Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM15268
Substrate
Cdc25C peptide substrate
Meas. Tech.
Chk1 Enzymatic Assay
IC50
2±n/a nM
Citation
 Tao, ZFWang, LStewart, KDChen, ZGu, WBui, MHMerta, PZhang, HKovar, PJohnson, EPark, CJudge, RRosenberg, SSowin, TLin, NH Structure-based design, synthesis, and biological evaluation of potent and selective macrocyclic checkpoint kinase 1 inhibitors. J Med Chem 50:1514-27 (2007) [PubMed]  Article 
Target
Name:
Serine/threonine-protein kinase Chk1
Synonyms:
CHEK1 | CHK1 | CHK1 checkpoint homolog | CHK1_HUMAN | Checkpoint kinase-1 (CHK1)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
54443.02
Organism:
Homo sapiens (Human)
Description:
gi_166295192
Residue:
476
Sequence:
MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICINKMLNHENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGFSKHIQSNLDFSPVNSASSEENVKYSSSQPEPRTGLSLWDTSPSYIDKLVQGISFSQPTCPDHMLLNSQLLGTPGSSQNPWQRLVKRMTRFFTKLDADKSYQCLKETCEKLGYQWKKSCMNQVTISTTDRRNNKLIFKVNLLEMDDKILVDFRLSKGDGLEFKRHFLKIKGKLIDIVSSQKIWLPAT
  
Inhibitor
Name:
BDBM15268
Synonyms:
7-chloro-8-(methylamino)-3-oxo-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0^{5,10}]docosa-1(21),5(10),6,8,18(22),19-hexaene-19-carbonitrile | macrocyclic inhibitor 17a
Type:
Small organic molecule
Emp. Form.:
C18H19ClN6O3
Mol. Mass.:
402.835
SMILES:
CNc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Cdc25C peptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2519.88
Organism:
n/a
Description:
Cdc25c peptide substrate contained a sequence of amino acid residues 204-225 of human phosphatase Cdc25C.
Residue:
22
Sequence:
AKVSRSGLYRSPSMPENLNRPR