Reaction Details Report a problem with these data
Target
Galactokinase
Ligand
BDBM50588171
Substrate
n/a
Meas. Tech.
ChEMBL_2186389 (CHEMBL5098471)
IC50
3060±n/a nM
Citation
 Liu, L; Tang, M; Pragani, R; Whitby, FG; Zhang, YQ; Balakrishnan, B; Fang, Y; Karavadhi, S; Tao, D; LeClair, CA; Hall, MD; Marugan, JJ; Boxer, M; Shen, M; Hill, CP; Lai, K; Patnaik, S Structure-Based Optimization of Small Molecule Human Galactokinase Inhibitors. J Med Chem 64:13551-13571 (2021) [PubMed] 
Target
Name:
Galactokinase
Synonyms:
2.7.1.6 | GALK1_MOUSE | Galactose kinase | Galk | Galk1 | Glk
Type:
PROTEIN
Mol. Mass.:
42286.16
Organism:
Mus musculus
Description:
ChEMBL_120741
Residue:
392
Sequence:
MAAWRPPRVEELLAEARRAFMEEFGAEPELAVSAPGRVNLIGEHTDYNQGLVLPMALELVTVMVGSPRTDGLVSLLTTSKDADEPQRLQFPLPSAQWSLEPGIPQWANYVKGVIQHYPASPLVGFSAVVVSSVPLGGGLSSSASLEVATYTFIQQLCPDSGAIAARAQVCQRAEHSFAGVPCGIMDQLIALLGQKGYALLIDCRSLETSLVPLSDPKLAVLITNSNVRHSLGSSEYPVRRRQCEEVAQALGKESLREVRMEELEAGRELMSKEGFRRARHVVSEIRRTAQAAAAMSRGDYKAFGRLMVESHYSLRDDYEVSCPELDQLVEAALSVPGVYGSRMTGGGFGGCTVTLLEASVAPLVIDHIQEQYSGTATFYLSQAADGAQVLSL
  
Inhibitor
Name:
BDBM50588171
Synonyms:
CHEMBL5077147
Type:
Small organic molecule
Emp. Form.:
C26H27ClN8O2
Mol. Mass.:
518.998
SMILES:
CCn1cc(CNC(=O)C2=C(C)NC(Nc3nc4cccc(N)c4o3)=NC2c2ccc(C)cc2Cl)cn1 |c:9,26|
Structure:
Search PDB for entries with ligand similarity: