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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tryptophan 2,3-dioxygenase | ||
| Ligand | BDBM370555 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2260711 (CHEMBL5215722) | ||
| IC50 | 150±n/a nM | ||
| Citation |  Ning, XL; Li, YZ; Huo, C; Deng, J; Gao, C; Zhu, KR; Wang, M; Wu, YX; Yu, JL; Ren, YL; Luo, ZY; Li, G; Chen, Y; Wang, SY; Peng, C; Yang, LL; Wang, ZY; Wu, Y; Qian, S; Li, GB X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease. J Med Chem64:8303-8332 (2021) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Tryptophan 2,3-dioxygenase | |||
| Name: | Tryptophan 2,3-dioxygenase | ||
| Synonyms: | T23O_HUMAN | TDO | TDO2 | TO | TRPO | Tryptamin 2,3-dioxygenase | Tryptophan oxygenase | Tryptophan pyrrolase | Tryptophanase | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 47874.48 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_825691 | ||
| Residue: | 406 | ||
| Sequence: |
| ||
| BDBM370555 | |||
| n/a | |||
| Name | BDBM370555 | ||
| Synonyms: | (1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]isoindol-5-yl)-1-hydroxyethyl)cyclohexanol | US10233190, Example 1488 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C18H21FN2O2 | ||
| Mol. Mass. | 316.3699 | ||
| SMILES | O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1 |r,wU:19.22,wD:3.2,1.0,16.19,(-.99,-3.03,;-.22,-1.7,;-.99,-.37,;-2.53,-.37,;-3.37,.92,;-4.85,.53,;-5.94,1.61,;-5.54,3.1,;-4.06,3.5,;-2.97,2.41,;-1.48,2.81,;-4.93,-1.01,;-5.9,-2.21,;-5.06,-3.5,;-3.58,-3.1,;-3.5,-1.56,;1.32,-1.7,;2.09,-3.03,;3.63,-3.03,;4.4,-1.7,;5.94,-1.7,;3.63,-.37,;2.09,-.37,)| | ||
| Structure | 
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