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 NGL Viewer Molecular Weight (Da) Formula SMILES
ATP E:355;
Valid;
none;
Kd = 60 nM
507.181 C10 H16 N5 O13 P3 c1nc(...
MN E:351;
E:352;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
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 (98)
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 c1nc(c2c(n....
6 4C34 - STU C28 H26 N4 O3 C[C@@]12[C....
7 2UW5 ic50 = 34 nM GVN C17 H16 Cl N3 c1cc(ccc1c....
8 2JDV - L20 C24 H23 N5 O Cc1c2cc(cc....
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 c1nc(c2c(n....
12 3FJQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 2UZT ic50 = 14 nM SS3 C22 H22 N4 O Cc1c2cc(cc....
14 1JBP - OCT C8 H18 CCCCCCCC
15 2VO6 - M05 C18 H21 Cl N5 c1cc(ccc1C....
16 1ATP Kd = 60 nM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 3OW3 ic50 = 742 nM SMY C22 H26 N6 O S C[C@H]1c2c....
18 4IB3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
19 3ZO3 - QNI C14 H20 N6 c1[nH]c2c(....
20 1YDR Ki = 3 uM IQP C14 H17 N3 O2 S C[C@H]1CNC....
21 2C1A ic50 = 0.17 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
22 4C37 ic50 = 19.7 nM Z21 C10 H9 Br N6 O CCn1c2cc(n....
23 2UW0 - GVK C22 H20 Cl N5 c1cc(ccc1c....
24 4DFX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
25 3E8C - G96 C24 H27 N7 O3 CCn1c2cc(n....
26 1Q8U Kd = 1.1 uM H52 C16 H21 N3 O2 S Cc1cncc2c1....
27 3L9L ic50 = 167 nM L9L C21 H19 F3 N4 O S c1cc(ccc1C....
28 3MVJ ic50 = 3200 nM XFE C11 H15 N5 Cc1c[nH]c2....
29 4HPU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
30 1YDT Ki = 48 nM IQB C20 H20 Br N3 O2 S c1cc2cnccc....
31 4C35 ic50 = 0.56 uM NU3 C14 H11 N3 O2 c1cc(c2c(c....
32 3L9M - L9M C20 H22 N6 S Cc1ccc(cc1....
33 3AMB Ki = 0.66 uM VX6 C23 H28 N8 O S Cc1cc([nH]....
34 3DND - LL2 C10 H10 N2 S c1ccc(cc1)....
35 4IAK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 2UW6 ic50 = 0.28 uM GVO C17 H16 Cl N3 c1cc(ccc1c....
37 1XH7 Kd = 150 nM R96 C33 H39 N5 O4 CC1(CCCN(C....
38 4C38 ic50 = 17.4 nM VUP C11 H12 N6 O CCn1c2cc(n....
39 3ZO4 ic50 = 149 nM QWI C20 H24 N6 c1ccc(cc1)....
40 2OJF ic50 = 15 nM 4PY C22 H20 N6 O c1c(cncc1O....
41 1XHA - R68 C33 H38 F N5 O4 CC1(CCCN[C....
42 4IAF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
43 2GNF Ki = 6 uM Y27 C14 H21 N3 O C[C@H](C1C....
44 2JDS ic50 = 27 nM L20 C24 H23 N5 O Cc1c2cc(cc....
45 4IAD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
46 3E8E - G98 C24 H29 N7 O3 CCn1c2cc(n....
47 1SVG ic50 = 2 nM I04 C27 H27 F N4 O5 COc1ccc(c(....
48 2UW3 ic50 = 80 uM GVG C10 H10 N2 Cc1c(c[nH]....
49 3L9N - L9N C19 H20 N6 S Cc1ccc(cc1....
50 2UZW Kd = 5 nM SS4 C22 H21 Br N4 O Cc1c2cc(cc....
51 3ZO1 ic50 = 1 uM SIJ C14 H20 N6 c1[nH]c2c(....
52 4HPT - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
53 2GNJ Ki = 6 uM Y27 C14 H21 N3 O C[C@H](C1C....
54 2VO0 - M03 C18 H20 Cl N5 c1cc(ccc1C....
55 2OH0 ic50 = 18 nM 2PY C23 H21 N5 O c1cc2c(cc1....
56 2F7X ic50 = 14 nM 4EA C23 H22 N4 O c1ccc2c(c1....
57 1L3R - AF3 Al F3 F[Al](F)F
58 4O21 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
59 2UVZ - GVJ C18 H15 N5 c1ccc(cc1)....
60 1XH5 Kd = 3400 nM R68 C33 H38 F N5 O4 CC1(CCCN[C....
61 3NX8 - IPH C6 H6 O c1ccc(cc1)....
62 2JDT - I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
63 2ERZ Ki = 2.2 uM HFS C14 H17 N3 O3 S c1cc2c(ccn....
64 2UW7 ic50 = 18 nM GVP C20 H20 Cl N3 c1cc(ccc1c....
65 1Q8W Kd = 5.7 uM M77 C14 H17 N3 O2 S c1cc2cnccc....
66 1STC Ki = 8 nM STU C28 H26 N4 O3 C[C@@]12[C....
67 1XH6 Kd = 48 nM R94 C31 H35 N5 O4 c1cc(ccc1C....
68 2VNW - M01 C11 H16 N6 c1[nH]c2c(....
69 1FMO Ki = 2.3 nM ADN C10 H13 N5 O4 c1nc(c2c(n....
70 2UZV ic50 > 3 uM SS5 C29 H34 N4 O2 Cc1c2cc(cc....
71 4IAZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
72 4IB1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
73 2UVX - GVH C7 H6 N2 c1cc2cc[nH....
74 2QUR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
75 1RDQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
76 1Q8T Kd = 17.5 uM Y27 C14 H21 N3 O C[C@H](C1C....
77 1XH9 Kd = 17 nM R69 C28 H31 N5 O4 CN(C)c1ccc....
78 4IAI - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
79 2UW4 ic50 = 5.2 uM L15 C12 H15 N3 Cc1c(c[nH]....
80 2GNI Ki = 2280 nM M77 C14 H17 N3 O2 S c1cc2cnccc....
81 2GU8 ic50 = 0.1 nM 796 C19 H19 Cl2 N5 O S CNc1nccc(n....
82 2UVY - GVI C13 H13 N5 CNCc1ccc(c....
83 1CDK - MYR C14 H28 O2 CCCCCCCCCC....
84 2VO3 - M04 C19 H22 Cl N5 c1cc(ccc1C....
85 2C1B ic50 = 0.4 uM CQP C21 H22 Cl N3 O3 S c1cc2cnccc....
86 2UW8 ic50 = 77 uM GVQ C14 H14 Cl N c1ccc(cc1)....
87 3AMA Ki = 0.297 uM SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
88 3ZO2 ic50 = 80 nM 15I C14 H20 N6 c1[nH]c2c(....
89 1SVH ic50 = 360 nM I08 C28 H28 F N3 O4 COc1ccc(c(....
90 2GNH Ki = 149 nM H52 C16 H21 N3 O2 S Cc1cncc2c1....
91 4IB0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
92 1YDS Ki = 1.2 uM IQS C12 H15 N3 O2 S CNCCNS(=O)....
93 4IAY - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
94 4C36 ic50 = 19.8 nM ZO9 C13 H13 N5 O c1ccc2c(c1....
95 1SVE ic50 = 5 nM I01 C27 H26 F N3 O6 COc1ccc(c(....
96 1XH4 Kd = 34 nM R69 C28 H31 N5 O4 CN(C)c1ccc....
97 2VO7 ic50 = 15 nM M05 C18 H21 Cl N5 c1cc(ccc1C....
98 2UZU ic50 = 0.16 nM L20 C24 H23 N5 O Cc1c2cc(cc....
70% Homology Family (98)
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 c1nc(c2c(n....
6 4C34 - STU C28 H26 N4 O3 C[C@@]12[C....
7 2UW5 ic50 = 34 nM GVN C17 H16 Cl N3 c1cc(ccc1c....
8 2JDV - L20 C24 H23 N5 O Cc1c2cc(cc....
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 c1nc(c2c(n....
12 3FJQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 2UZT ic50 = 14 nM SS3 C22 H22 N4 O Cc1c2cc(cc....
14 1JBP - OCT C8 H18 CCCCCCCC
15 2VO6 - M05 C18 H21 Cl N5 c1cc(ccc1C....
16 1ATP Kd = 60 nM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 3OW3 ic50 = 742 nM SMY C22 H26 N6 O S C[C@H]1c2c....
18 4IB3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
19 3ZO3 - QNI C14 H20 N6 c1[nH]c2c(....
20 1YDR Ki = 3 uM IQP C14 H17 N3 O2 S C[C@H]1CNC....
21 2C1A ic50 = 0.17 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
22 4C37 ic50 = 19.7 nM Z21 C10 H9 Br N6 O CCn1c2cc(n....
23 2UW0 - GVK C22 H20 Cl N5 c1cc(ccc1c....
24 4DFX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
25 3E8C - G96 C24 H27 N7 O3 CCn1c2cc(n....
26 1Q8U Kd = 1.1 uM H52 C16 H21 N3 O2 S Cc1cncc2c1....
27 3L9L ic50 = 167 nM L9L C21 H19 F3 N4 O S c1cc(ccc1C....
28 3MVJ ic50 = 3200 nM XFE C11 H15 N5 Cc1c[nH]c2....
29 4HPU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
30 1YDT Ki = 48 nM IQB C20 H20 Br N3 O2 S c1cc2cnccc....
31 4C35 ic50 = 0.56 uM NU3 C14 H11 N3 O2 c1cc(c2c(c....
32 3L9M - L9M C20 H22 N6 S Cc1ccc(cc1....
33 3AMB Ki = 0.66 uM VX6 C23 H28 N8 O S Cc1cc([nH]....
34 3DND - LL2 C10 H10 N2 S c1ccc(cc1)....
35 4IAK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 2UW6 ic50 = 0.28 uM GVO C17 H16 Cl N3 c1cc(ccc1c....
37 1XH7 Kd = 150 nM R96 C33 H39 N5 O4 CC1(CCCN(C....
38 4C38 ic50 = 17.4 nM VUP C11 H12 N6 O CCn1c2cc(n....
39 3ZO4 ic50 = 149 nM QWI C20 H24 N6 c1ccc(cc1)....
40 2OJF ic50 = 15 nM 4PY C22 H20 N6 O c1c(cncc1O....
41 1XHA - R68 C33 H38 F N5 O4 CC1(CCCN[C....
42 4IAF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
43 2GNF Ki = 6 uM Y27 C14 H21 N3 O C[C@H](C1C....
44 2JDS ic50 = 27 nM L20 C24 H23 N5 O Cc1c2cc(cc....
45 4IAD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
46 3E8E - G98 C24 H29 N7 O3 CCn1c2cc(n....
47 1SVG ic50 = 2 nM I04 C27 H27 F N4 O5 COc1ccc(c(....
48 2UW3 ic50 = 80 uM GVG C10 H10 N2 Cc1c(c[nH]....
49 3L9N - L9N C19 H20 N6 S Cc1ccc(cc1....
50 2UZW Kd = 5 nM SS4 C22 H21 Br N4 O Cc1c2cc(cc....
51 3ZO1 ic50 = 1 uM SIJ C14 H20 N6 c1[nH]c2c(....
52 4HPT - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
53 2GNJ Ki = 6 uM Y27 C14 H21 N3 O C[C@H](C1C....
54 2VO0 - M03 C18 H20 Cl N5 c1cc(ccc1C....
55 2OH0 ic50 = 18 nM 2PY C23 H21 N5 O c1cc2c(cc1....
56 2F7X ic50 = 14 nM 4EA C23 H22 N4 O c1ccc2c(c1....
57 1L3R - AF3 Al F3 F[Al](F)F
58 4O21 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
59 2UVZ - GVJ C18 H15 N5 c1ccc(cc1)....
60 1XH5 Kd = 3400 nM R68 C33 H38 F N5 O4 CC1(CCCN[C....
61 3NX8 - IPH C6 H6 O c1ccc(cc1)....
62 2JDT - I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
63 2ERZ Ki = 2.2 uM HFS C14 H17 N3 O3 S c1cc2c(ccn....
64 2UW7 ic50 = 18 nM GVP C20 H20 Cl N3 c1cc(ccc1c....
65 1Q8W Kd = 5.7 uM M77 C14 H17 N3 O2 S c1cc2cnccc....
66 1STC Ki = 8 nM STU C28 H26 N4 O3 C[C@@]12[C....
67 1XH6 Kd = 48 nM R94 C31 H35 N5 O4 c1cc(ccc1C....
68 2VNW - M01 C11 H16 N6 c1[nH]c2c(....
69 1FMO Ki = 2.3 nM ADN C10 H13 N5 O4 c1nc(c2c(n....
70 2UZV ic50 > 3 uM SS5 C29 H34 N4 O2 Cc1c2cc(cc....
71 4IAZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
72 4IB1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
73 2UVX - GVH C7 H6 N2 c1cc2cc[nH....
74 2QUR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
75 1RDQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
76 1Q8T Kd = 17.5 uM Y27 C14 H21 N3 O C[C@H](C1C....
77 1XH9 Kd = 17 nM R69 C28 H31 N5 O4 CN(C)c1ccc....
78 4IAI - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
79 2UW4 ic50 = 5.2 uM L15 C12 H15 N3 Cc1c(c[nH]....
80 2GNI Ki = 2280 nM M77 C14 H17 N3 O2 S c1cc2cnccc....
81 2GU8 ic50 = 0.1 nM 796 C19 H19 Cl2 N5 O S CNc1nccc(n....
82 2UVY - GVI C13 H13 N5 CNCc1ccc(c....
83 1CDK - MYR C14 H28 O2 CCCCCCCCCC....
84 2VO3 - M04 C19 H22 Cl N5 c1cc(ccc1C....
85 2C1B ic50 = 0.4 uM CQP C21 H22 Cl N3 O3 S c1cc2cnccc....
86 2UW8 ic50 = 77 uM GVQ C14 H14 Cl N c1ccc(cc1)....
87 3AMA Ki = 0.297 uM SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
88 3ZO2 ic50 = 80 nM 15I C14 H20 N6 c1[nH]c2c(....
89 1SVH ic50 = 360 nM I08 C28 H28 F N3 O4 COc1ccc(c(....
90 2GNH Ki = 149 nM H52 C16 H21 N3 O2 S Cc1cncc2c1....
91 4IB0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
92 1YDS Ki = 1.2 uM IQS C12 H15 N3 O2 S CNCCNS(=O)....
93 4IAY - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
94 4C36 ic50 = 19.8 nM ZO9 C13 H13 N5 O c1ccc2c(c1....
95 1SVE ic50 = 5 nM I01 C27 H26 F N3 O6 COc1ccc(c(....
96 1XH4 Kd = 34 nM R69 C28 H31 N5 O4 CN(C)c1ccc....
97 2VO7 ic50 = 15 nM M05 C18 H21 Cl N5 c1cc(ccc1C....
98 2UZU ic50 = 0.16 nM L20 C24 H23 N5 O Cc1c2cc(cc....
50% Homology Family (98)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 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 c1nc(c2c(n....
6 4C34 - STU C28 H26 N4 O3 C[C@@]12[C....
7 2UW5 ic50 = 34 nM GVN C17 H16 Cl N3 c1cc(ccc1c....
8 2JDV - L20 C24 H23 N5 O Cc1c2cc(cc....
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 c1nc(c2c(n....
12 3FJQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 2UZT ic50 = 14 nM SS3 C22 H22 N4 O Cc1c2cc(cc....
14 1JBP - OCT C8 H18 CCCCCCCC
15 2VO6 - M05 C18 H21 Cl N5 c1cc(ccc1C....
16 1ATP Kd = 60 nM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 3OW3 ic50 = 742 nM SMY C22 H26 N6 O S C[C@H]1c2c....
18 4IB3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
19 3ZO3 - QNI C14 H20 N6 c1[nH]c2c(....
20 1YDR Ki = 3 uM IQP C14 H17 N3 O2 S C[C@H]1CNC....
21 2C1A ic50 = 0.17 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
22 4C37 ic50 = 19.7 nM Z21 C10 H9 Br N6 O CCn1c2cc(n....
23 2UW0 - GVK C22 H20 Cl N5 c1cc(ccc1c....
24 4DFX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
25 3E8C - G96 C24 H27 N7 O3 CCn1c2cc(n....
26 1Q8U Kd = 1.1 uM H52 C16 H21 N3 O2 S Cc1cncc2c1....
27 3L9L ic50 = 167 nM L9L C21 H19 F3 N4 O S c1cc(ccc1C....
28 3MVJ ic50 = 3200 nM XFE C11 H15 N5 Cc1c[nH]c2....
29 4HPU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
30 1YDT Ki = 48 nM IQB C20 H20 Br N3 O2 S c1cc2cnccc....
31 4C35 ic50 = 0.56 uM NU3 C14 H11 N3 O2 c1cc(c2c(c....
32 3L9M - L9M C20 H22 N6 S Cc1ccc(cc1....
33 3AMB Ki = 0.66 uM VX6 C23 H28 N8 O S Cc1cc([nH]....
34 3DND - LL2 C10 H10 N2 S c1ccc(cc1)....
35 4IAK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 2UW6 ic50 = 0.28 uM GVO C17 H16 Cl N3 c1cc(ccc1c....
37 1XH7 Kd = 150 nM R96 C33 H39 N5 O4 CC1(CCCN(C....
38 4C38 ic50 = 17.4 nM VUP C11 H12 N6 O CCn1c2cc(n....
39 3ZO4 ic50 = 149 nM QWI C20 H24 N6 c1ccc(cc1)....
40 2OJF ic50 = 15 nM 4PY C22 H20 N6 O c1c(cncc1O....
41 1XHA - R68 C33 H38 F N5 O4 CC1(CCCN[C....
42 4IAF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
43 2GNF Ki = 6 uM Y27 C14 H21 N3 O C[C@H](C1C....
44 2JDS ic50 = 27 nM L20 C24 H23 N5 O Cc1c2cc(cc....
45 4IAD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
46 3E8E - G98 C24 H29 N7 O3 CCn1c2cc(n....
47 1SVG ic50 = 2 nM I04 C27 H27 F N4 O5 COc1ccc(c(....
48 2UW3 ic50 = 80 uM GVG C10 H10 N2 Cc1c(c[nH]....
49 3L9N - L9N C19 H20 N6 S Cc1ccc(cc1....
50 2UZW Kd = 5 nM SS4 C22 H21 Br N4 O Cc1c2cc(cc....
51 3ZO1 ic50 = 1 uM SIJ C14 H20 N6 c1[nH]c2c(....
52 4HPT - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
53 2GNJ Ki = 6 uM Y27 C14 H21 N3 O C[C@H](C1C....
54 2VO0 - M03 C18 H20 Cl N5 c1cc(ccc1C....
55 2OH0 ic50 = 18 nM 2PY C23 H21 N5 O c1cc2c(cc1....
56 2F7X ic50 = 14 nM 4EA C23 H22 N4 O c1ccc2c(c1....
57 1L3R - AF3 Al F3 F[Al](F)F
58 4O21 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
59 2UVZ - GVJ C18 H15 N5 c1ccc(cc1)....
60 1XH5 Kd = 3400 nM R68 C33 H38 F N5 O4 CC1(CCCN[C....
61 3NX8 - IPH C6 H6 O c1ccc(cc1)....
62 2JDT - I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
63 2ERZ Ki = 2.2 uM HFS C14 H17 N3 O3 S c1cc2c(ccn....
64 2UW7 ic50 = 18 nM GVP C20 H20 Cl N3 c1cc(ccc1c....
65 1Q8W Kd = 5.7 uM M77 C14 H17 N3 O2 S c1cc2cnccc....
66 1STC Ki = 8 nM STU C28 H26 N4 O3 C[C@@]12[C....
67 1XH6 Kd = 48 nM R94 C31 H35 N5 O4 c1cc(ccc1C....
68 2VNW - M01 C11 H16 N6 c1[nH]c2c(....
69 1FMO Ki = 2.3 nM ADN C10 H13 N5 O4 c1nc(c2c(n....
70 2UZV ic50 > 3 uM SS5 C29 H34 N4 O2 Cc1c2cc(cc....
71 4IAZ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
72 4IB1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
73 2UVX - GVH C7 H6 N2 c1cc2cc[nH....
74 2QUR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
75 1RDQ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
76 1Q8T Kd = 17.5 uM Y27 C14 H21 N3 O C[C@H](C1C....
77 1XH9 Kd = 17 nM R69 C28 H31 N5 O4 CN(C)c1ccc....
78 4IAI - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
79 2UW4 ic50 = 5.2 uM L15 C12 H15 N3 Cc1c(c[nH]....
80 2GNI Ki = 2280 nM M77 C14 H17 N3 O2 S c1cc2cnccc....
81 2GU8 ic50 = 0.1 nM 796 C19 H19 Cl2 N5 O S CNc1nccc(n....
82 2UVY - GVI C13 H13 N5 CNCc1ccc(c....
83 1CDK - MYR C14 H28 O2 CCCCCCCCCC....
84 2VO3 - M04 C19 H22 Cl N5 c1cc(ccc1C....
85 2C1B ic50 = 0.4 uM CQP C21 H22 Cl N3 O3 S c1cc2cnccc....
86 2UW8 ic50 = 77 uM GVQ C14 H14 Cl N c1ccc(cc1)....
87 3AMA Ki = 0.297 uM SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
88 3ZO2 ic50 = 80 nM 15I C14 H20 N6 c1[nH]c2c(....
89 1SVH ic50 = 360 nM I08 C28 H28 F N3 O4 COc1ccc(c(....
90 2GNH Ki = 149 nM H52 C16 H21 N3 O2 S Cc1cncc2c1....
91 4IB0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
92 1YDS Ki = 1.2 uM IQS C12 H15 N3 O2 S CNCCNS(=O)....
93 4IAY - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
94 4C36 ic50 = 19.8 nM ZO9 C13 H13 N5 O c1ccc2c(c1....
95 1SVE ic50 = 5 nM I01 C27 H26 F N3 O6 COc1ccc(c(....
96 1XH4 Kd = 34 nM R69 C28 H31 N5 O4 CN(C)c1ccc....
97 2VO7 ic50 = 15 nM M05 C18 H21 Cl N5 c1cc(ccc1C....
