Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase TXK
Ligand
BDBM50458603
Substrate
n/a
Meas. Tech.
ChEMBL_1764257 (CHEMBL4199504)
IC50
0.320000±n/a nM
Citation
 Blass, BE Covalent Inhibitors of the TEC Family of Kinases and Their Methods of Use. ACS Med Chem Lett 9:587-589 (2018) [PubMed]  Article 
Target
Name:
Tyrosine-protein kinase TXK
Synonyms:
PTK4 | Protein-tyrosine kinase 4 | RLK | Resting lymphocyte kinase | TXK | TXK_HUMAN | Tyrosine-protein kinase TXK (TXK)
Type:
Protein
Mol. Mass.:
61268.80
Organism:
Homo sapiens (Human)
Description:
P42681
Residue:
527
Sequence:
MILSSYNTIQSVFCCCCCCSVQKRQMRTQISLSTDEELPEKYTQRRRPWLSQLSNKKQSNTGRVQPSKRKPLPPLPPSEVAEEKIQVKALYDFLPREPCNLALRRAEEYLILEKYNPHWWKARDRLGNEGLIPSNYVTENKITNLEIYEWYHRNITRNQAEHLLRQESKEGAFIVRDSRHLGSYTISVFMGARRSTEAAIKHYQIKKNDSGQWYVAERHAFQSIPELIWYHQHNAAGLMTRLRYPVGLMGSCLPATAGFSYEKWEIDPSELAFIKEIGSGQFGVVHLGEWRSHIQVAIKAINEGSMSEEDFIEEAKVMMKLSHSKLVQLYGVCIQRKPLYIVTEFMENGCLLNYLRENKGKLRKEMLLSVCQDICEGMEYLERNGYIHRDLAARNCLVSSTCIVKISDFGMTRYVLDDEYVSSFGAKFPIKWSPPEVFLFNKYSSKSDVWSFGVLMWEVFTEGKMPFENKSNLQVVEAISEGFRLYRPHLAPMSIYEVMYSCWHEKPEGRPTFAELLRAVTEIAETW
  
Inhibitor
Name:
BDBM50458603
Synonyms:
CHEMBL4216529 | US10752615, Compound 42
Type:
Small organic molecule
Emp. Form.:
C32H36N6O4S
Mol. Mass.:
600.731
SMILES:
O[C@H]1CC[C@@H](CC1)NCc1ccc2n([C@H]3C[C@]4(C3)CCN(C4)C(=O)C=C)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1 |r,wU:16.19,14.14,4.7,wD:1.0,(27.35,-24.1,;28.68,-24.87,;28.67,-26.42,;30.01,-27.19,;31.34,-26.42,;31.34,-24.88,;30.02,-24.11,;32.67,-27.19,;34,-26.42,;35.34,-27.19,;35.34,-28.73,;36.67,-29.51,;38.01,-28.73,;39.49,-29.21,;39.97,-30.66,;41.34,-31.36,;40.65,-32.73,;39.28,-32.04,;42.15,-33.06,;42.31,-34.6,;40.9,-35.22,;39.87,-34.06,;40.57,-36.72,;41.71,-37.76,;39.1,-37.19,;38.77,-38.69,;40.39,-27.94,;41.93,-27.94,;42.7,-26.6,;41.92,-25.27,;44.23,-26.59,;45.12,-25.33,;46.58,-25.79,;46.59,-27.33,;45.14,-27.81,;47.84,-28.22,;49.3,-27.73,;50.21,-28.96,;49.32,-30.21,;47.86,-29.75,;39.47,-26.7,;38,-27.18,;36.67,-26.42,)|
Structure:
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