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 CC12C(C(CC....
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 CC1c2c(ncn....
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 CC1CNCCN1S....
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(CCCNC1....
42 4IAF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
43 2GNF Ki = 6 uM Y27 C14 H21 N3 O CC(C1CCC(C....
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 CC(C1CCC(C....
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(CCCNC1....
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 CC12C(C(CC....
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 CC(C1CCC(C....
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 CC12C(C(CC....
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 CC1c2c(ncn....
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 CC1CNCCN1S....
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(CCCNC1....
42 4IAF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
43 2GNF Ki = 6 uM Y27 C14 H21 N3 O CC(C1CCC(C....
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 CC(C1CCC(C....
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(CCCNC1....
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 CC12C(C(CC....
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 CC(C1CCC(C....
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 CC12C(C(CC....
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 CC1c2c(ncn....
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 CC1CNCCN1S....
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(CCCNC1....
42 4IAF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
43 2GNF Ki = 6 uM Y27 C14 H21 N3 O CC(C1CCC(C....
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 CC(C1CCC(C....
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(CCCNC1....
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 CC12C(C(CC....
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 CC(C1CCC(C....
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 (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GU8; Ligand: 796; Similar sites found: 463
This union binding pocket(no: 1) in the query (biounit: 2gu8.bio1) has 100 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2F2U M77 0.0000000002593 0.85258
2 2F2U M77 0.0000000004411 0.84026
3 2Z7R STU 0.00000000002019 0.82618
4 3GGF GVD 0.0000000006186 0.80803
5 3GGF GVD 0.0000000006186 0.80803
6 3GGF GVD 0.000000001045 0.80797
7 2VZ6 FEF 0.00000000181 0.80752
8 2ZV2 609 0.000000002154 0.80349
9 4K77 1Q4 0.000000003211 0.79423
10 2OIC STU 0.000000002119 0.79194
11 4E4N 0NL 0.0000000005218 0.78983
12 1U59 STU 0.0000000006472 0.78524
13 2OIC STU 0.000000002979 0.78422
14 4E4N 0NL 0.0000000004406 0.78319
15 4K77 1Q4 0.000000008917 0.78247
16 2OIC STU 0.000000001966 0.78236
17 4CFU 2WC 0.000000004398 0.77538
18 4BCN T9N 0.000000002834 0.77424
19 3EYG MI1 0.0000000007257 0.77276
20 2O2U 738 0.000000003463 0.76979
21 4JR7 GNP 0.000000003851 0.76743
