Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM16589
Substrate
Chktide
Meas. Tech.
Kinase assays for IC50 determinations
pH
7.5±n/a
Temperature
303.15±n/a K
IC50
42±13 nM
Citation
 Foloppe, NFisher, LMFrancis, GHowes, RKierstan, PPotter, A Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification. Bioorg Med Chem 14:1792-804 (2006) [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:
BDBM16589
Synonyms:
4-[3-(1H-1,3-benzodiazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol | 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-methoxyphenol | Indazole Compound 1
Type:
Small organic molecule
Emp. Form.:
C21H16N4O2
Mol. Mass.:
356.3773
SMILES:
COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Chktide
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2707.16
Organism:
n/a
Description:
n/a
Residue:
23
Sequence:
KKKVSRSGLYRSPSMPENLNRPR