Reaction Details | |||
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Target | Metabotropic glutamate receptor 5 | ||
Ligand | BDBM174271 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1627459 (CHEMBL3869980) | ||
Ki | 710±n/a nM | ||
Citation | Degnan, AP; Maxwell, D; Balakrishnan, A; Brown, JM; Easton, A; Gulianello, M; Hanumegowda, U; Hill-Drzewi, M; Miller, R; Santone, KS; Senapati, A; Shields, EE; Sivarao, DV; Westphal, R; Whiterock, VJ; Zhuo, X; Bronson, JJ; Macor, JE Difluorocyclobutylacetylenes as positive allosteric modulators of mGluR5 with reduced bioactivation potential. Bioorg Med Chem Lett26:5871-5876 (2016) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Metabotropic glutamate receptor 5 | |||
Name: | Metabotropic glutamate receptor 5 | ||
Synonyms: | GPRC1E | GRM5 | GRM5_HUMAN | MGLUR5 | metabotropic glutamate 5 | metabotropic glutamate 5a | ||
Type: | Enzyme | ||
Mol. Mass.: | 132484.72 | ||
Organism: | Homo sapiens (Human) | ||
Description: | n/a | ||
Residue: | 1212 | ||
Sequence: |
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BDBM174271 | |||
n/a | |||
Name | BDBM174271 | ||
Synonyms: | US9688669, Example 103 | ||
Type | Small organic molecule | ||
Emp. Form. | C20H17FN2O3 | ||
Mol. Mass. | 352.359 | ||
SMILES | O[C@H]1C[C@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,3.5,1.0,wD:18.21,(-7.49,4.51,;-6.15,3.74,;-4.66,4.14,;-4.27,2.65,;-5.75,2.26,;-2.93,1.88,;-1.6,1.11,;-.26,.34,;-.26,-1.2,;1.07,-1.97,;2.4,-1.2,;2.4,.34,;1.07,1.11,;3.74,1.11,;3.74,2.65,;5.2,3.13,;5.97,4.46,;6.11,1.88,;5.2,.64,;5.6,-.85,;7.09,-1.25,;7.49,-2.73,;6.4,-3.82,;4.91,-3.42,;3.82,-4.51,;4.51,-1.94,)| | ||
Structure |