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Target
Serine/threonine-protein kinase Chk2
Ligand
BDBM50196392
Substrate
n/a
Meas. Tech.
ChEMBL_420099 (CHEMBL873741)
IC50
13±n/a nM
Citation
 El Abdellaoui, H; Varaprasad, CV; Barawkar, D; Chakravarty, S; Maderna, A; Tam, R; Chen, H; Allan, M; Wu, JZ; Appleby, T; Yan, S; Zhang, W; Lang, S; Yao, N; Hamatake, R; Hong, Z Identification of isothiazole-4-carboxamidines derivatives as a novel class of allosteric MEK1 inhibitors. Bioorg Med Chem Lett 16:5561-6 (2006) [PubMed]  Article 
Target
Name:
Serine/threonine-protein kinase Chk2
Synonyms:
CDS1 | CHEK2 | CHK2 | CHK2_HUMAN | Checkpoint Kinase (Chk2) | RAD53 | Serine/threonine-protein kinase Chek2 | Serine/threonine-protein kinase Chk1/2
Type:
Protein
Mol. Mass.:
60908.59
Organism:
Homo sapiens (Human)
Description:
O96017
Residue:
543
Sequence:
MSRESDVEAQQSHGSSACSQPHGSVTQSQGSSSQSQGISSSSTSTMPNSSQSSHSSSGTLSSLETVSTQELYSIPEDQEPEDQEPEEPTPAPWARLWALQDGFANLECVNDNYWFGRDKSCEYCFDEPLLKRTDKYRTYSKKHFRIFREVGPKNSYIAYIEDHSGNGTFVNTELVGKGKRRPLNNNSEIALSLSRNKVFVFFDLTVDDQSVYPKALRDEYIMSKTLGSGACGEVKLAFERKTCKKVAIKIISKRKFAIGSAREADPALNVETEIEILKKLNHPCIIKIKNFFDAEDYYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILGETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEENESTALPQVLAQPSTSRKRPREGEAEGAETTKRPAVCAAVL
  
Inhibitor
Name:
BDBM50196392
Synonyms:
3-hydroxy-N-(2-hydroxy-1-methyl-ethyl)-5-(4-phenylamino-phenylamino)-isothiazole-4-carboxamidine | 3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenylamino)phenylamino)isothiazole-4-carboximidamide | CHEMBL253116
Type:
Small organic molecule
Emp. Form.:
C19H21N5O2S
Mol. Mass.:
383.467
SMILES:
CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:4.3|
Structure:
Search PDB for entries with ligand similarity: