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
Ligand Chain:Residue Validity Ligand Warnings Binding Data Chemaxon Viewer Molecular Weight (Da) Formula SMILES
985 A:1001;
Valid;
none;
Kd = 66 nM 338.404 C19 H22 N4 O2 C[N@]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4K1B 2.08 Å EC: 2.7.11.1 STRUCTURE OF PIM-1 KINASE BOUND TO N-(5-(2-FLUOROPHENYL)-1H- 3-B]PYRIDIN-3-YL)-5-((((3R,4R)-3-FLUOROPIPERIDIN-4-YL)METHYP YRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE -
Ref.: DISCOVERY OF NOVEL PYRAZOLO[1,5-A]PYRIMIDINES AS PO PAN-PIM INHIBITORS BY STRUCTURE- AND PROPERTY-BASED DESIGN. BIOORG.MED.CHEM.LETT. V. 23 3149 2013
Members (50)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 79 families.
1 4ALW ic50 = 27 nM HY7 C16 H17 Br N4 O2 CN1CCN(CC1....
2 1XR1 - ANP C10 H17 N6 O12 P3 [P+](O[P+]....
3 3BGZ Ki = 0.55 uM VX3 C21 H15 N O2 c1ccc(cc1)....
4 4MBI - 26K C13 H17 N7 CN(C)CCNc1....
5 3VBT ic50 = 37 uM 0F9 C9 H7 Cl N2 O c1cc(c(cc1....
6 2O63 Kd = 0.78 uM MYC C15 H10 O8 c1c(cc(c(c....
7 1YXX - LI7 C14 H10 N2 O2 c1ccc2c(c1....
8 3VC4 ic50 = 24 nM 0FS C11 H6 F3 N O2 S c1cc(cc(c1....
9 4K1B Ki = 0.003 nM 1OC C26 H24 F2 N8 O c1ccc(c(c1....
10 2XIZ - XIZ C8 H7 N O2 c1cnccc1C=....
11 1YXU - AMP C10 H14 N5 O7 P [P+](OCC1O....
12 1XWS - BI1 C25 H24 N4 O2 CN(C)CCCn1....
13 3R04 ic50 = 0.12 uM UNQ C19 H20 N4 O3 c1cc2c(cc1....
14 1YI3 ic50 = 4 uM LY2 C19 H17 N O3 c1ccc(cc1)....
15 2XJ2 Kd = 66 nM 985 C19 H22 N4 O2 C[N@]1CCCN....
16 2C3I Kd = 25 nM IYZ C18 H18 N4 O O=C(c1cc(-....
17 3VBW ic50 = 6 uM 0FN C10 H5 N O2 c1ccc2c(c1....
18 1YI4 - ADN C10 H13 N5 O4 O1C([nH0]2....
19 3F2A ic50 = 57 nM 985 C19 H22 N4 O2 C[N@]1CCCN....
20 3R00 ic50 = 8.5 uM UNJ C9 H5 Br O3 c1cc2c(cc1....
21 3A99 - ANP C10 H17 N6 O12 P3 [P+](O[P+]....
22 3C4E ic50 ~ 100 uM C4E C13 H11 N3 c1ccc(cc1)....
23 3MA3 ic50 = 60 nM 01I C16 H8 O6 o1c2c(c3c(....
24 2XIX - XIX C2 H5 N5 c1([nH]nc(....
25 2J2I ic50 = 0.2 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
26 3VBX ic50 = 17 uM 0FO C9 H5 Br O3 c1cc2c(cc1....
27 3VBQ ic50 = 470 pM 0F5 C20 H23 N5 O2 S c1cc(cc(c1....
28 2OI4 ic50 = 2.5 nM JM1 C23 H12 F N3 O3 Ru c1ccc2c(c1....
29 2OBJ ic50 = 0.05 uM VRV C18 H11 Br N2 O2 c1ccc(cc1)....
30 2O3P ic50 = 1.1 uM QUE C15 H10 O7 c1cc(c(cc1....
31 3VBY ic50 = 28 uM 0FR C13 H9 N O2 c1ccc2c(c1....
32 3BWF ic50 = 0.6 nM DWC C23 H9 N3 O4 Os c1cc2c3c(c....
33 2XIY - XIY C8 H8 N2 O c1ccc2c(c1....
34 4BZO ic50 = 0.013 uM 676 C22 H22 F N5 O2 c1ccc(cc1)....
35 4A7C ic50 = 0.006 uM E46 C18 H19 F3 N6 O c1cc(cc(c1....
36 3BGQ Ki = 11 nM VX2 C18 H18 F3 N5 c1cc(cc(c1....
37 3R02 ic50 = 0.001 uM UNM C15 H17 Br N2 O3 c1c2cc(oc2....
38 4K18 Ki = 1.1 nM 1OB C21 H14 F N5 O2 c1cc(ccc1C....
39 4K0Y Ki = 15 nM 1OA C18 H18 F N5 O2 c1cc(ccc1N....
40 4DTK ic50 < 0.004 uM 7LI C18 H23 N3 O3 S CC(C)Oc1cc....
41 2BIK - BI1 C25 H24 N4 O2 CN(C)CCCn1....
42 4BZN ic50 = 1.441 uM UGX C18 H23 N3 O2 S CC(C)(C)CN....
43 3VBV ic50 = 10 uM 0FK C10 H8 N2 O2 c1cc2ccc(n....
44 3UIX ic50 = 0.151 uM Q17 C17 H18 N4 O c1ccc2c(c1....
45 1YXV - LI6 C10 H9 N O3 CN1c2ccccc....
46 3UMW ic50 = 3 nM 596 C22 H22 N4 O3 COc1ccc2c(....
47 1YHS ic50 = 0.01 uM STU C28 H26 N4 O3 O=C1NCc2c3....
48 2XJ1 Kd = 28 nM XJ1 C19 H22 N4 O2 c1cc(cc(c1....
49 2O64 Kd = 0.34 uM MYU C15 H10 O8 c1cc(c(cc1....
50 4AS0 - RPS C20 H19 N2 O3 Ru S3 c1c2c(cc3c....