98 2UZU ic50 = 0.16 nM L20 C24 H23 N5 O Cc1c2cc(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 351
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 AQP 0.985507 1
3 5FA 0.985507 1
4 B4P 0.927536 0.971831
5 AP5 0.927536 0.971831
6 BA3 0.913043 0.971831
7 ADP 0.9 1
8 A2D 0.884058 0.971831
9 AGS 0.84 0.945946
10 SAP 0.84 0.945946
11 25L 0.809524 0.985915
12 APR 0.802632 0.971831
13 AR6 0.802632 0.971831
14 M33 0.8 0.958333
15 TAT 0.794872 0.958904
16 ACQ 0.794872 0.972222
17 AD9 0.792208 0.972222
18 ACP 0.789474 0.972222
19 A 0.788732 0.971429
20 AMP 0.788732 0.971429
21 ANP 0.772152 0.972222
22 ADX 0.753247 0.873418
23 CA0 0.753247 0.945205
24 A22 0.746988 0.985915
25 50T 0.74359 0.958333
26 PRX 0.734177 0.893333
27 APC 0.734177 0.958904
28 ABM 0.733333 0.917808
29 ATF 0.731707 0.958904
30 ITT 0.730769 0.943662
31 ADQ 0.729412 0.945205
32 AMP MG 0.72 0.891892
33 A12 0.714286 0.958904
34 AP2 0.714286 0.958904
35 A1R 0.709302 0.907895
36 SRA 0.706667 0.918919
37 5AL 0.698795 0.931507
38 OAD 0.693182 0.945205
39 ADP MG 0.6875 0.905405
40 AU1 0.6875 0.972222
41 SRP 0.682353 0.906667
42 G5P 0.680851 0.921053
43 ADP BEF 0.679012 0.881579
44 BEF ADP 0.679012 0.881579
45 25A 0.678161 0.971831
46 3OD 0.677778 0.945205
47 4AD 0.670455 0.92
48 G3A 0.670213 0.921053
49 00A 0.662921 0.883117
50 RBY 0.662651 0.932432
51 ADV 0.662651 0.932432
52 ADP PO3 0.662651 0.943662
53 BIS 0.659341 0.933333
54 GTA 0.65625 0.886076
55 ATP MG 0.654762 0.905405
56 UP5 0.653061 0.92
57 AMO 0.651685 0.932432
58 PAJ 0.651685 0.884615
59 2A5 0.650602 0.918919
60 MAP 0.647727 0.945946
61 3AT 0.647059 0.971831
62 AHX 0.644444 0.896104
63 DLL 0.644444 0.931507
64 PAP 0.642857 0.985714
65 ATR 0.642857 0.971429
66 PTJ 0.641304 0.896104
67 SON 0.634146 0.932432
68 A4P 0.633663 0.843373
69 ALF ADP 0.632184 0.87013
70 ADP ALF 0.632184 0.87013
71 PR8 0.630435 0.85
72 LAD 0.630435 0.860759
73 AFH 0.628866 0.884615
74 GAP 0.627907 0.893333
75 DTP 0.627907 0.905405
76 ANP MG 0.625 0.894737
77 ADP VO4 0.625 0.931507
78 TXA 0.623656 0.932432
79 NB8 0.623656 0.896104
80 ME8 0.623656 0.839506
81 FYA 0.623656 0.905405
82 1ZZ 0.623656 0.839506
83 T5A 0.621359 0.841463
84 RAB 0.619718 0.84507
85 XYA 0.619718 0.84507
86 ADN 0.619718 0.84507
87 AP0 0.607843 0.896104
88 FA5 0.604167 0.906667
89 YAP 0.604167 0.894737
90 NXX 0.60396 0.932432
91 NAI 0.60396 0.907895
92 TXD 0.60396 0.907895
93 NAX 0.60396 0.873418
94 DND 0.60396 0.932432
95 ADP BMA 0.602151 0.918919
96 A2R 0.6 0.985915
97 XAH 0.597938 0.839506
98 DAL AMP 0.593407 0.905405
99 AOC 0.592593 0.821918
100 DDS 0.590909 0.878378
101 139 0.590476 0.873418
102 CNA 0.584906 0.932432
103 6AD 0.58427 0.909091
104 5AS 0.583333 0.77907
105 5N5 0.581081 0.819444
106 4TC 0.576923 0.896104
107 ADJ 0.575472 0.851852
108 A4D 0.573333 0.819444
109 5CD 0.573333 0.805556
110 RGT 0.571429 0.958904
111 A3P 0.571429 0.971429
112 LAQ 0.568627 0.839506
113 YLP 0.563107 0.819277
114 UPA 0.561905 0.907895
115 AV2 0.56044 0.917808
116 COD 0.559633 0.811765
117 3AM 0.555556 0.929577
118 ATP A A A 0.555556 0.930556
119 A2P 0.552941 0.957143
120 TYM 0.552381 0.906667
121 NA7 0.552083 0.958904
122 EP4 0.551282 0.753247
123 MYR AMP 0.55102 0.817073
124 PPS 0.549451 0.873418
125 YLB 0.54717 0.819277
126 YLC 0.54717 0.839506
127 DAT 0.545455 0.905405
128 NAD 0.545455 0.931507
129 G5A 0.544444 0.77907
130 DTA 0.544304 0.786667
131 M2T 0.544304 0.734177
132 3DH 0.54321 0.773333
133 128 0.542857 0.776471
134 AHZ 0.538462 0.817073
135 GTP 0.537634 0.92
136 SSA 0.537634 0.8
137 MTA 0.5375 0.773333
138 IOT 0.537037 0.831325
139 A3D 0.535714 0.918919
140 7MD 0.533981 0.8625
141 AR6 AR6 0.533981 0.917808
142 YLA 0.53211 0.819277
143 IMO 0.529412 0.929577
144 AMP DBH 0.529412 0.893333
145 TAD 0.528846 0.884615
146 AYB 0.527273 0.809524
147 A5A 0.526882 0.807229
148 TSB 0.526316 0.819277
149 EAD 0.525424 0.873418
150 2AM 0.52439 0.943662
151 V3L 0.521739 0.971831
152 AVV 0.520833 0.896104
153 BTX 0.517857 0.841463
154 NAE 0.517241 0.894737
155 52H 0.515789 0.77907
156 54H 0.515789 0.788235
157 VMS 0.515789 0.788235
158 NSS 0.515464 0.8
159 BT5 0.513274 0.831325
160 NAQ 0.512821 0.871795
161 ZAS 0.511905 0.766234
162 A3N 0.511628 0.786667
163 53H 0.510417 0.77907
164 5CA 0.510417 0.8
165 ARU 0.510204 0.860759
166 LA8 ALF 3PG 0.509259 0.8375
167 AF3 ADP 3PG 0.509259 0.8375
168 ALF ADP 3PG 0.509259 0.8375
169 ZID 0.508475 0.918919
170 P1H 0.508197 0.851852
171 OVE 0.505882 0.905405
172 S4M 0.505747 0.666667
173 LPA AMP 0.504673 0.817073
174 7MC 0.504587 0.841463
175 DSZ 0.5 0.8
176 MAO 0.5 0.759036
177 DZD 0.5 0.884615
178 LSS 0.5 0.761364
179 DSH 0.5 0.725
180 FB0 0.5 0.804598
181 P5A 0.5 0.744444
182 NDE 0.495935 0.932432
183 N0B 0.495798 0.819277
184 YLY 0.495726 0.809524
185 M24 0.495726 0.85
