Reaction Details Report a problem with these data
Target
Putative glycogen synthase kinase 3 alpha
Ligand
BDBM50290417
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
3.01e+3± 5.6e+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:
BDBM50290417
Synonyms:
2-Amino-pyrimidine, 19 | CHEMBL418270 | N-[3-(4-Pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-nicotinamide
Type:
Small organic molecule
Emp. Form.:
C21H16N6O
Mol. Mass.:
368.3913
SMILES:
O=C(Nc1cccc(Nc2nccc(n2)-c2cccnc2)c1)c1cccnc1
Structure:
Search PDB for entries with ligand similarity: