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Target
Serine/threonine-protein kinase Chk1
Ligand
BDBM91888
Substrate
n/a
Meas. Tech.
Abbott Kinase Enzymatics_CHK1/289 CDC25c
IC50
10000±n/a nM
Citation
 CSARdock, CD CHK1 in CSAR_FULL_RELEASE_3JULY2012 CSAR 1:0 (2012)  
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:
BDBM91888
Synonyms:
Chk1_23
Type:
n/a
Emp. Form.:
C29H29N3O2
Mol. Mass.:
451.5595
SMILES:
CC1CCC(CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc3cc(ccc3c2)C(O)=O)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;6.42,1.81,;6.86,.34,;5.6,-.54,;4.37,.39,;7.35,3.04,;6.75,4.46,;7.68,5.69,;9.21,5.5,;10.14,6.73,;11.66,6.53,;12.26,5.12,;11.33,3.89,;9.8,4.08,;8.88,2.85,;12.59,7.76,;12,9.18,;14.12,7.57,;.89,2.24,)|
Structure:
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