Receptor
PDB id Resolution Class Description Source Keywords
1atp 2.2 Å EC: 2.7.11.11 2.2 ANGSTROM REFINED CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH M NATP AND A PEPTIDE INHIBITOR MUS MUSCULUS TRANSFERASE(PHOSPHOTRANSFERASE)
Ref.: 2.2 A REFINED CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH MNATP AND A PEPTIDE INHIBITOR. ACTA CRYSTALLOGR.,SECT.D V. 49 362 1993
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data Chemaxon Viewer Molecular Weight (Da) Formula SMILES
ATP E:355;
Valid;
none;
Kd = 60 nM 503.15 C10 H16 N5 O13 P3 [P+](...
MN E:351;
E:352;
Part of Protein;
Part of Protein;
none;
none;
submit data 54.938 Mn [Mn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GU8 2.2 Å EC: 2.7.11.11 DISCOVERY OF 2-PYRIMIDYL-5-AMIDOTHIOPHENES AS NOVEL AND POTENT INHIBITORS FOR AKT: SYNTHESIS AND SAR STUDIES HOMO SAPIENS CAMP-DEPENDENT PROTEIN KINASE PKA AKT KINASE DRUG DESIGN TERNARY COMPLEX SIGNALING PROTEIN TRANSFERASE/INHIBITOR COMPLEX
Ref.: DISCOVERY OF 2-PYRIMIDYL-5-AMIDOTHIOPHENES AS POTENT INHIBITORS FOR AKT: SYNTHESIS AND SAR STUDIES BIOORG.MED.CHEM.LETT. V. 16 4163 2006
Members (94)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4AXA - RKD C17 H17 Cl N3 O c1cc(ccc1c....
2 2F7E ic50 = 1.3 nM 2EA C25 H22 N4 O c1ccc2c(c1....
3 1XH8 ic50 = 1700 nM R55 C33 H39 N5 O4 CC1(CCN(CC....
4 3DNE - LL1 C12 H9 N3 c1ccc2c(c1....
5 4DG0 - ANP C10 H17 N6 O12 P3 [P+](O[P+]....
6 4C34 - STU C28 H26 N4 O3 O=C1NCc2c3....
7 2UW5 ic50 = 34 nM GVN C17 H16 Cl N3 c1cc(ccc1c....
8 2JDV - L20 C24 H23 N5 O O(c1c[nH0]....
9 2VNY - M02 C10 H14 N6 c1[nH]c2c(....
10 4IE9 - PZX C11 H11 N3 O2 Cc1cc(n[nH....
11 4IAC - ACP C11 H18 N5 O12 P3 [P+](O[P+]....
12 3FJQ - ATP C10 H16 N5 O13 P3 [P+](O[P+]....
13 2UZT ic50 = 14 nM SS3 C22 H22 N4 O Cc1c2cc(cc....
14 1JBP - OCT C8 H18 C(CCC)CC
15 2VO6 - M05 C18 H21 Cl N5 c1cc(ccc1C....
16 1ATP Kd = 60 nM ATP C10 H16 N5 O13 P3 [P+](O[P+]....
17 3OW3 ic50 = 742 nM SMY C22 H26 N6 O S C[C@H]1c2c....
18 3ZO3 - QNI C14 H20 N6 c1[nH]c2c(....
19 1YDR Ki = 3 uM IQP C14 H17 N3 O2 S C[C@H]1CNC....
20 2C1A ic50 = 0.17 uM I5S C20 H22 Cl N3 O3 S Clc1ccc(CO....
21 4C37 ic50 = 19.7 nM Z21 C10 H9 Br N6 O CCn1c2cc(n....
22 2UW0 - GVK C22 H20 Cl N5 c1cc(ccc1c....
23 4DFX - ANP C10 H17 N6 O12 P3 [P+](O[P+]....
24 3E8C - G96 C24 H27 N7 O3 o1[nH0]c(N....
25 1Q8U Kd = 1.1 uM H52 C16 H21 N3 O2 S Cc1cncc2c1....
26 3L9L ic50 = 167 nM L9L C21 H19 F3 N4 O S c1cc(ccc1C....
27 3MVJ ic50 = 3200 nM XFE C11 H15 N5 [nH]1c2[nH....
28 4HPU - ANP C10 H17 N6 O12 P3 [P+](O[P+]....
29 1YDT Ki = 48 nM IQB C20 H20 Br N3 O2 S c1cc2cnccc....
30 4C35 ic50 = 0.56 uM NU3 C14 H11 N3 O2 c1cc(c2c(c....
31 3L9M - L9M C20 H22 N6 S Cc1ccc(cc1....
32 3AMB Ki = 0.66 uM VX6 C23 H28 N8 O S Cc1cc([nH]....
33 3DND - LL2 C10 H10 N2 S c1ccc(cc1)....
34 4IAK - ADP C10 H15 N5 O10 P2 [P+](O[P+]....
35 2UW6 ic50 = 0.28 uM GVO C17 H16 Cl N3 c1cc(ccc1c....
36 1XH7 Kd = 150 nM R96 C33 H39 N5 O4 CC1(CCCN(C....
37 4C38 ic50 = 17.4 nM VUP C11 H12 N6 O CCn1c2cc(n....
38 3ZO4 ic50 = 149 nM QWI C20 H24 N6 c1ccc(cc1)....
39 2OJF ic50 = 15 nM 4PY C22 H20 N6 O c1c(cncc1O....