22 4IDT T28 0.000000002449 0.76691
23 4BCN T9N 0.000000007223 0.76413
24 2NRY STU 0.00000000298 0.76264
25 4CFU 2WC 0.000000004833 0.76239
26 2NRY STU 0.000000003542 0.75889
27 3PVW QRX 0.0000000001028 0.75777
28 4F9A ADP 0.000000004006 0.75621
29 4IVD 15T 0.000000001123 0.75423
30 2OIC STU 0.00000001137 0.75384
31 2OID ANP 0.00000000295 0.75291
32 3OWL 19E 0.00000008817 0.75266
33 4IVD 15T 0.000000001238 0.75224
34 1V0O INR 0.000000003174 0.75135
35 2VZ6 FEF 0.00000001555 0.74674
36 2NRY STU 0.00000001037 0.74544
37 4E6Q 0NV 0.000000002695 0.74534
38 4MBI 26K 0.00000003096 0.74168
39 4F9A ADP 0.000000007936 0.74134
40 4AU8 Z3R 0.0000000328 0.74035
41 4E6Q 0NV 0.00000000238 0.73883
42 4AU8 Z3R 0.00000003898 0.73634
43 4AU8 Z3R 0.00000003898 0.73634
44 4NW6 2NS 0.00000000004197 0.73559
45 4C58 824 0.00000001133 0.7336
46 3OWK 18E 0.0000001594 0.73213
47 2OID ANP 0.00000001323 0.73022
48 2B9J ADP 0.00000001347 0.72984
49 2B9I ADP 0.000000009004 0.72913
50 2NRY STU 0.00000001494 0.72758
51 3SXS PP2 0.000000004152 0.72741
52 4OH4 ANP 0.000000008364 0.72166
53 4IVC 1J6 0.000000009214 0.71964
54 3C0I 3AM 0.000000004101 0.71916
55 1V0O INR 0.000000009717 0.71853
56 4GRB 0XG 0.00000008441 0.71843
57 2OID ANP 0.00000003653 0.71749
58 4IVC 1J6 0.00000001072 0.71646
59 4GW8 3RA 0.00000009899 0.71473
60 4OH4 ANP 0.00000001845 0.71384
61 2R5T ANP 0.000000006018 0.71144
62 2R5T ANP 0.000000006018 0.71144
63 1OPK P16 0.000000006402 0.71019
64 3BQC EMO 0.000000006609 0.70955
65 2PVN P63 0.0000000006647 0.70794
66 4RLL E91 0.0000004387 0.70622
67 3JPV 1DR 0.0000003517 0.70588
68 3LXK MI1 0.000000001206 0.70418
69 2Y6O 1N1 0.00000001242 0.69684
70 2OID ANP 0.00000002843 0.69608
71 3TTI KBI 0.00000002864 0.69593
72 2WU6 DKI 0.000000009256 0.69492
73 2R5T ANP 0.00000001046 0.69251
74 4KWP EXX 0.000000791 0.69235
75 3GC8 B45 0.00000001113 0.69128
76 2JLD AG1 0.000000001162 0.69095
77 4F1O ACP 0.0000001941 0.68949
78 3FHR P4O 0.00000003991 0.689
79 4CD0 AWJ 0.00000002015 0.6871
80 4CNH 3U9 0.00000006685 0.6864
81 1XR1 ANP 0.00000005118 0.6838
82 1VJY 460 0.000000005584 0.6827
83 2A19 ANP 0.0000004373 0.68028
84 4KS7 X4Z 0.0000000202 0.67948
85 3UZP 0CK 0.0000000976 0.67833
86 4FL3 ANP 0.00000003398 0.67658
87 3GC8 B45 0.00000003578 0.67554
88 4DCE 0JF 0.00000003723 0.67474
89 3DAK ANP 0.0000001231 0.67339
90 3DAK ANP 0.0000001231 0.67339
91 3IGO ANP 0.00000003986 0.67336
92 4NFN 2KC 0.0000001983 0.67136
93 4AUA 4AU 0.000001518 0.67032
94 4CQE CQE 0.00000003237 0.67016
95 4CCU AWF 0.0000002387 0.66733
96 3A7H ATP 0.000002346 0.66568
97 2JLD AG1 0.000000002405 0.66528
98 4F1M ACP 0.0000003974 0.66451
99 3GNI ATP 0.00000009528 0.66314
100 2QLU ADE 0.000002295 0.66115
101 4EQC XR1 0.000000002376 0.65947
102 1O9U ADZ 0.000003423 0.65795
103 3PP0 03Q 0.0000000211 0.65772
104 3HMO STU 0.000000375 0.6575
105 4KBA 1QM 0.000000823 0.65673
106 4CQE CQE 0.00000009263 0.65638
107 3UZP 0CK 0.0000001912 0.65624
108 3UZP 0CK 0.0000001912 0.65624
