Reaction Details |
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Target | Tyrosine-protein kinase Tec |
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Ligand | BDBM50557485 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2192613 (CHEMBL5104973) |
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IC50 | 0.800000±n/a nM |
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Citation | Owens, TD; Brameld, KA; Verner, EJ; Ton, T; Li, X; Zhu, J; Masjedizadeh, MR; Bradshaw, JM; Hill, RJ; Tam, D; Bisconte, A; Kim, EO; Francesco, M; Xing, Y; Shu, J; Karr, D; LaStant, J; Finkle, D; Loewenstein, N; Haberstock-Debic, H; Taylor, MJ; Nunn, P; Langrish, CL; Goldstein, DM Discovery of Reversible Covalent Bruton's Tyrosine Kinase Inhibitors PRN473 and PRN1008 (Rilzabrutinib). J Med Chem65:5300-5316 (2022) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Tyrosine-protein kinase Tec |
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Name: | Tyrosine-protein kinase Tec |
Synonyms: | PSCTK4 | TEC | TEC_HUMAN | Tyrosine-protein kinase TEC (TEC) |
Type: | Protein |
Mol. Mass.: | 73597.00 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 631 |
Sequence: | MNFNTILEEILIKRSQQKKKTSPLNYKERLFVLTKSMLTYYEGRAEKKYRKGFIDVSKIK
CVEIVKNDDGVIPCQNKYPFQVVHDANTLYIFAPSPQSRDLWVKKLKEEIKNNNNIMIKY
HPKFWTDGSYQCCRQTEKLAPGCEKYNLFESSIRKALPPAPETKKRRPPPPIPLEEEDNS
EEIVVAMYDFQAAEGHDLRLERGQEYLILEKNDVHWWRARDKYGNEGYIPSNYVTGKKSN
NLDQYEWYCRNMNRSKAEQLLRSEDKEGGFMVRDSSQPGLYTVSLYTKFGGEGSSGFRHY
HIKETTTSPKKYYLAEKHAFGSIPEIIEYHKHNAAGLVTRLRYPVSVKGKNAPTTAGFSY
EKWEINPSELTFMRELGSGLFGVVRLGKWRAQYKVAIKAIREGAMCEEDFIEEAKVMMKL
THPKLVQLYGVCTQQKPIYIVTEFMERGCLLNFLRQRQGHFSRDVLLSMCQDVCEGMEYL
ERNSFIHRDLAARNCLVSEAGVVKVSDFGMARYVLDDQYTSSSGAKFPVKWCPPEVFNYS
RFSSKSDVWSFGVLMWEVFTEGRMPFEKYTNYEVVTMVTRGHRLYQPKLASNYVYEVMLR
CWQEKPEGRPSFEDLLRTIDELVECEETFGR
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BDBM50557485 |
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n/a |
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Name | BDBM50557485 |
Synonyms: | Prn-1008 | Prn1008 | Rilzabrutinib |
Type | Small organic molecule |
Emp. Form. | C36H40FN9O3 |
Mol. Mass. | 665.7597 |
SMILES | CC(C)(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12)N1CCN(CC1)C1COC1 |
Structure |
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