Ki Summary

Reaction Details

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Target

Tyrosine-protein kinase HCK

Ligand

BDBM50614536

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2297696

IC50

2310±n/a nM

Citation

Toenjes, ST; Heydari, BS; Albright, ST; Hazin, R; Ortiz, MA; Piedrafita, FJ; Gustafson, JL Controlling Ibrutinib's Conformations about Its Heterobiaryl Axis to Increase BTK Selectivity. ACS Med Chem Lett14:305-311 (2023) [PubMed]

More Info.:

Get all data from this article, Assay Method

Tyrosine-protein kinase HCK

Name:

Tyrosine-protein kinase HCK

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

59600.18

Organism:

Homo sapiens (Human)

Description:

P08631

Residue:

526

Sequence:

MGGRSSCEDPGCPRDEERAPRMGCMKSKFLQVGGNTFSKTETSASPHCPVYVPDPTSTIK
PGPNSHNSNTPGIREAGSEDIIVVALYDYEAIHHEDLSFQKGDQMVVLEESGEWWKARSL
ATRKEGYIPSNYVARVDSLETEEWFFKGISRKDAERQLLAPGNMLGSFMIRDSETTKGSY
SLSVRDYDPRQGDTVKHYKIRTLDNGGFYISPRSTFSTLQELVDHYKKGNDGLCQKLSVP
CMSSKPQKPWEKDAWEIPRESLKLEKKLGAGQFGEVWMATYNKHTKVAVKTMKPGSMSVE
AFLAEANVMKTLQHDKLVKLHAVVTKEPIYIITEFMAKGSLLDFLKSDEGSKQPLPKLID
FSAQIAEGMAFIEQRNYIHRDLRAANILVSASLVCKIADFGLARVIEDNEYTAREGAKFP
IKWTAPEAINFGSFTIKSDVWSFGILLMEIVTYGRIPYPGMSNPEVIRALERGYRMPRPE
NCPEELYNIMMRCWKNRPEERPTFEYIQSVLDDFYTATESQYQQQP

BDBM50614536

n/a

Name

BDBM50614536

Synonyms:

CHEMBL5278149

Type

Small organic molecule

Emp. Form.

C27H28N6O2

Mol. Mass.

468.5502

SMILES

Cc1cc(Oc2ccccc2)cc(C)c1-c1nn([C@H]2CCCN(C2)C(=O)C=C)c2ncnc(N)c12 |r,wD:18.19,(1.35,.46,;.58,1.79,;1.37,3.12,;.61,4.46,;1.39,5.78,;2.93,5.76,;3.72,7.09,;5.27,7.08,;6.02,5.73,;5.23,4.4,;3.69,4.43,;-.93,4.47,;-1.71,3.14,;-3.25,3.14,;-.96,1.81,;-1.65,.43,;-.93,-.93,;-2.01,-2.04,;-1.75,-3.56,;-2.85,-4.63,;-2.48,-6.12,;-1,-6.55,;.11,-5.48,;-.26,-3.98,;1.59,-5.89,;1.9,-7.09,;2.7,-4.83,;3.88,-5.17,;-3.38,-1.35,;-4.81,-1.92,;-6.02,-.97,;-5.8,.55,;-4.37,1.12,;-4.2,2.34,;-3.16,.17,)|

Structure