109 3ALN ANP 0.0000004287 0.65459
110 3PP0 03Q 0.00000007148 0.65448
111 3DAK ANP 0.000000636 0.65406
112 4CNH 3U9 0.000001401 0.65328
113 2JLD AG1 0.000000003488 0.6529
114 3ALN ANP 0.0000001819 0.64987
115 3RWP ABQ 0.00000000008687 0.648
116 3RWP ABQ 0.00000000008687 0.648
117 3VHE 42Q 0.0000000149 0.64525
118 4IZY 1J2 0.0000002353 0.64459
119 4DCE 0JF 0.0000002554 0.64291
120 3ALN ANP 0.000002335 0.64144
121 3SLS ANP 0.0000002166 0.63927
122 4KBA 1QM 0.0000009927 0.63634
123 4PNI KQQ 0.00000003556 0.63554
124 4KBA 1QM 0.0000007769 0.63412
125 3SLS ANP 0.0000003081 0.63218
126 2JDR L20 0.0000000000299 0.6319
127 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.0000000000299 0.6319
128 4F1T H52 0.00001184 0.62937
129 3FI3 JK2 0.0000007105 0.6288
130 3A7H ATP 0.000001474 0.62773
131 3A7H ATP 0.000001474 0.62773
132 4FOB 0US 0.0000002834 0.62723
133 4FOC 0UU 0.000001664 0.62511
134 4Q5H ANP 0.000001513 0.6199
135 4KBA 1QM 0.00000162 0.61845
136 4KBA 1QM 0.00000162 0.61845
137 3TDV GDP 0.000001642 0.61817
138 3TDV GDP 0.000002286 0.61111
139 4E93 GUI 0.00000005601 0.61062
140 4AG8 AXI 0.00000005835 0.6099
141 3VRY B43 0.000000396 0.60838
142 2WTV ZZL 0.000000002938 0.60625
143 3I0O ADP 0.0000115 0.60448
144 3I0O ADP 0.0000115 0.60448
145 2WQN ADP 0.000008371 0.60412
146 4G31 0WH 0.000003258 0.60356
147 4I6H 1C8 0.000003277 0.60344
148 1XKK FMM 0.00000002862 0.59688
149 3VRY B43 0.0000004175 0.59608
150 2P2I 608 0.000001333 0.59078
151 4GYI ADP 0.00001599 0.58945
152 1Y8E SVR 0.0001073 0.58451
153 3E5A VX6 0.000001727 0.58024
154 2PUL ACP 0.00001419 0.5785
155 2PUL ACP 0.00001419 0.5785
156 2P2I 608 0.00000253 0.57832
157 2QU6 857 0.000001972 0.5777
158 3ORK AGS 0.000002902 0.57032
159 2QU6 857 0.000005842 0.56737
160 2BPM 529 0.000000007014 0.56714
161 1TQP ATP 0.000005302 0.56394
162 2IF8 ADP 0.000133 0.56159
163 4P5Z Q7M 0.0000004483 0.55662
164 2PZI AXX 0.00007046 0.55581
165 2PZI AXX 0.00007622 0.55403
166 2BPM 529 0.00000001137 0.55317
167 3MVH WFE 0.00000000005082 0.55137
168 1PME SB2 0.00000001232 0.54066
169 2YAK OSV 0.0000000000633 0.53325
170 3THB 3TA 0.0000000003161 0.53312
171 3THB 3TA 0.0000000003161 0.53312
172 3VBQ 0F5 0.000000006129 0.53222
173 1IA9 ANP 0.0001049 0.5244
174 1AUX AGS 0.0001434 0.5229
175 2X4Z X4Z 0.000000001068 0.52134
176 3LKM AMP 0.0001287 0.52012
177 3KMW ATP 0.000228 0.51812
178 4CKR DI1 0.000039 0.51636
179 2YEX YEX 0.000000007357 0.51512
180 4GJ3 0XP 0.0000000002772 0.51415
181 2XMY CDK 0.0000001506 0.51295
182 3KYG 5GP 5GP 0.0003054 0.51176
183 4PMM 31V 0.000125 0.51121
184 3RGF BAX 0.00008635 0.5097
185 4F4P 0SB 0.00000003077 0.50703
186 4L3L 5FI 0.0000000003953 0.50543
187 2XK9 XK9 0.000000006384 0.50467
188 3VPC ADP 0.0001745 0.5045
189 4DFU QUE 0.001197 0.50226
190 1OUK 084 0.000004343 0.5021
191 3KF4 B90 0.00000005628 0.50176
192 2G30 ALA ALA PHE 0.0009897 0.50099
193 3VPB ADP 0.0001168 0.49971
194 3PDT ADP 0.0006951 0.49874
195 4QTB 38Z 0.000000001058 0.49702
