Reaction Details | |||
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Target | JAK3/JAK1 | ||
Ligand | BDBM50463838 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1779484 (CHEMBL4236476) | ||
IC50 | 18±n/a nM | ||
Citation | Hamaguchi, H; Amano, Y; Moritomo, A; Shirakami, S; Nakajima, Y; Nakai, K; Nomura, N; Ito, M; Higashi, Y; Inoue, T Discovery and structural characterization of peficitinib (ASP015K) as a novel and potent JAK inhibitor. Bioorg Med Chem26:4971-4983 (2018) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
JAK3/JAK1 | |||
Name: | JAK3/JAK1 | ||
Synonyms: | Tyrosine-protein kinase JAK1/JAK3 | ||
Type: | n/a | ||
Mol. Mass.: | n/a | ||
Description: | ASSAY_ID of ChEMBL is 2193386 | ||
Components: | This complex has 2 components. | ||
Component 1 | |||
Name: | Tyrosine-protein kinase JAK3 | ||
Synonyms: | JAK-3 | JAK3 | JAK3_HUMAN | Janus kinase 3 | Janus kinase 3 (JAK3) | Janus kinase 3 JAK3 | L-JAK | Leukocyte janus kinase | ||
Type: | Protein | ||
Mol. Mass.: | 125111.08 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P52333 | ||
Residue: | 1124 | ||
Sequence: |
| ||
Component 2 | |||
Name: | Tyrosine-protein kinase JAK1 | ||
Synonyms: | JAK-1 | JAK1 | JAK1A | JAK1B | JAK1_HUMAN | Janus kinase 1 | Janus kinase 1 (JAK1) | Janus kinase 1 JAK1 | ||
Type: | Protein | ||
Mol. Mass.: | 133293.73 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P23458 | ||
Residue: | 1154 | ||
Sequence: |
| ||
BDBM50463838 | |||
n/a | |||
Name | BDBM50463838 | ||
Synonyms: | CHEMBL4238926 | ||
Type | Small organic molecule | ||
Emp. Form. | C18H22N4O2 | ||
Mol. Mass. | 326.3929 | ||
SMILES | NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2 |TLB:13:14:22:17.18.19,12:13:22.16.17:19,THB:15:16:19:23.14.13,15:14:22.16.17:19,13:18:22:23.15.14,(62.43,-6.04,;61.1,-6.81,;61.1,-8.35,;59.76,-6.04,;59.75,-4.49,;58.42,-3.73,;57.08,-4.5,;55.61,-4.03,;54.71,-5.28,;55.62,-6.53,;57.09,-6.04,;58.42,-6.82,;58.42,-8.36,;57.14,-9.21,;57.12,-10.75,;56.11,-12.03,;54.69,-11.48,;54.69,-9.88,;55.72,-8.64,;54.38,-9.11,;54.39,-10.61,;53.04,-9.84,;53.19,-11.89,;55.71,-11.09,)| | ||
Structure |