Receptor
PDB id Resolution Class Description Source Keywords
2xm9 2.5 Å EC: 2.7.11.1 STRUCTURE OF A SMALL MOLECULE INHIBITOR WITH THE KINASE DOMA CHK2 HOMO SAPIENS TRANSFERASE CANCER
Ref.: STRUCTURE-BASED DESIGN OF POTENT AND SELECTIVE 2-(QUINAZOLIN-2-YL)PHENOL INHIBITORS OF CHECKPOINT KI J.MED.CHEM. V. 54 580 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data Chemaxon Viewer Molecular Weight (Da) Formula SMILES
LWH A:1513;
Valid;
none;
ic50 = 0.009 uM 372.423 C21 H20 N6 O c1ccc...
NO3 A:1514;
Invalid;
none;
submit data 62.005 N O3 [N+](...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XK9 2.35 Å EC: 2.7.11.1 STRUCTURAL ANALYSIS OF CHECKPOINT KINASE 2 (CHK2) IN COMPLEX INHIBITOR PV1533 HOMO SAPIENS STRUCTURE-BASED DRUG DESIGN TRANSFERASE
Ref.: STRUCTURAL CHARACTERIZATION OF INHIBITOR COMPLEXES CHECKPOINT KINASE 2 (CHK2), A DRUG TARGET FOR CANCE THERAPY. J.STRUCT.BIOL. V. 176 292 2011
Members (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 79 families.
1 4BDB ic50 = 85.6 uM ODO C8 H9 N O3 C/C(=NO)/c....
2 2YCQ ic50 = 0.14 nM UPX C20 H17 N7 O3 C/C(=NNc1[....
3 2YIT ic50 = 0.29 nM YIT C21 H24 N6 O2 CCC/C(=NNC....
4 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]/N=C(N)....
5 2W7X ic50 = 138 nM D1A C18 H17 N7 O3 C/C(=NNC(=....
6 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
7 2XK9 ic50 = 0.03 nM XK9 C18 H17 N7 O4 C/C(=NNC(=....
8 2YCS ic50 = 1.36 nM NXP C18 H18 N6 O C/C(=NNC(=....
9 2YCF ic50 = 0.7 nM YCF C19 H24 N10 O3 [H]/N=C(N/....
10 2WTI ic50 = 0.092 uM WTI C18 H15 N3 O3 S c1cc(ccc1c....
11 2YIR ic50 = 0.17 nM YIR C20 H19 N7 O3 [H]/N=C(N)....
12 2XBJ ic50 = 0.86 uM XBJ C23 H27 F N4 O4 CC(C)([C@@....
13 4BDI ic50 = 227.7 uM HAU C14 H19 N3 O2 Cc1ccc(nc1....
14 2XM9 ic50 = 0.009 uM LWH C21 H20 N6 O c1ccc2c(c1....
15 2YCR ic50 = 69.6 nM HCW C23 H28 N10 O C/C(=NNC1=....
16 2YIQ ic50 = 12.67 nM YIQ C20 H19 N7 O C/C(=NNC(=....
17 2WTJ ic50 = 0.7 uM WTJ C16 H20 N4 O3 S CN(C)CCNC(....
18 2CN5 - ADP C10 H15 N5 O10 P2 [P+](O[P+]....