CRYSTAL STRUCTURE OF PDK1 IN COMPLEX WITH A PYRAZOLOQUINAZOLINE INHIBITOR
PDB id Source Resolution
2XCH 2.0 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
CKG Valid ic50 =  374.0 nM   launch gocavviewer-lite   403.48
C22 H25 N7 O
 c1c2c(nc(n1)N=C3C=CCC=C3)-c4c(c(nn4CC5CCNCC5)C(=O)N)CC2
GOL Invalid            
SO4 Invalid            

STRUCTURE-BASED OPTIMIZATION OF POTENT PDK1 INHIBIT BIOORG.MED.CHEM.LETT. V. 20 4095 2010

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90% Homology Family

The Class containing this family consists of a total of 56 families.
Leader:    3RWP
DISCOVERY OF A NOVEL, POTENT AND SELECTIVE INHIBITOR
OF 3- PHOSPHOINOSITIDE DEPENDENT KINASE (PDK1)
PDB id Binding data Representative ligand
3RWP Ki = 0.6 nM ABQ
1H1W   ATP
1OKY ic50 = 6.5 nM STO
1UU3 ic50 = 0.75 uM LY4
1UU7 ic50 = 14.0 uM BI2
1UU8 ic50 = 9.0 uM BI1
1UU9 ic50 = 3.8 uM BI3
1Z5M ic50 = 30.0 nM LI8
2BIY   ATP
2PE0   39Z
2PE1 ic50 = 6.0 nM 517
2PE2   464
2XCH ic50 = 374.0 nM CKG
2XCK ic50 = 713.0 nM MH4
3H9O ic50 = 70.0 nM 9BD
3HRC   ATP
3HRF Kd = 10.3 uM P47
3ION ic50 = 8.0 nM 8H1
3IOP ic50 = 17.0 nM 8I1
3NAX   MP7
3ORZ   BI4
3OTU   BI4
3QC4 ic50 = 0.0020 uM MP7
3QCQ ic50 = 1.58E-7 M 3Q0
3QCS ic50 = 3.16E-7 M 3Q1
3QCX ic50 = 6.31E-8 M 3Q2
3QCY ic50 = 2.0E-8 M 3Q3
3QD0 ic50 = 3.16E-9 M 3Q4
3QD3 ic50 = 1.0E-8 M 3Q5
3QD4 ic50 = 6.31E-9 M 3Q6
3RCJ ic50 = 0.8 uM 3RC
4A06   A06
4A07   AZ7