Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] | ||
| Ligand | BDBM493110 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Enzymatic Inhibition Assay | ||
| IC50 | 21.0±n/a nM | ||
| Citation |  Bacani, GM; Chai, W; Koudriakova, T; Krawczuk, PJ; Kreutter, KD; Leonard, K; Rizzolio, MC; Seierstad, M; Smith, RC; Tichenor, MS; Venable, JD; Wang, A Imidazopyrrolopyridine as inhibitors of the JAK family of kinases US Patent US10981911 Publication Date 4/20/2021 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] | |||
| Name: | Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] | ||
| Synonyms: | TYK2 | TYK2 [aa 580-1182,C936A,C1142A] | TYK2_HUMAN | ||
| Type: | Enzyme Catalytic Domain | ||
| Mol. Mass.: | 68154.85 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P29597[aa 580-1182,C936A,C1142A] | ||
| Residue: | 603 | ||
| Sequence: |
| ||
| BDBM493110 | |||
| n/a | |||
| Name | BDBM493110 | ||
| Synonyms: | 2-((1r,4r)-4-(2-(3-Hydroxy-3-phenylpyrrolidine-1-carbonyl)imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclohexyl)acetonitrile | US10981911, Example 50 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H28N6O2 | ||
| Mol. Mass. | 468.5502 | ||
| SMILES | OC1(CCN(C1)C(=O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)c1ccccc1 |r,wU:23.27,wD:20.23,(-4.35,-.81,;-4.35,.73,;-4.35,2.27,;-2.89,2.74,;-1.98,1.5,;-2.89,.25,;-.44,1.5,;.33,2.83,;.33,.17,;-.3,-1.24,;.84,-2.27,;.84,-3.81,;2.18,-4.58,;3.51,-3.81,;4.98,-4.29,;5.88,-3.04,;4.98,-1.8,;3.51,-2.27,;2.18,-1.5,;1.86,0,;2.89,1.15,;4.39,.83,;5.43,1.97,;4.95,3.44,;5.98,4.58,;7.49,4.26,;8.97,3.86,;3.44,3.76,;2.41,2.61,;-5.89,.73,;-6.66,2.06,;-8.2,2.06,;-8.97,.73,;-8.2,-.6,;-6.66,-.6,)| | ||
| Structure | 
| ||