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Target
Tyrosine-protein kinase HCK
Ligand
BDBM8793
Substrate
n/a
Meas. Tech.
ChEMBL_1705444 (CHEMBL4056677)
IC50
0.430000±n/a nM
Citation
 Yuki, H; Kikuzato, K; Koda, Y; Mikuni, J; Tomabechi, Y; Kukimoto-Niino, M; Tanaka, A; Shirai, F; Shirouzu, M; Koyama, H; Honma, T Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg Med Chem 25:4259-4264 (2017) [PubMed]  Article 
Target
Name:
Tyrosine-protein kinase HCK
Synonyms:
HCK | HCK_HUMAN | Hematopoietic cell kinase | Hemopoietic cell kinase | p59-HCK/p60-HCK | p59Hck | p61Hck
Type:
Enzyme Catalytic Domain
Mol. Mass.:
59600.18
Organism:
Homo sapiens (Human)
Description:
P08631
Residue:
526
Sequence:
MGGRSSCEDPGCPRDEERAPRMGCMKSKFLQVGGNTFSKTETSASPHCPVYVPDPTSTIKPGPNSHNSNTPGIREAGSEDIIVVALYDYEAIHHEDLSFQKGDQMVVLEESGEWWKARSLATRKEGYIPSNYVARVDSLETEEWFFKGISRKDAERQLLAPGNMLGSFMIRDSETTKGSYSLSVRDYDPRQGDTVKHYKIRTLDNGGFYISPRSTFSTLQELVDHYKKGNDGLCQKLSVPCMSSKPQKPWEKDAWEIPRESLKLEKKLGAGQFGEVWMATYNKHTKVAVKTMKPGSMSVEAFLAEANVMKTLQHDKLVKLHAVVTKEPIYIITEFMAKGSLLDFLKSDEGSKQPLPKLIDFSAQIAEGMAFIEQRNYIHRDLRAANILVSASLVCKIADFGLARVIEDNEYTAREGAKFPIKWTAPEAINFGSFTIKSDVWSFGILLMEIVTYGRIPYPGMSNPEVIRALERGYRMPRPENCPEELYNIMMRCWKNRPEERPTFEYIQSVLDDFYTATESQYQQQP
  
Inhibitor
Name:
BDBM8793
Synonyms:
7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine | CHEMBL45177 | Pyrrolo[2,3-d]pyrimidine 1
Type:
Small organic molecule
Emp. Form.:
C29H34N6O
Mol. Mass.:
482.6199
SMILES:
CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|
Structure:
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