186 NJP 0.495575 0.945946
187 NVA LMS 0.494949 0.761364
188 MGP 0.494737 0.884615
189 6C6 0.494624 0.881579
190 NAJ PZO 0.491379 0.848101
191 0WD 0.491228 0.921053
192 LEU LMS 0.49 0.761364
193 6FA 0.488189 0.841463
194 5AD 0.486842 0.746479
195 GSU 0.485149 0.77907
196 KAA 0.485149 0.752809
197 A3G 0.482759 0.8
198 NEC 0.482759 0.746667
199 ODP 0.482456 0.909091
200 NAD IBO 0.482456 0.87013
201 FAS 0.48062 0.851852
202 FAD 0.48062 0.851852
203 FDA 0.480315 0.833333
204 N6P 0.48 0.915493
205 2SA 0.479167 0.932432
206 GP3 0.478723 0.921053
207 G A A A 0.478261 0.871795
208 SFG 0.478261 0.75
209 4TA 0.478261 0.807229
210 NDP 0.477876 0.921053
211 NPW 0.477876 0.886076
212 NDC 0.47619 0.871795
213 YSA 0.47619 0.77907
214 MGO 0.474227 0.860759
215 TXP 0.473684 0.921053
216 6IA 0.473684 0.8375
217 NZQ 0.473684 0.909091
218 GDP 0.473684 0.92
219 A7D 0.472527 0.776316
220 SFD 0.469231 0.734043
221 A5D 0.468085 0.786667
222 SA8 0.468085 0.707317
223 12D 0.46789 0.785714
224 PGS 0.467391 0.883117
225 MHZ 0.467391 0.697674
226 DA 0.465909 0.878378
227 D5M 0.465909 0.878378
228 GGZ 0.464646 0.825
229 SAH 0.463158 0.74359
230 SAI 0.463158 0.734177
231 NAJ PYZ 0.46281 0.85
232 FAY 0.462687 0.8625
233 PO4 PO4 A A A A PO4 0.460784 0.902778
234 AAM 0.460674 0.971429
235 RFL 0.459259 0.821429
236 SMM 0.459184 0.686047
237 AMZ 0.458824 0.916667
238 C2R 0.458824 0.90411
239 SAM 0.458333 0.690476
240 A3S 0.456522 0.810811
241 FNK 0.455224 0.804598
242 AAT 0.453608 0.707317
243 EEM 0.453608 0.690476
244 AIR 0.451219 0.901408
245 GSP 0.45 0.873418
246 DCA 0.45 0.823529
247 ETB 0.45 0.833333
248 NIA 0.448276 0.822785
249 AMP NAD 0.447154 0.881579
250 A3T 0.446809 0.821918
251 A A A 0.446602 0.905405
252 K15 0.446602 0.682353
253 PUA 0.446281 0.884615
254 6K6 0.445545 0.930556
255 GEK 0.445545 0.7375
256 S7M 0.444444 0.690476
257 1DG 0.443548 0.921053
258 DG1 0.443548 0.921053
259 Z5A 0.443548 0.77907
260 COA 0.442623 0.823529
261 WSA 0.442478 0.788235
262 8BR 0.43956 0.906667
263 101 0.438202 0.878378
264 IDP 0.4375 0.918919
265 NAP 0.435484 0.945205
266 APU 0.434783 0.894737
267 A U 0.434783 0.87013
268 PA7 0.434783 0.708861
269 7RP 0.433333 0.928571
270 A6D 0.432692 0.722892
271 J7V 0.432 0.833333
272 AMX 0.432 0.833333
273 CAO 0.432 0.795455
274 30N 0.432 0.752688
275 COS 0.432 0.804598
276 TAP 0.432 0.907895
277 V1N 0.431193 0.917808
278 P5F 0.429577 0.823529
279 NA0 0.428571 0.932432
280 SCO 0.428571 0.823529
281 7RA 0.428571 0.957747
282 CMX 0.428571 0.823529
283 GAV 0.427184 0.884615
284 0UM 0.427184 0.698795
285 QQY 0.426966 0.815789
286 1RB 0.426966 0.885714
287 ACK 0.426966 0.861111
288 GCP 0.425743 0.896104
289 G1R 0.425743 0.907895
290 ACO 0.425197 0.795455
291 FCX 0.425197 0.795455
292 FAM 0.425197 0.804598
293 GNH 0.424242 0.907895
294 F2N 0.423611 0.813953
295 GDC 0.422018 0.884615
296 GDD 0.422018 0.884615
297 GKE 0.422018 0.884615
298 HAX 0.421875 0.804598
299 3AD 0.421687 0.805556
300 GNP 0.421569 0.896104
301 FA9 0.42069 0.864198
302 TM1 0.420561 0.77381
303 2MC 0.419847 0.769231
304 FYN 0.418605 0.823529
305 26A 0.416667 0.763158
306 NHD 0.416667 0.905405
307 2VA 0.416667 0.8
308 QQX 0.41573 0.805195
309 OXK 0.415385 0.804598
310 SOP 0.415385 0.804598
311 CA6 0.415385 0.729167
312 COK 0.415385 0.804598
313 MCD 0.415385 0.804598
314 YE1 0.413534 0.813953
315 RMB 0.413043 0.873239
316 FAI 0.413043 0.916667
317 CO6 0.412214 0.804598
318 NMX 0.412214 0.76087
319 1VU 0.412214 0.795455
320 CMC 0.412214 0.804598
321 ANZ 0.410714 0.8
322 SCA 0.410448 0.804598
323 PLP AAD 0.409836 0.741573
324 SCD 0.409091 0.823529
325 CAJ 0.409091 0.804598
326 NVA 2AD 0.408163 0.74359
327 D3Y 0.407767 0.789474
328 NOS 0.407407 0.791667
329 U G A 0.407407 0.839506
330 CC5 0.407407 0.816901
331 KH3 0.40708 0.674419
332 SLU 0.406504 0.770115
333 5GP 0.40625 0.906667
334 G 0.40625 0.906667
335 3HC 0.406015 0.813953
336 1HE 0.406015 0.786517
337 MLC 0.406015 0.804598
338 GTG 0.405405 0.886076
339 NMN AMP PO4 0.404959 0.87013
340 3D1 0.404762 0.773333
341 3L1 0.404762 0.773333
342 CMP 0.404255 0.901408
343 2BA 0.404255 0.915493
344 MCA 0.402985 0.795455
345 CAA 0.402985 0.813953
346 3NZ 0.401869 0.782051
347 G2R 0.401869 0.884615
348 2CP 0.4 0.795455
349 ZZB 0.4 0.77381
350 MC4 0.4 0.76087
351 2FA 0.4 0.813333
Similar Binding Sites
Pocket no: 1; Query (leader) PDB : 2GU8; Ligand: 796; Similar sites found: 481
This union binding pocket (no: 1) in the query (biounit: 2gu8.bio1) has 54 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2GU8 796 8.867e-24 1
2 1RE8 BD2 4.585e-12 0.61558
3 2JDR GLY 1.961e-11 0.61479
4 3RWP ABQ 4.427e-10 0.57893
5 3MVH GLY 4.575e-10 0.56162
6 2BPM 529 1.534e-09 0.54419
7 2WTV ZZL 2.377e-07 0.50144
8 1PME SB2 2.053e-08 0.49974
9 3IOK 1P6 1.66e-08 0.49351
10 4NW6 2NS 2.865e-10 0.49339
11 3FHI ANP 1.289e-10 0.48672
12 2XMY CDK 5.716e-07 0.48499
13 4MXO DB8 1.059e-07 0.48405
14 2YAK OSV 6.221e-10 0.48144
15 3PVW QRX 1.961e-10 0.47932
16 1OUK 084 1.725e-05 0.4761
17 4NM5 ADP 5.416e-08 0.47598
18 3IDB ANP 1.038e-11 0.47358
19 2JLD AG1 1.251e-08 0.47024
20 3E8N ATP 4.619e-07 0.46856
21 3VBQ 0F5 8.124e-08 0.46661
22 3KF4 B90 2.97e-07 0.46482
23 2QCS ANP 4.37e-10 0.4625
24 3THB 3TA 4.118e-08 0.45936
25 3LXK MI1 9.183e-09 0.4578
26 2PVN P63 5.995e-09 0.45733
27 4WHZ 3NL 1.405e-05 0.45549
28 3AT4 CCK 9.623e-08 0.45407
29 4F4P 0SB 7.228e-07 0.44591
30 4GJ3 0XP 1.212e-08 0.44498
31 1XKK FMM 9.371e-08 0.44408
32 2Z7R STU 1.998e-10 0.44394
33 4BKY 82B 3.73e-10 0.44283
34 4C2V YJA 1.87e-07 0.44001
35 3LQ8 88Z 7.125e-06 0.43944
36 4F65 0S9 1.636e-06 0.43807
37 3LXN MI1 2.315e-10 0.43721
38 4QTB 38Z 6.908e-08 0.43582
39 1PHK ATP 6.319e-11 0.43541
40 4I5C C5I 3.853e-10 0.43477
41 4OTI MI1 1.277e-10 0.43356
42 1XJD STU 5.888e-11 0.43312
43 4IWD 1JC 3.863e-07 0.43264
44 4NWM 2P5 1.315e-05 0.43201
45 2X4Z X4Z 2.711e-07 0.43083
46 3BZ3 YAM 6.683e-06 0.42939
47 3TKI S25 3.104e-09 0.42924
48 3E7O 35F 1.574e-08 0.42818
49 4E6D 0NU 1.237e-09 0.42714
50 4BHN BH9 5.166e-09 0.42661
51 3EQR T74 1.241e-08 0.42572
52 3VHE 42Q 7.362e-08 0.42562
53 3SXF BK5 5.919e-07 0.4252
54 4L3L 5FI 3.936e-09 0.4248
55 2XB7 GUI 2.002e-06 0.4247
56 2EVA ADN 1.318e-07 0.42422
57 4MQ1 2C3 2.418e-09 0.42408
58 4AG8 AXI 6.817e-07 0.42363
59 4P5Z Q7M 2.336e-05 0.4233
60 1VJY 460 4.827e-08 0.41935
61 4OTH DRN 1.585e-09 0.41917
62 4JDI ARG 4.889e-06 0.41846
63 4FG8 ATP 2.879e-08 0.41748
64 4E4N 0NL 1.384e-09 0.41746
65 3EYG MI1 2.174e-09 0.41596
66 4EQC XR1 1.765e-06 0.41463
67 2YAB AMP 3.335e-09 0.41436
68 4MK0 29X 7.57e-08 0.41393
69 4IVD 15T 1.039e-08 0.41261
70 3RI1 3RH 6.108e-08 0.41257
71 3BQC EMO 1.83e-08 0.41255
72 2OFV 242 6.255e-06 0.41225
73 4E93 GUI 1.381e-05 0.41161
74 2XVD AS6 4.114e-07 0.41116
75 3PP0 03Q 4.023e-08 0.41103
76 3V8T 477 1.336e-05 0.41028
77 4U0I 0LI 0.0001205 0.40974
78 4E6Q 0NV 1.012e-08 0.40972
79 3V8S 0HD 2.033e-11 0.40899
80 1V0O INR 1.028e-08 0.40778
81 2NRY STU 1.963e-09 0.40649
82 4E1Z 0MX 6.318e-08 0.40291
83 4EUU BX7 2.984e-07 0.40279
84 4LFI GNP 3.502e-08 0.4021
85 2B9I ADP 1.519e-08 0.40183
86 4QTC 38Z 4.597e-07 0.40181
87 2J90 IZA 1.135e-08 0.40125
88 2X2M X2M 5.631e-08 0.40114
89 3ORK AGS 2.953e-06 0.40089
90 4JR7 GNP 4.38e-09 0.40061
91 4FL3 ANP 1.672e-07 0.40007
92 2B9F ADP 3.932e-08 0.39883
93 3VRY B43 1.269e-06 0.39822
94 2WU6 DKI 6.415e-08 0.39722
95 2PVF ACP 1.577e-08 0.39702
96 1Q8Y ADP 9.564e-08 0.39645
97 4F99 ADP 1.069e-08 0.39608
98 3IGO ANP 4.378e-07 0.39537
99 3SG8 TOY 1.769e-05 0.39472
100 4ASE AV9 3.626e-07 0.39389
101 2VAG V25 4.987e-09 0.39364
102 3SXS PP2 7.862e-08 0.39272
103 3KRL KRL 3.821e-06 0.39167
104 4IZY 1J2 4.346e-07 0.39118
105 1Y57 MPZ 6.484e-08 0.39077
106 2RIO ADP 1.563e-07 0.38978
107 3EYH IZA 1.996e-08 0.3895
108 3BI6 396 2.434e-07 0.38904
109 2B9H ADP 3.051e-08 0.38897
110 1OPK P16 6.023e-08 0.38817
111 3DLS ADP 3.814e-09 0.38809
112 3A8W ATP 1.701e-07 0.38757
113 2B9J ADP 4.75e-08 0.38753
114 4OH4 ANP 6.496e-08 0.38703
115 4MWH ATP 1.194e-07 0.38689
116 4F9A ADP 1.448e-08 0.38646
117 4QPM ADP 3.846e-07 0.38617
118 4KS7 X4Z 6.143e-07 0.38598
119 4E5W 0NT 8.445e-08 0.38535
120 4IVC 1J6 8.045e-08 0.38501
121 4H3Q ANP 4.181e-07 0.38472
122 1U5R ATP 2.38e-08 0.38443
123 2OIC STU 5.305e-09 0.38416
124 3SLS ANP 9.311e-07 0.38369
125 3GQI ACP 5.249e-08 0.38335
126 3F7Z 34O 8.984e-08 0.38277
127 3M2W L8I 6.858e-09 0.38261
128 4OAC ADP 9.289e-08 0.38091
129 4BBF O19 2.484e-08 0.38084
130 3PLS ANP 2.281e-07 0.37986
131 4CQE CQE 1.324e-07 0.37973
132 2H8H H8H 1.526e-07 0.37971
133 3GNI ATP 3.286e-07 0.37958
134 3FHR P4O 3.931e-07 0.37904
135 1BYG STU 1.645e-08 0.37885
136 3C0I 3AM 3.433e-08 0.3787
137 4O1P ANP 4.809e-07 0.37819
138 4BTK DTQ 7.45e-07 0.37791
139 3E5A VX6 1.949e-05 0.3776
140 1CM8 ANP 4.441e-08 0.37743
141 3NW7 LGV 0.0001988 0.3774
142 3TZM 085 8.26e-08 0.37705
143 1U59 STU 6.107e-09 0.37701
144 3TTI KBI 6.098e-07 0.37607
145 4NST ADP 1.717e-07 0.37606
146 4M69 ANP 6.553e-06 0.37535
147 4IDT T28 5.849e-08 0.37478
148 4K77 1Q4 1.057e-08 0.37441
149 3EKK GS2 2.273e-06 0.37419
150 2R5T ANP 1.096e-07 0.37415
151 2XNM WGZ 2.407e-05 0.37392
152 3TXO 07U 5.574e-10 0.37344
153 4IVB 1J5 2.126e-07 0.37325
154 3SRV S19 5.078e-08 0.3725
155 1UNH IXM 1.731e-07 0.37126
156 2HK5 1BM 1.393e-07 0.37123
157 2Y6O 1N1 9.539e-07 0.37121
158 4CFU 2WC 2.535e-08 0.37092
159 2XK9 XK9 0.005953 0.37058
160 4OAV ACP 1.205e-06 0.37031
161 4U44 3D9 4.501e-07 0.36974
162 3TDV GDP 1.411e-06 0.36921
163 4E4L 0NH 1.779e-07 0.36866
164 2OID ANP 2.114e-07 0.36843
165 2VZ6 FEF 4.646e-09 0.36793
166 4IJP 1EH 7.929e-07 0.36724
167 4MKC 4MK 2.247e-06 0.36697
168 2ZV2 609 9.085e-09 0.36686
169 4N70 2HX 4.318e-08 0.36681
170 1TQP ATP 1.123e-05 0.36668
171 4F9C 0SX 3.48e-08 0.36659
172 3ALN ANP 1.968e-06 0.36639
173 3O0G 3O0 1.072e-07 0.36616
174 4UXQ 0LI 5.969e-05 0.36601
175 4X2K 3WO 4.349e-08 0.36565
176 4X2J 3WN 4.349e-08 0.36565
177 3GC8 B45 1.47e-06 0.3653
178 4C4F 7CE 4.742e-07 0.36526
179 2QU6 857 4.033e-06 0.36406
180 4I94 ANP 7.176e-07 0.36334
181 4N6Z 2HW 8.96e-09 0.36248
182 3UIM ANP 4.538e-07 0.36137
183 3HMO STU 8.733e-07 0.36099
184 3GGF GVD 1.418e-08 0.36056
185 2P2I 608 7.989e-06 0.36048
186 4DCE 0JF 9.294e-06 0.36004
187 4AOI 4K0 4.663e-06 0.36001
188 4K1B 1OC 2.841e-07 0.35978
189 4FVQ ATP 4.873e-06 0.35968
190 2V7O DRN 6.713e-08 0.35947
191 4JQE ANP 4.819e-07 0.35912
192 4OCJ NDG 0.0008936 0.35786
193 4BFM ANP 2.238e-06 0.35775
194 2V58 LZJ 0.006241 0.35761
195 1ZP9 ATP 9.524e-07 0.35745
196 3ZOS 0LI 0.000925 0.35718
197 3RE4 TO1 1.511e-06 0.35652
198 3FI3 JK2 8.836e-05 0.35633
199 4OUC 5ID 4.553e-07 0.35631
200 4CD0 AWJ 6.322e-06 0.35563
201 2CSN CKI 0.01165 0.35505
202 4CTB KVC 2.418e-06 0.35464
203 3PE2 E1B 4.846e-07 0.35417
204 4CMT GWH 1.101e-05 0.35382
205 3A7H ATP 6.839e-06 0.35379
206 4H3P ANP 6.552e-07 0.35356
207 4IX4 ADP 2.858e-05 0.35332
208 3LKM AMP 0.0001408 0.35329
209 4BCN T9N 2.224e-07 0.35295
210 4FOB 0US 1.039e-05 0.35288
211 4LOO SB4 6.638e-06 0.35227
212 1XR1 ANP 2.64e-07 0.35198
213 4OA2 ADP 1.007e-06 0.35168
214 4C2W ANP 3.241e-07 0.35153
215 4H1M 0YJ 0.001066 0.35096
216 3U6H 03X 0.0008659 0.3507
217 4ANW O92 0.0012 0.35036
218 4Q5H ANP 1.322e-05 0.35003
219 4F9B 0SY 1.863e-08 0.34986
220 1Q8Y ADE 6.3e-06 0.34962
221 4GW8 3RA 4.091e-07 0.34931
222 4EWH T77 5.587e-06 0.34807
223 4CCU AWF 2.065e-06 0.34778
224 3BE2 RAJ 6.351e-05 0.34681
225 3BU5 ATP 2.63e-07 0.34527
226 3BRB ADP 6.937e-06 0.34516
227 4EI4 0Q2 5.291e-07 0.34506
228 4LRJ ANP 3.882e-06 0.34487
229 3W0O ADP 0.0007905 0.34477
230 1IA9 ANP 0.0001478 0.34474
231 3EFK MT4 0.0001589 0.34474
232 4ORK GDP 1.125e-05 0.3447
233 4CKR DI1 0.0001036 0.3446
234 3DAK ANP 7.37e-07 0.3444
235 4KNB 1RU 1.257e-05 0.34421
236 3UDZ ADP 3.714e-05 0.34403
237 4CYI ATP 2.095e-05 0.34384
238 4FK6 0UJ 8.536e-06 0.34378
239 4O4F ATP 0.0005309 0.34376
240 2A19 ANP 3.855e-07 0.34275
241 4CLI 5P8 3.134e-06 0.3423
242 2P2H 994 4.795e-06 0.34227
243 3TM0 ANP 0.002677 0.34227
244 2OO8 RAJ 0.0002286 0.34221
245 1ZTH ADP 1.459e-06 0.34215
246 3KN5 ANP 8.321e-07 0.34187
247 4BCM T7Z 2.305e-06 0.34166
248 3R0T FU9 4.186e-06 0.34087
249 3RGF BAX 0.0001274 0.34058
250 4EHZ JAK 1.889e-06 0.34031
251 3ZBF VGH 4.244e-06 0.34019
252 4DC2 ADE 2.159e-09 0.34014
253 1PK8 ATP 0.0006506 0.34012
254 3PE1 3NG 2.553e-06 0.33972
255 3QUP LUN 1.158e-05 0.33966
256 2PYW ADP 1.421e-05 0.33905
257 3HAV ATP 0.000311 0.33891
258 2VN9 GVD 4.597e-08 0.33851
259 4EYM 0RX 1.589e-05 0.33848
260 4OCV ANP 0.00025 0.33834
261 4CCB OFG 3.29e-06 0.33823
262 3VPB ADP 0.001687 0.33783
263 3UZP 0CK 1.503e-06 0.3376
264 4CTC J99 6.464e-06 0.33754
265 3ZRM ZRM 1.02e-05 0.33695
266 4F0F ACP 3.197e-06 0.3368
267 4JX7 1N6 2.715e-06 0.33665
268 3C1X CKK 0.0001987 0.33662
269 4BBE 3O4 7.279e-08 0.33662
270 4NFN 2KC 3.402e-06 0.33622
271 2PUL ACP 2.973e-05 0.33583
272 2RFN AM7 3.12e-05 0.33574
273 4KBA 1QM 1.07e-05 0.33563
274 4AZW ATP 7.84e-05 0.33551
275 2NRU T12 1.105e-05 0.33534
276 1MQB ANP 4.004e-07 0.33441
277 3UYT 0CK 8.076e-06 0.33415
278 1IOW ADP 0.003676 0.33405
279 4PMT 31Y 1.605e-05 0.33399
280 1FEC FAD 0.03294 0.33375
281 1ZY5 ANP 3.315e-06 0.33322
282 2IO8 ADP 0.0006955 0.33321
283 3CXW 7CP 2.832e-06 0.33321
284 3T7A ADP 0.01302 0.33312
285 2WEI VGG 5.199e-06 0.33248
286 4MBI 26K 1.057e-07 0.33244
287 4TWC 37J 1.76e-05 0.33231
288 4TW9 386 1.764e-05 0.33215
289 1V97 MTE 0.03786 0.33168
290 2O2U 738 3.453e-08 0.33137
291 4FOC 0UU 1.722e-05 0.33103
292 4C58 824 0.007945 0.33099
293 4CLJ 5P8 1.931e-05 0.33098
294 3UCB 017 0.04268 0.33057
295 4I6H 1C8 2.155e-05 0.32997
296 4CMO YPW 8.654e-06 0.32962
297 3CY2 MB9 3.963e-07 0.32892
298 4PMM 31V 0.0001173 0.32877
299 3I0O ADP 2.458e-05 0.32868
300 4GRB 0XG 1.207e-06 0.32844
301 4HNF 16W 6.702e-07 0.32837
302 4GYI ADP 1.152e-05 0.32797
303 4CMU IV7 6.401e-06 0.32718
304 4PU5 ANP 0.001781 0.32707
305 3DNT ATP 0.001376 0.32587
306 3OWL 19E 4.163e-08 0.32569
307 1Z2P ACP 0.007969 0.32535
308 3C0G 3AM 5.618e-08 0.3253
309 4PMP 31W 5.269e-05 0.32464
310 4BKJ STI 0.0006485 0.32419
311 1E4V AP5 0.04324 0.32405
312 3Q60 ATP 0.0002112 0.32374
313 3PDT ADP 0.0008532 0.32348
314 2VQD AP2 0.002353 0.32322
315 1I7L ATP 0.0005377 0.32252
316 1EHI ADP 0.001791 0.32211
317 2BKK ADP 8.447e-05 0.32208
318 4AU8 Z3R 4.815e-06 0.32157
319 2WQN ADP 1.45e-05 0.32131
320 3H9R TAK 1.082e-05 0.32078
321 2Q7D ANP 0.007229 0.32047
322 4KWP EXX 1.946e-06 0.32006
323 2WXG ZZN 0.006482 0.3198
324 1QF9 ADP 0.03929 0.31974
325 2ZM3 575 4.267e-05 0.31944
326 3VPC ADP 0.001862 0.31928
327 2VPQ ANP 0.003212 0.31884
328 2RGX AP5 0.04575 0.31801
329 4NJH 2K8 0.02137 0.31775
330 3OFM 4B0 2.317e-08 0.31749
331 1OVD FMN 0.04555 0.31745
332 3KMW ATP 0.0002363 0.31725
333 3V4S ATP 0.03708 0.31702
334 4KBC 1QJ 3.041e-07 0.31647
335 2AQX ATP 0.003046 0.31603
336 2YW2 ATP 0.002355 0.31562
337 3PTG 932 1.051e-05 0.31514
338 3WVR AMP 0.0006704 0.31491
339 1WBP ADP 5.718e-06 0.31473
340 4HXY NDP 0.03616 0.3146
341 4G16 0VM 0.0001508 0.31446
342 3RUX BS5 0.0304 0.31425
343 4DEH 0JK 0.0001059 0.31382
344 3AKK ADP 0.002156 0.31333
345 1K3A ACP 1.654e-05 0.31244
346 4CNH 3U9 2.351e-06 0.31225
347 4BCQ TJF 8.055e-06 0.31207
348 3ETH ATP 0.006346 0.311
349 4O2B ACP 0.005325 0.31086
350 3C0H AMP 2.965e-07 0.31059
351 3OWK 18E 2.286e-07 0.31043
352 1KJ8 ATP 0.04623 0.31036
353 3V4S ADP 0.04194 0.31031
354 4F1M ACP 0.0001053 0.31027
355 3TV3 MAN 0.03732 0.31012
356 3U7S 017 0.02896 0.30995
357 3TPV ADE 0.004643 0.30989
358 3K5I ADP 0.04501 0.30887
359 2GQS C2R 0.00119 0.30872
360 4G17 0VN 0.0002934 0.30836
361 3JPV 1DR 1.392e-06 0.30787
362 3VOT ADP 0.00145 0.30753
363 1W2D 4IP 0.01045 0.30647
364 3HZT J60 0.0001478 0.30645
365 3KYF 5GP 0.001577 0.30615
366 4X0M 3WA 1.606e-06 0.30502
367 3GC0 AMP 8.899e-05 0.30471
368 2RDE C2E 0.0008805 0.30371
369 2QO4 CHD 0.03717 0.30361
370 2F2U M77 0.04061 0.30342
371 3SLS 77D 0.001028 0.3027
372 4B0T ADP 0.02134 0.30222
373 3KYG 5GP 0.005411 0.30152
374 4F1O ACP 9.166e-05 0.30113
375 2WEL K88 5.344e-07 0.30045
376 4IPH 1FJ 0.01951 0.2989
377 1M0W ANP 0.004706 0.29846
378 1CER NAD 0.04537 0.29778
379 1LO0 BC1 0.002882 0.29714
380 2OXY K17 6.029e-07 0.29682
381 2QLU ADE 1.136e-06 0.29596
382 3QXV MTX 0.02539 0.29504
383 2PZI AXX 0.001117 0.29451
384 4ONF ASP 0.007289 0.29437
385 4K38 SAM 0.024 0.29409
386 4AZ3 S35 0.02386 0.29326
387 3NKS ACJ 0.004582 0.2932
388 1S4M LUM 0.0484 0.29299
389 1EBF NAD 0.03959 0.29161
390 1OFU GDP 0.03228 0.29127
391 2J9D ADP 0.03155 0.29108
392 1SN0 T44 0.006799 0.29071
393 3RGA LSB 0.00632 0.29067
394 3TII ANP 0.002672 0.28992
395 1NCQ W11 0.02771 0.28986
396 4AUA 4AU 0.000119 0.28924
397 3LF0 ATP 0.03141 0.28873
398 3TFJ THG 0.04374 0.28869
399 2GQR ADP 0.007952 0.28827
400 2QK4 ATP 0.001614 0.28774
401 3WAR NIO 4.582e-07 0.28743
402 4AFH L0B 0.03279 0.28721
403 3KMT SAH 0.01012 0.2872
404 4AZT LY2 0.003746 0.28677
405 2IF8 ADP 0.0002176 0.28645
406 3PFF ADP 0.03623 0.28625
407 2IVD ACJ 0.01772 0.28596
408 3AQV TAK 0.003277 0.28594
409 4UWH JXM 0.01299 0.28547
410 2HAL ACE 0.04539 0.28522
411 4N1T 2GD 0.04607 0.28436
412 4RLL E91 2.665e-05 0.28347
413 2GQS ADP 0.02262 0.28311
414 4LBK GAL 0.03589 0.28297
415 3MB6 01I 3.756e-05 0.28224
416 3A3B FMN 0.03871 0.28209
417 3FEA ACE 0.02873 0.28127
418 1S68 AMP 0.01423 0.28111
419 3A3B RBF 0.04092 0.28106
420 3PN1 IVH 0.01259 0.28044
421 4FE2 AIR 0.01251 0.28044
422 2CFM AMP 0.02149 0.27981
423 2IRY DGT 0.04303 0.27866
424 2ORO 228 0.03803 0.27757
425 2XCF BBQ 0.04814 0.27701
426 4OHT NAP 0.04434 0.27655
427 1JPA ANP 1.98e-06 0.27571
428 3E0M SER 0.01816 0.27552
429 1RZX ACE 0.001738 0.27524
430 1TZD ADP 0.0005127 0.27508
431 3E0M SER 0.02154 0.27454
432 1BW9 PPY 0.04139 0.2736
433 2QHS OCA 0.01072 0.27334
434 4IAW LIZ 0.03839 0.27213
435 3TY5 ATP 0.04523 0.27173
436 2YRX AMP 0.004339 0.27169
437 2XG5 EC5 0.001834 0.27152
438 1Y2F WAI 0.04244 0.27143
439 4LH7 1X8 0.007429 0.27101
440 3IWD M2T 0.0275 0.27084
441 4DFU QUE 0.04444 0.27047
442 1C1E ENH 0.01991 0.26891
443 4FF8 14S 0.009757 0.26887
444 1BC5 ACE 0.009309 0.26883
445 1CBK ROI 0.02306 0.26836
446 4F1T H52 0.01202 0.26804
447 2XZ9 PYR 0.02608 0.26725
448 1I7M CG 0.02756 0.26696
449 2PYY GLU 0.04801 0.26645
450 1T7R DHT 0.04942 0.26634
451 2QHV OC9 0.005373 0.26628
452 2WZ5 MET 3.535e-05 0.26468
453 2XG5 EC2 0.00175 0.26403
454 2W5P CL8 0.02849 0.26394
455 4GLW 0XT 0.01516 0.2636
456 4DSU BZI 0.04822 0.26165
457 4RDN 6MD 0.04558 0.26149
458 2I0L ARG 0.02343 0.26121
459 3D9T ALA 0.04371 0.26112
460 1FWV SGA 0.02608 0.26058
461 3QBC B55 0.0136 0.26042
462 3OYW TDG 0.0493 0.26022
463 4G31 0WH 0.001414 0.26018
464 1I31 PHE 0.02002 0.25938
465 3CM2 X23 0.02035 0.25803
466 3QH2 3NM 0.04434 0.25747
467 3ZJX BOG 0.0186 0.25673
468 3BP1 GUN 0.007121 0.25639
469 3TTM PUT 0.02979 0.25621
470 4KYQ FLC 0.0375 0.25389
471 2G30 ALA 0.001047 0.25381
472 4IKN ASP 0.03342 0.25314
473 1NME 159 0.03398 0.25256
474 2VJ0 PHE 0.04037 0.25134
475 4L4J NAG 0.003819 0.25096
476 3WXL ADP 0.03579 0.24969
477 4M6T SAM 0.0462 0.24784
478 3VV1 GAL 0.03401 0.24655
479 2IMG MLT 0.04024 0.24619
480 4NST AF3 3.095e-05 0.24069
481 1HBK MYR 0.04655 0.23349
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