Reaction Details Report a problem with these data
Target
Putative glycogen synthase kinase 3 alpha
Ligand
BDBM13533
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
1.06e+3± 2.5e+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:
BDBM13533
Synonyms:
1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea | 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[4-[2-(4-morpholinyl)ethoxy]-1-naphthalenyl]urea | 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea | 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-(2-morpholinoethoxy)-1-naphthyl]urea | 3-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea | 3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea | BIRB 796 | BIRB-796 | BIRB-796, 3 | CHEMBL103667 | D3RKN_73 | Doramapimod | US11407771, Compound 43 | US8933228, BIRB 796 | US9187470, 43 (BIRB-796) | US9242960, BIRB 796 | US9260410, BIRB796 | cid_156422 | diaryl urea compound 10
Type:
Small organic molecule
Emp. Form.:
C31H37N5O3
Mol. Mass.:
527.6572
SMILES:
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: