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Target
Serine/threonine-protein kinase Chk2
Ligand
BDBM50335664
Substrate
n/a
Meas. Tech.
ChEMBL_714871 (CHEMBL1663817)
IC50
1050±n/a nM
Citation
 Caldwell, JJ; Welsh, EJ; Matijssen, C; Anderson, VE; Antoni, L; Boxall, K; Urban, F; Hayes, A; Raynaud, FI; Rigoreau, LJ; Raynham, T; Aherne, GW; Pearl, LH; Oliver, AW; Garrett, MD; Collins, I Structure-based design of potent and selective 2-(quinazolin-2-yl)phenol inhibitors of checkpoint kinase 2. J Med Chem 54:580-90 (2011) [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:
BDBM50335664
Synonyms:
(2R,4S)-methyl 4-(2-o-tolylquinazolin-4-ylamino)pyrrolidine-2-carboxylate | CHEMBL1650112
Type:
Small organic molecule
Emp. Form.:
C21H22N4O2
Mol. Mass.:
362.425
SMILES:
COC(=O)[C@H]1C[C@@H](CN1)Nc1nc(nc2ccccc12)-c1ccccc1C |r|
Structure:
Search PDB for entries with ligand similarity: