Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase HCK
Ligand
BDBM50451499
Substrate
n/a
Meas. Tech.
ChEMBL_1745590 (CHEMBL4180100)
IC50
7.4±n/a nM
Citation
 Koda, Y; Kikuzato, K; Mikuni, J; Tanaka, A; Yuki, H; Honma, T; Tomabechi, Y; Kukimoto-Niino, M; Shirouzu, M; Shirai, F; Koyama, H Identification of pyrrolo[2,3-d]pyrimidines as potent HCK and FLT3-ITD dual inhibitors. Bioorg Med Chem Lett 27:4994-4998 (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:
BDBM50451499
Synonyms:
CHEMBL4209781
Type:
Small organic molecule
Emp. Form.:
C33H33N5O4
Mol. Mass.:
563.6462
SMILES:
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CC[C@@H](CC1)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r,wU:23.26,wD:26.33,30.35,(20.09,-15.9,;20.09,-17.44,;18.77,-18.22,;18.77,-19.76,;20.1,-20.53,;21.44,-19.75,;22.91,-20.22,;23.82,-18.96,;22.9,-17.72,;23.37,-16.25,;24.88,-15.93,;25.34,-14.47,;24.3,-13.33,;24.77,-11.86,;26.27,-11.52,;27.31,-12.67,;28.81,-12.34,;29.27,-10.87,;28.23,-9.73,;26.73,-10.06,;22.79,-13.67,;22.33,-15.13,;21.43,-18.21,;23.4,-21.68,;24.91,-21.98,;25.39,-23.45,;24.36,-24.6,;22.85,-24.29,;22.37,-22.83,;24.83,-26.06,;26.33,-26.37,;26.81,-27.83,;28.31,-28.15,;28.78,-29.6,;30.28,-29.92,;31.3,-28.78,;32.82,-29.09,;30.82,-27.32,;29.32,-27.01,;27.36,-25.23,;28.86,-25.55,;26.88,-23.78,)|
Structure:
Search PDB for entries with ligand similarity: