IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6- DICHLOROBENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT- BA SED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN
PDB id Source Resolution
2VTM 2.25 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
(click picture
to launch)		 Chemaxon
Viewer		 Molecular
Weight
(Da)		 Formula SMILES
LZM Valid ic50 ~  1.0 mM   launch gocavviewer-lite   144.133
C7 H4 N4
 c1cnc2c(cnn2c1)C#N

IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXAMIDE (AT NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE DRUG DESIGN. J.MED.CHEM. V. 51 4986 20

More Information
External References
PDB
Pubmed
Biounit Downloads
This PDB
This Family
This Class
Comma Separated Files
This PDB
This Family
This Class
Download BindingMOAD
90% Homology Family

The Class containing this family consists of a total of 5 families.
Leader:    2XMY
DISCOVERY AND CHARACTERISATION OF 2-ANILINO-4
-(THIAZOL-5-YL) PYRIMIDINE TRANSCRIPTIONAL CDK
INHIBITORS AS ANTICANCER A GENTS
PDB id Binding data Representative ligand
2XMY Ki = 0.11 nM CDK
1AQ1   STU
1B38 Kd = 0.254 uM ATP
1B39 Kd = 0.12 uM ATP
1CKP   PVB
1DI8 ic50 = 1.0 uM DTQ
1DM2   HMD
1E1V Ki = 12.0 uM CMG
1E1X Ki = 1.3 uM NW1
1FVT   106
1GII   1PU
1GIJ   2PU
1GZ8   MBP
1H00 ic50 = 38.0 uM FCP
1H01 ic50 = 22.0 uM FBL
1H07 ic50 = 3.0 uM MFQ
1H08   BYP-BWP
1H0V   UN4
1HCK   ATP
1JSV   U55
1JVP ic50 = 1.6 uM LIG
1KE5 ic50 = 560.0 nM LS1
1KE6 ic50 = 5.7 nM LS2
1KE7 ic50 = 8.9 nM LS3
1KE8 ic50 = 1000.0 nM LS4
1KE9 ic50 = 660.0 nM LS5
1OIQ ic50 = 2.9 uM HDU
1OIR ic50 = 0.032 uM HDY
1OIT ic50 < 0.0030 uM HDT
1P2A ic50 = 12.0 nM 5BN
1PXI   CK1
1PXJ   CK2
1PXL   CK4
1PXN Ki ~ 0.32 uM CK6
1PXO Ki = 2.0 nM CK7
1PXP Ki ~ 0.22 uM CK8
1PYE ic50 = 0.32 uM PM1
1R78 ic50 = 3.0 nM FMD
1URW ic50 < 0.0030 uM I1P
1V1K Ki = 35.0 uM 3FP
1VYZ ic50 = 290.0 nM N5B
1W0X   OLO
1WCC ic50 = 350.0 uM CIG
1Y8Y ic50 = 2.0 uM CT7
1Y91 ic50 = 0.059 uM CT9
1YKR ic50 = 0.56 uM 628
2A0C   CK9
2A4L ic50 = 0.4 uM RRC
2B52 ic50 = 8.0 nM D42
2B53 ic50 = 0.6 uM D23
2B54   D05
2B55 ic50 = 96.0 nM D31
2BHE ic50 = 1.0 uM BRY
2BTR ic50 = 95.0 nM U73
2BTS ic50 = 20.0 nM U32
2C5Y ic50 = 0.25 uM MTW
2C68 ic50 = 1.8 uM CT6
2C69 ic50 = 26.0 uM CT8
2C6I ic50 = 11.0 uM DT1
2C6K ic50 = 0.73 uM DT2
2C6L ic50 = 0.27 uM DT4
2C6M ic50 = 0.35 uM DT5
2C6O   4SP
2DS1 ic50 = 6.4 nM 1CD
2DUV ic50 = 0.087 uM 371
2EXM   ZIP
2FVD Ki = 0.0030 uM LIA
2R3F ic50 = 500.0 nM SC8
2R3G ic50 = 800.0 nM SC9
2R3H ic50 = 20000.0 nM SCE
2R3I ic50 = 1000.0 nM SCF
2R3J ic50 = 10.0 nM SCJ
2R3K ic50 = 100.0 nM SCQ
2R3L ic50 = 100.0 nM SCW
2R3M ic50 = 10.0 nM SCX
2R3N ic50 = 70.0 nM SCZ
2R3O ic50 = 600.0 nM 2SC
2R3P ic50 = 900.0 nM 3SC
2R3Q   5SC
2R3R   6SC
2R64 ic50 = 0.03 uM 740
2UZN ic50 = 0.03 uM C96
2UZO ic50 = 18.0 uM C62
2V0D   C53
2VTA ic50 = 185.0 uM LZ1
2VTH ic50 = 120.0 uM LZ2
2VTI ic50 = 0.66 uM LZ3
2VTJ ic50 = 1.9 uM LZ4
2VTL ic50 = 97.0 uM LZ5
2VTM ic50 ~ 1.0 mM LZM
2VTN ic50 = 0.85 uM LZ7
2VTO ic50 = 0.14 uM LZ8
2VTP ic50 = 0.0030 uM LZ9
2VTQ ic50 = 0.14 uM LZA
2VTR ic50 = 1.5 uM LZB
2VTS ic50 = 0.03 uM LZC
2VTT ic50 = 0.044 uM LZD
2VU3 ic50 = 0.047 uM LZE
2VV9 ic50 = 0.017 uM IM9
2W05 ic50 = 0.0010 uM FRT
2W06   FRV
2W17 ic50 = 0.0020 uM I19
2W1H ic50 = 0.052 uM L0F
2XNB Ki = 149.0 nM Y8L
3EZR   EZR
3EZV   EZV
3FZ1   B98
3IG7 ic50 = 9.0 nM EFP
3IGG ic50 = 95.0 nM EFQ
3LE6 ic50 = 0.035 uM 2BZ
3LFN Ki = 3160.0 nM A27
3LFQ   A28
3LFS Ki = 2.5 uM A07
3NS9 ic50 = 0.0030 uM NS9
3PJ8   404
3PXF Kd = 37.0 uM 2AN
3PXQ Kd = 37.0 uM 2AN
3PXY ic50 = 5.9 uM JWS
3PXZ Kd = 37.0 uM 2AN
3PY0 ic50 = 0.13 uM SU9
3PY1 Kd = 37.0 uM 2AN
3S2P ic50 = 0.068 uM PMU