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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM50214562
Substrate
n/a
Meas. Tech.
ChEMBL_570759 (CHEMBL1026934)
Ki
0.100000±n/a nM
Citation
 Brown, SP; Muchmore, SW Large-scale application of high-throughput molecular mechanics with Poisson-Boltzmann surface area for routine physics-based scoring of protein-ligand complexes. J Med Chem 52:3159-65 (2009) [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:
BDBM50214562
Synonyms:
2-(3-(4'-hydroxybiphenyl-4-yl)-7-methoxy-1,4-dihydroindeno[1,2-c]pyrazol-6-yloxy)propane-1,3-diol | 2-[3-(4'-hydroxy-biphenyl-4-yl)-7-methoxy-2,4-dihydro-indeno[1,2-c]pyrazol-6-yloxy]-propane-1,3-diol | CHEMBL248194
Type:
Small organic molecule
Emp. Form.:
C26H24N2O5
Mol. Mass.:
444.4792
SMILES:
COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)cc1OC(CO)CO
Structure:
Search PDB for entries with ligand similarity: