Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM14810
Substrate
Chktide
Meas. Tech.
Chk1 Enzymatic Assay
pH
7.5±n/a
Temperature
303.15±n/a K
IC50
>100000±n/a nM
Citation
 Foloppe, NFisher, LMHowes, RKierstan, PPotter, ARobertson, AGSurgenor, AE Structure-based design of novel Chk1 inhibitors: insights into hydrogen bonding and protein-ligand affinity. J Med Chem 48:4332-45 (2005) [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:
BDBM14810
Synonyms:
2-(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-2-phenyl-ethanol | 2-({5,6-diphenylfuro[2,3-d]pyrimidin-4-yl}amino)-2-phenylethan-1-ol | furanopyrimidine compound 12
Type:
Small organic molecule
Emp. Form.:
C26H21N3O2
Mol. Mass.:
407.4638
SMILES:
OCC(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)c1ccccc1
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