Receptor
PDB id Resolution Class Description Source Keywords
1uu8 2.5 Å EC: 2.7.11.1 STRUCTURE OF HUMAN PDK1 KINASE DOMAIN IN COMPLEX WITH BIM-1 HOMO SAPIENS PROTEIN KINASE PKB PDK1 INHIBITOR LY333531 BISINDOLYL MALEIMIDE BIM-1 DIABETES CANCER TRANSFERASE SERINE/THREONINE-PROTEIN KINASE
Ref.: INTERACTIONS OF LY333531 AND OTHER BISINDOLYL MALEIMIDE INHIBITORS WITH PDK1 STRUCTURE V. 12 215 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data Chemaxon Viewer Molecular Weight (Da) Formula SMILES
BI1 A:1368;
Valid;
none;
ic50 = 9 uM 412.484 C25 H24 N4 O2 CN(C)...
GOL A:1358;
A:1359;
A:1360;
A:1361;
A:1362;
A:1363;
A:1364;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data 92.094 C3 H8 O3 C(C(C...
SO4 A:1365;
A:1366;
A:1367;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data 96.063 O4 S [O-]S...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RWP 1.92 Å EC: 2.7.11.1 DISCOVERY OF A NOVEL, POTENT AND SELECTIVE INHIBITOR OF 3- PHOSPHOINOSITIDE DEPENDENT KINASE (PDK1) HOMO SAPIENS KINASE DOMAIN TRANSFERASE PHOSPHOSERINE: SEP TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF NOVEL, POTENT, AND SELECTIVE INHIBITOR 3-PHOSPHOINOSITIDE-DEPENDENT KINASE (PDK1). J.MED.CHEM. V. 54 8490 2011
Members (35)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 79 families.
1 3QD3 ic50 = 1e-08 M 3Q5 C22 H30 N8 O2 C[C@H]1CC[....
2 2BIY - ATP C10 H16 N5 O13 P3 [P+](O[P+]....
3 1UU9 ic50 = 3.8 uM BI3 C23 H20 N4 O2 c1ccc2c(c1....
4 1OKY ic50 = 6.5 nM STU C28 H26 N4 O3 O=C1NCc2c3....
5 3IOP ic50 = 17 nM 8I1 C28 H27 N5 O3 COc1cc2c3c....
6 2PE1 ic50 = 6 nM 517 C15 H14 N4 O2 CC(c1ccc[n....
7 3RWP Ki = 0.6 nM ABQ C24 H24 F N7 O2 CC(C)n1cc(....
8 3NAX - MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
9 3QCQ ic50 = 1e-08 M 3Q0 C13 H15 N7 CCNc1cc(nc....
10 4A06 - ATP C10 H16 N5 O13 P3 [P+](O[P+]....
11 2XCK ic50 = 713 nM MH4 C29 H33 N9 O Cc1cc(ccn1....
12 3QD4 ic50 = 1e-08 M 3Q6 C22 H30 N8 O2 C[C@@H]1C[....
13 1Z5M ic50 = 30 nM LI8 C23 H31 Br N8 O3 CC(C)(C(=O....
14 3RCJ ic50 = 0.8 uM 3RC C16 H13 N5 c1ccc(cc1)....
15 2PE0 - 39Z C14 H12 N2 O2 CC(c1ccc[n....
16 3QD0 ic50 = 1e-08 M 3Q4 C24 H26 N8 O C[C@@H]1CC....
17 3ORZ - BI4 C27 H26 N4 O2 C[N@]1CCC[....
18 3HRC - ATP C10 H16 N5 O13 P3 [P+](O[P+]....
19 3ION ic50 = 8 nM 8H1 C28 H27 N5 O3 COc1cc2c3c....
20 2XCH ic50 = 374 nM CKG C22 H25 N7 O c1c2c(nc(n....
21 4AW0 - MJF C18 H15 Cl O5 c1ccc(cc1)....
22 1UU7 ic50 = 14 uM BI2 C27 H26 N4 O2 C[N@@]1CCC....
23 3OTU - BI4 C27 H26 N4 O2 C[N@]1CCC[....
24 3HRF Kd = 10.3 uM P47 C17 H15 Cl O2 c1ccc(cc1)....
25 3QCS ic50 = 1e-08 M 3Q1 C15 H17 N7 O c1cc2c(cc1....
26 3QCX ic50 = 1e-08 M 3Q2 C16 H19 N7 O C[C@@H]1CO....
27 1UU3 ic50 = 0.75 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
28 1H1W - ATP C10 H16 N5 O13 P3 [P+](O[P+]....
29 3QC4 ic50 = 0.002 uM MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
30 4AW1 - ATP C10 H16 N5 O13 P3 [P+](O[P+]....
31 3QCY ic50 = 1e-08 M 3Q3 C22 H22 N8 O2 c1ccc(cc1)....
32 1UU8 ic50 = 9 uM BI1 C25 H24 N4 O2 CN(C)CCCn1....
33 2PE2 - 464 C28 H30 N6 O3 c1cc(cc(c1....
34 3H9O ic50 = 70 nM 9BD C19 H19 N5 O3 COCCOc1cc2....
35 4A07 - AZ7 C17 H13 Cl3 N2 O2 c1cc(ccc1[....