Reaction Details | |||
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Target | Fatty acid-binding protein, heart | ||
Ligand | BDBM50468477 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1799514 (CHEMBL4271806) | ||
Ki | 400±n/a nM | ||
Citation | Yan, S; Elmes, MW; Tong, S; Hu, K; Awwa, M; Teng, GYH; Jing, Y; Freitag, M; Gan, Q; Clement, T; Wei, L; Sweeney, JM; Joseph, OM; Che, J; Carbonetti, GS; Wang, L; Bogdan, DM; Falcone, J; Smietalo, N; Zhou, Y; Ralph, B; Hsu, HC; Li, H; Rizzo, RC; Deutsch, DG; Kaczocha, M; Ojima, I SAR studies on truxillic acid mono esters as a new class of antinociceptive agents targeting fatty acid binding proteins. Eur J Med Chem154:233-252 (2018) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Fatty acid-binding protein, heart | |||
Name: | Fatty acid-binding protein, heart | ||
Synonyms: | FABP11 | FABP3 | FABPH_HUMAN | Fatty acid binding protein muscle | MDGI | ||
Type: | PROTEIN | ||
Mol. Mass.: | 14858.36 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_1463784 | ||
Residue: | 133 | ||
Sequence: |
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BDBM50468477 | |||
n/a | |||
Name | BDBM50468477 | ||
Synonyms: | CHEMBL4284051 | ||
Type | Small organic molecule | ||
Emp. Form. | C32H34O6 | ||
Mol. Mass. | 514.6088 | ||
SMILES | COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1OC)C(O)=O |r,wU:8.8,11.13,15.16,wD:9.39,10.30,20.23,(56.66,-23.87,;58.15,-23.46,;58.54,-21.98,;57.45,-20.89,;57.85,-19.4,;59.34,-19,;60.42,-20.09,;60.02,-21.57,;61.11,-22.66,;62.65,-22.66,;62.65,-24.2,;61.11,-24.2,;60.02,-25.29,;58.53,-24.89,;60.42,-26.77,;59.33,-27.86,;57.84,-27.46,;56.76,-28.54,;57.15,-30.03,;58.65,-30.42,;59.73,-29.34,;61.22,-29.73,;61.62,-31.22,;63.1,-31.61,;64.19,-30.52,;63.78,-29.03,;62.29,-28.64,;63.74,-25.29,;63.33,-26.77,;64.42,-27.86,;65.91,-27.46,;66.31,-25.97,;65.22,-24.89,;65.61,-23.4,;67.1,-22.99,;63.74,-21.57,;65.23,-21.97,;63.34,-20.08,)| | ||
Structure |