Reaction Details | |||
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Target | Metabotropic glutamate receptor 5 | ||
Ligand | BDBM168300 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1627459 (CHEMBL3869980) | ||
Ki | 38±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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BDBM168300 | |||
n/a | |||
Name | BDBM168300 | ||
Synonyms: | US9688669, Example 99 | ||
Type | n/a | ||
Emp. Form. | C20H16F2N2O2 | ||
Mol. Mass. | 354.35 | ||
SMILES | F[C@H]1C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,1.0,wD:18.21,3.5,(-7.08,-3.45,;-5.75,-4.22,;-4.26,-3.82,;-3.86,-5.31,;-5.35,-5.71,;-2.53,-6.08,;-1.2,-6.85,;.14,-7.62,;.14,-9.16,;1.47,-9.93,;2.8,-9.16,;2.8,-7.62,;1.47,-6.85,;4.14,-6.85,;4.14,-5.31,;5.6,-4.83,;6.37,-3.5,;6.51,-6.08,;5.6,-7.33,;6,-8.81,;7.49,-9.21,;7.89,-10.7,;6.8,-11.79,;5.31,-11.39,;4.22,-12.48,;4.91,-9.9,)| | ||
Structure |