Receptor
PDB id Resolution Class Description Source Keywords
1pxo 1.96 Å EC: 2.7.11.22 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2- Y L]-(3-NITRO-PHENYL)-AMINE HOMO SAPIENS PROTEIN KINASE CELL CYCLE PHOSPHORYLATION CELL DIVISION MITOSIS INHIBITION TRANSFERASE SERINE/THREONINE-PROTEIN KINASE ATP-BINDING 3D-STRUCTURE.
Ref.: 2-ANILINO-4-(THIAZOL-5-YL)PYRIMIDINE CDK INHIBITORS: SYNTHESIS, SAR ANALYSIS, X-RAY CRYSTALLOGRAPHY, AND BIOLOGICAL ACTIVITY. J.MED.CHEM. V. 47 1662 2004
Ligand Information
Ligand Validity Binding Data Ligand Warnings Chemaxon Viewer Molecular Weight (Da) Formula SMILES
CK7 Valid Ki = 2 nM More atoms than expected were found for ligand in PDB. % Diff = 1.3913 328.349
C14 H12 N6 O2 S
Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-]
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
No: PDB id Binding Data Representative ligand
1 3PXF Kd = 37 uM 2AN
2 3TI1 - B49
3 2R3G ic50 = 800 nM SC9
4 3PXQ Kd = 37 uM 2AN
5 2R3N ic50 = 70 nM SCZ
6 2C69 ic50 = 26 uM CT8
7 2VTM ic50 ~ 1 mM LZM
8 1H0V - UN4
9 4ERW - STU
10 1JSV - U55
11 1E1V Ki = 12 uM CMG
12 1OIQ ic50 = 2.9 uM HDU
13 2VV9 ic50 = 0.017 uM IM9
14 2W17 ic50 = 0.002 uM I19
15 2VTP ic50 = 0.003 uM LZ9
16 1JVP ic50 = 1.6 uM LIG
17 1FVT - 106
18 2BTS ic50 = 20 nM U32
19 3LE6 ic50 = 0.035 uM 2BZ
20 2VTI ic50 = 0.66 uM LZ3
21 3LFS Ki = 2.5 uM A07
22 1PXI - CK1
23 1URW ic50 < 0.003 uM I1P
24 1YKR ic50 = 0.56 uM 628
25 1PXN Ki ~ 0.32 uM CK6
26 1CKP - PVB
27 1KE6 ic50 = 5.7 nM LS2
28 2C6K ic50 = 0.73 uM DT2
29 2R3Q - 5SC
30 2R3J ic50 = 10 nM SCJ
31 3IG7 ic50 = 9 nM EFP
32 2VTS ic50 = 0.03 uM LZC
33 1P2A ic50 = 12 nM 5BN
34 2BHE ic50 = 1 uM BRY
35 3UNK ic50 = 15 uM 0BY
36 1OIT ic50 < 0.003 uM HDT
37 2VTQ ic50 = 0.14 uM LZA
38 3NS9 ic50 = 0.003 uM NS9
39 2C68 ic50 = 1.8 uM CT6
40 3TIZ - 3TI
41 3PXY ic50 = 5.9 uM JWS
42 1H01 ic50 = 22 uM FAL
43 2EXM - ZIP
44 2R3F ic50 = 500 nM SC8
45 2R3M ic50 = 10 nM SCX
46 1GII - 1PU
47 2R64 ic50 = 0.03 uM 740
48 2C6O - 4SP
49 1V1K Ki = 35 uM 3FP
50 2VTJ ic50 = 1.9 uM LZ4
51 2C6L ic50 = 0.27 uM DT4
52 2W06 - FRV
53 3EZV - EZV
54 4EZ7 - STU
55 3PXZ ic50 = 5.9 uM JWS
56 1W0X - OLO
57 2XMY Ki = 0.11 nM CDK
58 2UZO ic50 = 18 uM C62
59 2VTT ic50 = 0.044 uM LZD
60 1KE7 ic50 = 8.9 nM LS3
61 2VU3 ic50 = 0.047 uM LZE
62 2B54 - D05
63 1DM2 - HMD
64 1DI8 ic50 = 1 uM DTQ
65 1GZ8 - MBP
66 3PY0 ic50 = 0.13 uM SU9
67 2VTR ic50 = 1.5 uM LZB
68 1E1X Ki = 1.3 uM NW1
69 1GIJ - 2PU
70 3UNJ ic50 = 11 uM 0BX
71 2A0C - CK9
72 3TIY - TIY
73 2R3I ic50 = 1000 nM SCF
74 2R3P ic50 = 900 nM 3SC
75 1KE8 ic50 = 1000 nM LS4
76 2C6I ic50 = 11 uM DT1
77 1VYZ ic50 = 290 nM N5B
78 1PXP Ki ~ 0.22 uM CK8
79 2VTN ic50 = 0.85 uM LZ7
80 1AQ1 - STU
81 2UZN ic50 = 0.03 uM C96
82 2B55 ic50 = 96 nM D31
83 2C6M ic50 = 0.35 uM DT5
84 3PJ8 - 404
85 3LFQ - A28
86 2R3L ic50 = 100 nM SCW
87 2W05 ic50 = 0.001 uM FRT
88 1H08 - BYP BWP
89 2XNB Ki = 149 nM Y8L
90 1HCK - ATP
91 1B38 Kd = 0.254 uM ATP
92 2B52 ic50 = 8 nM D42
93 1PXL - CK4
94 2R3H ic50 = 20000 nM SCE
95 3LFN Ki = 3160 nM A27
96 3S2P ic50 = 0.068 uM PMU
97 2R3O ic50 = 600 nM 2SC
98 3IGG ic50 = 95 nM EFQ
99 1R78 ic50 = 3 nM FMD
100 2FVD Ki = 0.003 uM LIA
101 2VTL ic50 = 97 uM LZ5
102 3PY1 ic50 = 0.13 uM SU9
103 1KE9 ic50 = 660 nM LS5
104 2A4L ic50 = 0.4 uM RRC
105 1Y8Y ic50 = 2 uM CT7
106 1OIR ic50 = 0.032 uM HDY
107 1PXJ - CK2
108 2VTO ic50 = 0.14 uM LZ8
109 1PYE ic50 = 0.32 uM PM1
110 2BTR ic50 = 95 nM U73
111 2VTA ic50 = 185 uM LZ1
112 4EZ3 - 0S0
113 3EZR - EZR
114 2DS1 ic50 = 6.4 nM 1CD
115 1H07 ic50 = 3 uM MFP
116 2B53 ic50 = 0.6 uM D23
117 2DUV ic50 = 0.087 uM 371
118 2VTH ic50 = 120 uM LZ2
119 1KE5 ic50 = 560 nM LS1
120 3FZ1 - B98
121 1WCC ic50 = 350 uM CIG
122 4ACM Ki = 210 nM 7YG
123 2C5Y ic50 = 0.25 uM MTW
124 1PXO Ki = 2 nM CK7
125 1H00 ic50 = 38 uM FAP
126 2R3R - 6SC
127 2R3K ic50 = 100 nM SCQ
128 2V0D - C53
129 1B39 Kd = 0.12 uM ATP
130 2W1H ic50 = 0.052 uM L0F
131 1Y91 ic50 = 0.059 uM CT9
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
View in 3D viewer
Show:
Background:
Molecular Surface:
Left mouse click:
Jmol Command:
Jmol viewer:
- Jmol Mouse manual
- Jmol: an open-source Java viewer
for chemical structures in 3D.
- For Jmol Menu: Right click on the viewer.
- Note: Accept the security warning to view.