STRUCTURAL ANALYSIS OF CHECKPOINT KINASE 2 IN COMPLEX WITH PV1162, A NOVEL INHIBITOR
PDB id Source Resolution
2YIT 2.2 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
YIT Valid ic50 =  0.29 nM   launch gocavviewer-lite   392.454
C21 H24 N6 O2
 CCC/C(=NNC(=N)N)/c1ccc(cc1)NC(=O)c2cc3cc(ccc3[nH]2)OC
NO3 Invalid            

X-RAY STRUCTURES OF CHECKPOINT KINASE 2 IN COMPLEX INHIBITORS THAT TARGET ITS GATEKEEPER-DEPENDENT HYD POCKET. FEBS LETT. V. 585 3245 2011

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90% Homology Family

The Class containing this family consists of a total of 56 families.
Leader:    2YCQ
CRYSTAL STRUCTURE OF CHECKPOINT KINASE 2 IN COMPLEX
WITH INH PV1115
PDB id Binding data Representative ligand
2YCQ ic50 = 0.14 nM UPX
2CN5   ADP
2W0J ic50 = 240.0 nM ZAT
2W7X ic50 = 138.0 nM D1A
2WTI ic50 = 0.092 uM WTI
2WTJ ic50 = 0.7 uM WTJ
2XBJ ic50 = 0.86 uM XBJ
2XK9 ic50 = 0.03 nM XK9
2XM9 ic50 = 0.0090 uM LWH
2YCF ic50 = 0.7 nM YCF
2YCR ic50 = 69.6 nM HCW
2YCS ic50 = 1.36 nM NXP
2YIQ ic50 = 12.67 nM YIQ
2YIR ic50 = 0.17 nM YIR
2YIT ic50 = 0.29 nM YIT