Reaction Details Report a problem with these data
Target
Protein-tyrosine kinase 6
Ligand
BDBM514123
Substrate
n/a
Meas. Tech.
Measurement of Brk Inhibitory Activity
IC50
10.00±n/a nM
Citation
 Yamamoto, S; Kurono, M; Yoshida, A; Hotta, S BRK inhibitory compound US Patent  US11052091 Publication Date 7/6/2021 
Target
Name:
Protein-tyrosine kinase 6
Synonyms:
BRK | Breast tumor kinase | KH domain-containing, RNA-binding, signal transduction-associated protein 1 | PTK6 | PTK6_HUMAN | Protein-tyrosine kinase 6 (BRK) | Tyrosine Kinase BRK | Tyrosine-protein kinase 6 | Tyrosine-protein kinase BRK
Type:
Tyrosine-protein kinase
Mol. Mass.:
51839.11
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
451
Sequence:
MVSRDQAHLGPKYVGLWDFKSRTDEELSFRAGDVFHVARKEEQWWWATLLDEAGGAVAQGYVPHNYLAERETVESEPWFFGCISRSEAVRRLQAEGNATGAFLIRVSEKPSADYVLSVRDTQAVRHYKIWRRAGGRLHLNEAVSFLSLPELVNYHRAQSLSHGLRLAAPCRKHEPEPLPHWDDWERPREEFTLCRKLGSGYFGEVFEGLWKDRVQVAIKVISRDNLLHQQMLQSEIQAMKKLRHKHILALYAVVSVGDPVYIITELMAKGSLLELLRDSDEKVLPVSELLDIAWQVAEGMCYLESQNYIHRDLAARNILVGENTLCKVGDFGLARLIKEDVYLSHDHNIPYKWTAPEALSRGHYSTKSDVWSFGILLHEMFSRGQVPYPGMSNHEAFLRVDAGYRMPCPLECPPSVHKLMLTCWCRDPEQRPCFKALRERLSSFTSYENPT
  
Inhibitor
Name:
BDBM514123
Synonyms:
US11052091, Example 2-2
Type:
Small organic molecule
Emp. Form.:
C22H19F3N8O3S
Mol. Mass.:
532.498
SMILES:
CC(C)n1c2nc(Nc3ccc(cc3F)S(C)(=O)=O)nc(N)c2n(-c2cc(F)c(F)c3[nH]ncc23)c1=O |(3.18,-5.49,;4.27,-4.4,;5.75,-4.8,;3.87,-2.91,;2.4,-2.43,;1.07,-3.2,;-.26,-2.43,;-1.6,-3.2,;-2.93,-2.43,;-2.93,-.89,;-4.26,-.12,;-5.6,-.89,;-5.6,-2.43,;-4.26,-3.2,;-4.26,-4.74,;-6.93,-.12,;-8.27,.65,;-8.27,-.89,;-6.93,1.42,;-.26,-.89,;1.07,-.12,;1.07,1.42,;2.4,-.89,;3.87,-.42,;4.27,1.07,;3.24,2.21,;3.71,3.68,;2.62,4.77,;5.22,4,;5.62,5.49,;6.25,2.85,;7.79,2.85,;8.27,1.39,;7.02,.48,;5.77,1.39,;4.77,-1.66,;6.31,-1.66,)|
Structure:
Search PDB for entries with ligand similarity: