Reaction Details  Report a problem with these data
Target
Putative glycogen synthase kinase 3 alpha
Ligand
BDBM92351
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
8.5e+3± 7.2e+3 nM
Citation
 Grütter, C; Simard, JR; Mayer-Wrangowski, SC; Schreier, PH; Pérez-Martí­n, J; Richters, A; Getlik, M; Gutbrod, O; Braun, CA; Beck, ME; Rauh, D Targeting GSK3 from Ustilago maydis: Type-II Kinase Inhibitors as Potential Antifungals. ACS Chem Biol 7:1257-67 (2012) [PubMed]  Article
Target
Name:
Putative glycogen synthase kinase 3 alpha
Synonyms:
Glycogen Synthase Kinase 3 (GSK3)
Type:
Protein
Mol. Mass.:
45420.65
Organism:
Ustilago maydis (Smut fungus)
Description:
A0A0D1CGS9
Residue:
402
Sequence:
MSNAPLNGVKLNPLDDPNKVIKVLASDGKTGEQREIAYTNCKVIGNGSFGVVFQAKLVSQGSEPAEGSSKESDEVAIKKVLQDKRFKNRELQIMRIVKHPNVVDLKAFFYSNGDKKDEVFLNLVLEYVPETVYRASRHYAKLKQTMPMLLIKLYMYQLLRSLAYIHSIGICHRDIKPQNLLLDPPSGVLKLIDFGSAKILIAGEPNVSYICSRYYRAPELIFGATNYTTNIDIWSTGCVMAELMQGQPLFPGESGIDQLVEIIKVLGTPSREQIKTMNPNYMEHKFPQIRPHPFSKVFRPRTPPDAIDLISRLLEYTPSARLTAIEALCHPFFDELRTGEARMPNGRELPPLFNWTKEELSVRPDLISRLVPQHAEAELLSRGIDVHNFQPIPLESLKVTLD
  
Inhibitor
Name:
BDBM92351
Synonyms:
Thiazole-urea, 11
Type:
Small organic molecule
Emp. Form.:
C28H30FN5O4S
Mol. Mass.:
551.632
SMILES:
CC(C)(C)c1cc(NC(=O)Nc2nc(CCOCc3ccc(F)cc3)cs2)n(n1)-c1ccc(CC(O)=O)cc1
Structure:
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