40 1XHA - R68 C33 H38 F N5 O4 CC1(CCCN[C....
41 4IAF - ADP C10 H15 N5 O10 P2 [P+](O[P+]....
42 2GNF Ki = 6 uM Y27 C14 H21 N3 O C[C@H](C1C....
43 2JDS ic50 = 27 nM L20 C24 H23 N5 O O(c1c[nH0]....
44 4IAD - ADP C10 H15 N5 O10 P2 [P+](O[P+]....
45 3E8E - G98 C24 H31 N7 O3 CCn1c2cc(n....
46 1SVG ic50 = 2 nM I04 C27 H27 F N4 O5 COc1ccc(c(....
47 2UW3 ic50 = 80 uM GVG C10 H10 N2 Cc1c(c[nH]....
48 3L9N - L9N C19 H20 N6 S Cc1ccc(cc1....
49 2UZW Kd = 5 nM SS4 C22 H21 Br N4 O Cc1c2cc(cc....
50 3ZO1 ic50 = 1 uM SIJ C14 H20 N6 c1[nH]c2c(....
51 4HPT - ANP C10 H17 N6 O12 P3 [P+](O[P+]....
52 2GNJ Ki = 6 uM Y27 C14 H21 N3 O C[C@H](C1C....
53 2VO0 - M03 C18 H20 Cl N5 c1cc(ccc1C....
54 2OH0 ic50 = 18 nM 2PY C23 H21 N5 O c1cc2c(cc1....
55 2F7X ic50 = 14 nM 4EA C23 H22 N4 O c1ccc2c(c1....
56 1L3R - AF3 Al F3 F[Al](F)F
57 2UVZ - GVJ C18 H15 N5 c1ccc(cc1)....
58 1XH5 Kd = 3400 nM R68 C33 H38 F N5 O4 CC1(CCCN[C....
59 3NX8 - IPH C6 H6 O Oc1ccccc1
60 2JDT - I5S C20 H22 Cl N3 O3 S Clc1ccc(CO....
61 2ERZ Ki = 2.2 uM HFS C14 H17 N3 O3 S c1cc2c(ccn....
62 2UW7 ic50 = 18 nM GVP C20 H20 Cl N3 Clc1ccc(C2....
63 1Q8W Kd = 5.7 uM M77 C14 H17 N3 O2 S c1cc2cnccc....
64 1STC Ki = 8 nM STU C28 H26 N4 O3 O=C1NCc2c3....
65 1XH6 Kd = 48 nM R94 C31 H35 N5 O4 c1cc(ccc1C....
66 2VNW - M01 C11 H16 N6 c1[nH]c2c(....
67 1FMO Ki = 2.3 nM ADN C10 H13 N5 O4 O1C([nH0]2....
68 2UZV ic50 > 3 uM SS5 C29 H34 N4 O2 Cc1c2cc(cc....
69 4IAZ - ADP C10 H15 N5 O10 P2 [P+](O[P+]....
70 2UVX - GVH C7 H6 N2 c1cc2cc[nH....
71 2QUR - ADP C10 H15 N5 O10 P2 [P+](O[P+]....
72 1RDQ - ATP C10 H16 N5 O13 P3 [P+](O[P+]....
73 1Q8T Kd = 17.5 uM Y27 C14 H21 N3 O C[C@H](C1C....
74 1XH9 Kd = 17 nM R69 C28 H31 N5 O4 CN(C)c1ccc....
75 4IAI - ADP C10 H15 N5 O10 P2 [P+](O[P+]....
76 2UW4 ic50 = 5.2 uM L15 C12 H15 N3 Cc1c(c[nH]....
77 2GNI Ki = 2280 nM M77 C14 H17 N3 O2 S c1cc2cnccc....
78 2GU8 ic50 = 0.1 nM 796 C19 H19 Cl2 N5 O S CNc1nccc(n....
79 2UVY - GVI C13 H13 N5 CNCc1ccc(c....
80 1CDK - MYR C14 H28 O2 O=C([O-])C....
81 2VO3 - M04 C19 H22 Cl N5 c1cc(ccc1C....
82 2C1B ic50 = 0.4 uM CQP C21 H22 Cl N3 O3 S c1cc2cnccc....
83 2UW8 ic50 = 77 uM GVQ C14 H14 Cl N c1ccc(cc1)....
84 3AMA Ki = 0.297 uM SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
85 3ZO2 ic50 = 80 nM 15I C14 H20 N6 c1[nH]c2c(....
86 1SVH ic50 = 360 nM I08 C28 H28 F N3 O4 COc1ccc(c(....
87 2GNH Ki = 149 nM H52 C16 H21 N3 O2 S Cc1cncc2c1....
88 1YDS Ki = 1.2 uM IQS C12 H15 N3 O2 S CNCCNS(=O)....
89 4IAY - ADP C10 H15 N5 O10 P2 [P+](O[P+]....
90 4C36 ic50 = 19.8 nM ZO9 C13 H13 N5 O c1ccc2c(c1....
91 1SVE ic50 = 5 nM I01 C27 H26 F N3 O6 COc1ccc(c(....
92 1XH4 Kd = 34 nM R69 C28 H31 N5 O4 CN(C)c1ccc....
93 2VO7 ic50 = 15 nM M05 C18 H21 Cl N5 c1cc(ccc1C....
94 2UZU ic50 = 0.16 nM L20 C24 H23 N5 O O(c1c[nH0]....