Receptor
PDB id Resolution Class Description Source Keywords
2xj2 2.2 Å EC: 2.7.11.1 PROTEIN KINASE PIM-1 IN COMPLEX WITH SMALL MOLECULE INHIBITOR HOMO SAPIENS TRANSFERASE PHOSPHORYLATION PROTEIN KINASE FOLD
Ref.: CRYSTALLOGRAPHIC FRAGMENT SCREEN IDENTIFIES CINNAMI DERIVATIVES AS STARTING POINTS FOR POTENT PIM-1 INH ACTA CRYSTALLOGR.,SECT.D V. 67 156 2011
Ligand Information
Ligand Validity Binding Data Ligand Warnings Chemaxon Viewer Molecular Weight (Da) Formula SMILES
985 Valid Kd = 66 nM none 338.404
C19 H22 N4 O2
C[N@]1CCCN(CC1)c2cncc(n2)c3cccc(c3)C=CC(=O)O
90% Homology Family

The Class containing this family consists of a total of 69 families.

Leader:    3VBQ     EXPLOITATION OF HYDROGEN BONDING CONSTRAINTS AND FLAT HYDROP ENERGY LANDSCAPES IN PIM-1 KINASE NEEDLE SCREENING AND INHID ESIGN
No: PDB id Binding Data Representative ligand
1 1XR1 - ANP
2 3VBT ic50 = 37 uM 0F9
3 2O63 Kd = 0.78 uM MYC
4 1YXX - LI7
5 3VC4 ic50 = 24 nM 0FS
6 2XIZ - XIZ
7 1YXU - AMP
8 1XWS - BI1
9 3R04 ic50 = 0.12 uM UNQ
10 1YI3 ic50 = 4 uM LY2
11 2XJ2 Kd = 66 nM 985
12 2C3I Kd = 25 nM IYZ
13 3VBW ic50 = 6 uM 0FN
14 1YI4 - ADN
15 3F2A ic50 = 57 nM 985
16 3R00 ic50 = 8.5 uM UNJ
17 3A99 - ANP
18 3C4E ic50 ~ 100 uM C4E
19 3MA3 ic50 = 60 nM 01I
20 2XIX - XIX
21 2J2I ic50 = 0.2 uM LY4
22 3VBX ic50 = 17 uM 0FO
23 3VBQ ic50 = 470 pM 0F5
24 2OI4 ic50 = 2.5 nM JM1
25 2OBJ ic50 = 0.05 uM VRV
26 2O3P ic50 = 1.1 uM QUE
27 3VBY ic50 = 28 uM 0FR
28 3BWF ic50 = 0.6 nM DWC
29 2XIY - XIY
30 4A7C ic50 = 0.006 uM E46
31 3BGQ Ki = 11 nM VX2
32 3R02 ic50 = 0.001 uM UNM
33 4DTK ic50 < 0.004 uM 7LI
34 2BIK - BI1
35 3VBV ic50 = 10 uM 0FK
36 3UIX ic50 = 0.151 uM Q17
37 1YXV - LI6
38 3UMW ic50 = 3 nM 596
39 1YHS ic50 = 0.01 uM STU
40 2XJ1 Kd = 28 nM XJ1
41 2O64 Kd = 0.34 uM MYU
42 4AS0 - RPS
More Information
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