196 4BKY 82B 0.00000000001165 0.49403
197 4MXO DB8 0.000001003 0.49359
198 3EQR T74 0.0000000002703 0.49262
199 3EQR T74 0.0000000002703 0.49262
200 1JGS SAL 0.003435 0.49221
201 2CSN CKI 0.0000000005504 0.49213
202 3SJK LYS PRO VAL LEU ARG THR ALA 0.002604 0.49201
203 3TKI S25 0.00000000005244 0.49173
204 4WHZ 3NL 0.00000005961 0.49109
205 4NWM 2P5 0.0000002477 0.49107
206 2XG5 EC5 0.001782 0.49078
207 2XG5 EC2 0.001782 0.49078
208 4QTB 38Z 0.000000002252 0.49051
209 3SLS 77D 0.001014 0.49036
210 1I7L ATP 0.0002718 0.48741
211 1I7L ATP 0.0002718 0.48741
212 1W2D ADP 0.001808 0.48717
213 4DFU QUE 0.002952 0.48619
214 3EQR T74 0.0000000003889 0.4836
215 3KYG 5GP 5GP 0.0007417 0.4835
216 1ULE GLA GAL NAG 0.002395 0.48337
217 3LQ8 88Z 0.0000006741 0.48303
218 1W2D ADP 0.002298 0.48161
219 3U6H 03X 0.00004556 0.48093
220 3E8N ATP 0.0000005259 0.479
221 3E8N VRA 0.0000005259 0.479
222 3E8N VRA 0.0000005259 0.479
223 3E8N ATP 0.0000005259 0.479
224 4C2V YJA 0.000000008986 0.47723
225 2X2M X2M 0.0000000001019 0.47548
226 2XB7 GUI 0.0000002805 0.47514
227 4F65 0S9 0.0000002298 0.47372
228 3SLS 77D 0.001464 0.47336
229 1PHK ATP 0.00000000001655 0.47026
230 3LQV ADE 0.00379 0.46932
231 3W0O ADP 0.0003436 0.4686
232 3BZ3 YAM 0.000005296 0.46799
233 2EVA ADN 0.00000001291 0.46794
234 3RI1 3RH 0.000000006784 0.46678
235 3BI6 396 0.0000000003429 0.46554
236 4MXO DB8 0.000004617 0.46548
237 2CFM AMP 0.004695 0.46501
238 2XVD AS6 0.00000001896 0.46483
239 4EUU BX7 0.000000006064 0.46433
240 4MQ1 2C3 0.0000000003112 0.46364
241 3V8S 0HD 0.000000000001699 0.46269
242 3V8S 0HD 0.000000000001737 0.4626
243 3RI1 3RH 0.00000001452 0.46198
244 4BHN BH9 0.0000000004315 0.46186
245 2YW2 ATP 0.001855 0.46052
246 4IWD 1JC 0.0000001616 0.46014
247 3LXN MI1 0.0000000002958 0.45965
248 2YW2 ATP 0.001948 0.45951
249 4E1Z 0MX 0.000000001469 0.45927
250 4BHN BH9 0.000000002671 0.45893
251 4PU5 ANP 0.001415 0.45876
252 3W0O HY0 0.0004993 0.45865
253 2OFV 242 0.0000002446 0.45838
254 3ORQ ADP 0.002097 0.458
255 2YAB AMP 0.0000000001742 0.45602
256 4OTI MI1 0.00000000006906 0.45503
257 1XJD STU 0.00000000003279 0.45376
258 3V8T 477 0.000002844 0.45365
259 3V8T 477 0.000002844 0.45365
260 4I5C C5I 0.0000000002773 0.45313
261 4UWH JXM 0.005536 0.45262
262 4MQ1 2C3 0.0000000006865 0.45062
263 3QBC B55 0.01318 0.45
264 4I5C C5I 0.0000000004722 0.44961
265 3KF4 B90 0.000001374 0.4495
266 3QBC B55 0.01289 0.44917
267 4NM5 ADP 0.000000006339 0.44873
268 4NM5 ADP 0.000000006339 0.44873
269 2HK5 1BM 0.000000001472 0.44854
270 3SXF BK5 0.0000004481 0.44817
271 3NKS ACJ 0.005718 0.44799
272 3NKS ACJ 0.005718 0.44799
273 3TPV ADE 0.004053 0.44796
274 4C2V YJA 0.0000002865 0.4473
275 3ZJX BOG 0.0151 0.44728
276 4MQ1 2C3 0.000000001409 0.44687
277 2QHV OC9 0.01314 0.44526
278 1LCK GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.007781 0.44504
279 4E6D 0NU 0.000000000904 0.44495
280 3AT4 CCK 0.0000000119 0.44416
281 4BFM ANP 0.000000003481 0.44415
282 2J7T 274 0.0000002009 0.44353
