Reaction Details | |||
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Target | Fatty acid-binding protein, brain | ||
Ligand | BDBM50468473 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1799516 (CHEMBL4271808) | ||
Ki | 1060±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, brain | |||
Name: | Fatty acid-binding protein, brain | ||
Synonyms: | B-FABP | BLBP | FABP7 | FABP7_HUMAN | FABPB | MRG | ||
Type: | PROTEIN | ||
Mol. Mass.: | 14886.73 | ||
Organism: | Homo sapiens | ||
Description: | ChEMBL_116822 | ||
Residue: | 132 | ||
Sequence: |
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BDBM50468473 | |||
n/a | |||
Name | BDBM50468473 | ||
Synonyms: | CHEMBL4276753 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H22O6 | ||
Mol. Mass. | 454.4707 | ||
SMILES | OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccc(O)cc1)C(=O)Oc1cccc2ccccc12)c1ccc(O)cc1 |r,wU:4.30,5.15,wD:3.2,6.7,(52.68,-21.81,;51.19,-21.41,;50.79,-19.93,;50.1,-22.5,;48.56,-22.5,;48.56,-24.04,;50.1,-24.04,;51.19,-25.13,;50.79,-26.62,;51.87,-27.71,;53.36,-27.31,;54.45,-28.4,;53.76,-25.81,;52.67,-24.73,;47.47,-25.13,;45.99,-24.73,;47.87,-26.62,;46.78,-27.71,;45.3,-27.3,;44.21,-28.39,;44.61,-29.88,;46.1,-30.27,;46.5,-31.74,;47.98,-32.14,;49.06,-31.04,;48.66,-29.57,;47.19,-29.19,;47.47,-21.41,;47.87,-19.93,;46.79,-18.85,;45.3,-19.24,;44.21,-18.16,;44.9,-20.74,;45.99,-21.82,)| | ||
Structure |