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Target
Galactokinase
Ligand
BDBM50588172
Substrate
n/a
Meas. Tech.
ChEMBL_2186388 (CHEMBL5098470)
IC50
49±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:
BDBM50588172
Synonyms:
CHEMBL5073602
Type:
Small organic molecule
Emp. Form.:
C26H26ClFN8O2
Mol. Mass.:
536.988
SMILES:
CCn1cc(CNC(=O)C2=C(C)NC(Nc3nc4ccc(F)c(N)c4o3)=NC2c2ccc(C)cc2Cl)cn1 |c:9,27|
Structure:
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