283 3TZM 085 0.000000005142 0.44221
284 1Y57 MPZ 0.00000001234 0.44174
285 2IVD ACJ 0.01121 0.44071
286 4BBF O19 0.0000000008098 0.43991
287 4FG8 ATP 0.00000002097 0.43987
288 3E7O 35F 0.0000002213 0.43981
289 4JPS 1LT 0.008356 0.43971
290 1W2D 4IP 0.002368 0.43916
291 4H3Q ANP 0.00000002675 0.43876
292 4MQ1 2C3 0.000000001108 0.43869
293 2J90 IZA 0.000000001176 0.43799
294 4MK0 29X 0.00000005147 0.43793
295 3ZJX BOG 0.0227 0.43785
296 4FG8 ATP 0.00000001397 0.43728
297 3R9V DXC 0.02381 0.43679
298 3ZJX BOG 0.02367 0.43675
299 3ZJX BOG 0.02378 0.43663
300 3V8T 477 0.00000009133 0.43662
301 3QBC B55 0.02318 0.43609
302 4ASE AV9 0.00000008862 0.43598
303 3E7O 35F 0.0000005169 0.4359
304 3TXO 07U 0.00000000003103 0.43437
305 3TXO 07U 0.00000000003103 0.43437
306 3E0M SER HIS MET ALA GLU ILE 0.02081 0.43425
307 2IVD ACJ 0.01776 0.434
308 3PFF ADP 0.01087 0.43396
309 3PFF ADP 0.01087 0.43396
310 3TM0 ANP 0.001478 0.43381
311 2XNM WGZ 0.0000006733 0.43272
312 4MWH ATP 0.000000008328 0.43258
313 4MWH ATP 0.000000008328 0.43258
314 1W62 PYC 0.02652 0.43254
315 3K5I ADP 0.00734 0.43225
316 2ZL4 ALA ALA ALA ALA 0.02736 0.43224
317 2Y69 CHD 0.02955 0.43175
318 4QTC 38Z 0.00000006836 0.43165
319 1Y8E SVR 0.02981 0.43103
320 2QHS OCA 0.02062 0.43051
321 2B9H ADP 0.000000005723 0.43047
322 4U0I 0LI 0.000000491 0.43027
323 1Q8Y ADP 0.00000001637 0.43024
324 4BBF O19 0.000000001098 0.42967
325 3BU5 ATP 0.000000005422 0.42952
326 2VAG V25 0.000000001952 0.42884
327 3EYH IZA 0.000000001985 0.42855
328 3K5I ADP 0.008806 0.42849
329 3GQI ACP 0.00000000359 0.42844
330 4A4Z ANP 0.02252 0.42844
331 1W2D 4IP 0.003156 0.42823
332 4BBF O19 0.0000000009263 0.42813
333 4BMB LAT 0.006331 0.42787
334 3TM0 B31 0.0018 0.42786
335 2Q7D ANP 0.0058 0.42786
336 2CBZ ATP 0.03486 0.42771
337 3OPT AKG 0.03472 0.42766
338 2H8H H8H 0.000000004573 0.42741
339 4OTH DRN 0.000000001384 0.42738
340 1U5R ATP 0.000000002921 0.42713
341 2ZL4 ALA ALA ALA ALA 0.03361 0.42703
342 1FQK ALF 0.03776 0.42678
343 3SRV S19 0.0000000009443 0.4262
344 4UAL 3FV 0.000000004684 0.426
345 3KYF 5GP 5GP 0.02642 0.42469
346 3E7S AT2 0.03548 0.42452
347 4LO2 GAL BGC 0.0276 0.42408
348 4LFI GNP 0.00000001067 0.42392
349 1QY1 PRZ 0.01104 0.42383
350 1QY1 PRZ 0.01104 0.42383
351 2UYN 2KT 0.03409 0.42254
352 3EKK GS2 0.000000158 0.42213
353 2ZL4 ALA ALA ALA ALA 0.04073 0.42192
354 4CG8 G8S 0.001274 0.42179
355 4CG8 G8V 0.001274 0.42179
356 2Q7D ANP 0.006002 0.42165
357 2Q7D ANP 0.006002 0.42165
358 4C4F 7CE 0.00000002736 0.42089
359 4H3P ANP 0.00000001745 0.42028
360 4JLS 3ZE 0.04707 0.42017
361 4C5N ACP 0.007486 0.42013
362 4BBF O19 0.00000000213 0.42012
363 4H3P ANP 0.00000001897 0.41995
364 4JQE ANP 0.000000007382 0.41982
365 3A3B RBF 0.03812 0.41968
366 3DGY 2GP 0.04335 0.4193
367 4K33 ACP 0.0000000331 0.4192
368 3OCP CMP 0.03367 0.41898
369 4OA2 ADP 0.00000003804 0.41871
370 3NW7 LGV 0.00005049 0.41842
371 2PVF ACP 0.000000006461 0.41745
372 3SHR CMP 0.03594 0.41744
