Reaction Details Report a problem with these data
Target
Putative glycogen synthase kinase 3 alpha
Ligand
BDBM14847
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
1.1e+3± 3e+2 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:
BDBM14847
Synonyms:
1-[2-(3-Aminophenyl)-5-tert-butyl-2H-pyrazol-3-yl]-3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]urea | 3-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea | BIRB-796 Analog 38 | BIRB-796 derivative, 13
Type:
Small organic molecule
Emp. Form.:
C30H36N6O3
Mol. Mass.:
528.6452
SMILES:
CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1cccc(N)c1
Structure:
Search PDB for entries with ligand similarity: