Reaction Details | |||
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Report a problem with these data | |||
Target | Tryptophan 2,3-dioxygenase | ||
Ligand | BDBM347022 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | TDO2 Enzymatic Assay | ||
IC50 | 300±n/a nM | ||
Citation | Li, Q; Gao, D Fused-ring compounds, pharmaceutical composition and uses thereof US Patent US10202388 Publication Date 2/12/2019 | ||
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: |
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BDBM347022 | |||
n/a | |||
Name | BDBM347022 | ||
Synonyms: | US10202388, Compound 23A-2 | US10202388, Compound 26A-3 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H25FN2O2 | ||
Mol. Mass. | 368.4445 | ||
SMILES | O[C@H](CC1c2c(cccc2F)-c2cncn12)C12CC3CC(C1)[C@H](O)C(C3)C2 |r,wU:22.26,wD:1.0,TLB:21:16:25:22.20.19,23:22:25:16.17.26,23:22:16.21.26:25.18.19,1:16:22:25.18.19,THB:17:16:22:25.18.19,17:18:22:16.21.26,21:20:25:16.17.26,(.35,-1.49,;.35,.05,;-.98,.82,;-2.31,.05,;-3.72,.68,;-4.75,-.47,;-6.26,-.15,;-6.73,1.32,;-5.7,2.46,;-4.2,2.14,;-3.17,3.29,;-3.98,-1.8,;-4.14,-3.33,;-2.74,-3.96,;-1.71,-2.81,;-2.48,-1.48,;1.69,.82,;1.69,2.36,;3.01,3.13,;3.77,1.97,;3.79,-.43,;2.58,-1.1,;5.18,-1.08,;6.65,-.61,;4.35,.82,;4.35,2.36,;3.01,.05,)| | ||
Structure |