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Target
Galactokinase
Ligand
BDBM50588168
Substrate
n/a
Meas. Tech.
ChEMBL_2186388 (CHEMBL5098470)
IC50
120±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:
GALK | GALK1 | GALK1_HUMAN | Galactokinase | Galactokinase (GALK) | Galactose kinase
Type:
Enzyme
Mol. Mass.:
42271.26
Organism:
Homo sapiens (Human)
Description:
P51570
Residue:
392
Sequence:
MAALRQPQVAELLAEARRAFREEFGAEPELAVSAPGRVNLIGEHTDYNQGLVLPMALELMTVLVGSPRKDGLVSLLTTSEGADEPQRLQFPLPTAQRSLEPGTPRWANYVKGVIQYYPAAPLPGFSAVVVSSVPLGGGLSSSASLEVATYTFLQQLCPDSGTIAARAQVCQQAEHSFAGMPCGIMDQFISLMGQKGHALLIDCRSLETSLVPLSDPKLAVLITNSNVRHSLASSEYPVRRRQCEEVARALGKESLREVQLEELEAARDLVSKEGFRRARHVVGEIRRTAQAAAALRRGDYRAFGRLMVESHRSLRDDYEVSCPELDQLVEAALAVPGVYGSRMTGGGFGGCTVTLLEASAAPHAMRHIQEHYGGTATFYLSQAADGAKVLCL
  
Inhibitor
Name:
BDBM50588168
Synonyms:
CHEMBL5075869
Type:
Small organic molecule
Emp. Form.:
C25H25ClN8O2
Mol. Mass.:
504.971
SMILES:
CC1=C([C@@H](N=C(Nc2nc3cccc(N)c3o2)N1)c1ccc(C)cc1Cl)C(=O)NCc1cnn(C)c1 |r,t:1,4|
Structure:
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