.18,5.29,;5.85,5.29,)| | ||
Structure |