373 3SHR CMP 0.03594 0.41744
374 3MBI HSX 0.04209 0.41728
375 3PIJ FRU 0.04916 0.41725
376 3EB9 FLC 0.01538 0.41699
377 4CMT GWH 0.0000000846 0.41691
378 1D2S DHT 0.02369 0.41688
379 4FE2 ADP 0.0321 0.41661
380 4IEN GDP 0.02402 0.41658
381 4JNJ BTN 0.0282 0.41623
382 1C1L GAL BGC 0.04165 0.41608
383 4IJP 1EH 0.00000005769 0.41567
384 4MKC 4MK 0.00000008595 0.41517
385 4O9S 2RY 0.008479 0.41514
386 4O9S 2RY 0.008479 0.41514
387 4F99 ADP 0.00000000528 0.41485
388 3O0G 3O0 0.00000001047 0.41453
389 2B9F ADP 0.00000001951 0.41368
390 2WTV ZZL 0.0000003761 0.41334
391 3P7N FMN 0.01866 0.41299
392 1T3D CYS 0.04229 0.41288
393 3NEM ATP 0.04437 0.41246
394 3KN5 ANP 0.000000007689 0.41243
395 4OAC ADP 0.00000003206 0.41235
396 3A8W ATP 0.00000008711 0.41229
397 3A8W ATP 0.00000008711 0.41229
398 4F9C 0SX 0.00000000764 0.41177
399 1MQB ANP 0.0000001767 0.41177
400 4JNJ BTN 0.03439 0.41175
401 4JNJ BTN 0.03439 0.41175
402 4JNJ BTN 0.03459 0.41162
403 4JNJ BTN 0.03513 0.41127
404 2RIO ADP 0.00000003395 0.41109
405 4AZ3 S35 0.01578 0.41091
406 4IJP 1EH 0.0000001021 0.41076
407 4JDI ANP 0.0000001097 0.4107
408 3A8W ATP 0.00000009859 0.41036
409 4K37 SAM 0.03195 0.41029
410 3M2W L8I 0.000000001418 0.40986
411 1XDN ATP 0.03775 0.40965
412 4IVB 1J5 0.0000000186 0.40959
413 1CM8 ANP 0.00000002522 0.40924
414 3P7N FMN 0.02561 0.4092
415 4U44 3D9 0.00000003701 0.40919
416 4U44 3D9 0.00000003701 0.40919
417 1CM8 ANP 0.00000002543 0.40917
418 2J51 DKI 0.00000003773 0.40867
419 4NWM 2P5 0.0000007394 0.4086
420 3UYT 0CK 0.00000006768 0.40857
421 4AVB CMP 0.04564 0.40847
422 6FIV 3TL 0.03999 0.40834
423 2GC0 PAN 0.03094 0.40802
424 4CCB OFG 0.00000006061 0.40756
425 1BYG STU 0.00000000622 0.40751
426 3UYT 0CK 0.0000001035 0.40749
427 3SRV S19 0.000000006087 0.40708
428 4CS9 AMP 0.02696 0.40708
429 4E5W 0NT 0.00000007131 0.407
430 3I9U DTU 0.03708 0.40678
431 4BTK DTQ 0.00000009353 0.40592
432 1U5R ATP 0.00000002079 0.40577
433 1U5R ATP 0.00000002079 0.40577
434 2X3J ATP 0.0265 0.40571
435 4K37 SAM 0.03955 0.40557
436 4E4L 0NH 0.00000003446 0.40543
437 3KRL KRL 0.0000003216 0.40506
438 4BCM T7Z 0.00000006679 0.40497
439 4NST ADP 0.00000005403 0.40451
440 4NST ADP 0.00000005906 0.40443
441 3SG8 TOY 0.00001004 0.40411
442 3SG8 TOY 0.00001004 0.40411
443 3UIM ANP 0.0000001223 0.4041
444 3CXW 7CP 0.0000000158 0.40401
445 2V58 LZJ 0.002089 0.40391
446 3A2Y TS5 0.03748 0.40386
447 3A2Y TS5 0.03748 0.40386
448 2WTV ZZL 0.0000009896 0.40384
449 1EPB REA 0.04313 0.40364
450 2ORO 228 0.04318 0.40362
451 1JG3 ADN 0.01075 0.4036
452 4QPM ADP 0.000000217 0.40342
453 3F7Z 34O 0.00000004259 0.40331
454 1UNH IXM 0.00000001737 0.40317
455 1FS5 TLA 0.04454 0.40292
456 4O1P ANP 0.0000001755 0.40281
457 3ZOS 0LI 0.000003058 0.4023
458 3RGA LSB 0.04619 0.40212
459 4I9B NAD 0.03241 0.40152
460 4FVQ ATP 0.0000008173 0.40136
461 4K1B 1OC 0.00000005063 0.40105
462 4IVB 1J5 0.00000002316 0.40041
463 2HKA C3S 0.03425 0.40037
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