Receptor
PDB id Resolution Class Description Source Keywords
2WTV 2.4 Å EC: 2.7.11.1 AURORA-A INHIBITOR STRUCTURE HOMO SAPIENS KINASE CELL CYCLE TRANSFERASE PHOSPHOPROTEIN
Ref.: CRYSTAL STRUCTURE OF AN AURORA-A MUTANT THAT MIMICS AURORA-B BOUND TO MLN8054: INSIGHTS INTO SELECTIVITY AND DRUG DESIGN. BIOCHEM.J. V. 427 19 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1392;
A:1393;
B:1392;
B:1393;
B:1400;
C:1393;
C:1394;
D:1392;
D:1393;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
DMS A:1394;
B:1391;
 Invalid;
Invalid;
 none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
EDO A:1391;
B:1394;
B:1395;
B:1396;
B:1397;
B:1398;
B:1399;
C:1390;
C:1391;
C:1395;
D:1391;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
ZZL A:1390;
B:1390;
C:1392;
D:1390;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Ki = 1.8 nM
476.862 C25 H15 Cl F2 N4 O2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EW9 2.18 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF AURORA A KINASE DOMAIN BOUND TO MK-5108 HOMO SAPIENS TRANSFERASE PROTEIN KINASE INHIBITOR TRANSFERASE-TRANSFERINHIBITOR COMPLEX
Ref.: A CELL BIOLOGIST'S FIELD GUIDE TO AURORA KINASE INH FRONT ONCOL V. 5 285 2015
Members (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 4UZH ic50 = 9800 nM JVE C15 H13 F N4 O c1ccc(c(c1....
2 2C6E - HPM C28 H31 N7 O4 COc1cc2c(c....
3 3H0Y ic50 = 0.006 uM 48B C23 H17 Cl F N5 O2 c1ccc(c(c1....
4 4B0G ic50 = 0.015 uM VEK C19 H21 Br N8 O Cc1cc(no1)....
5 4JBP ic50 = 41 nM YPH C34 H36 N6 O4 c1ccc(cc1)....
6 3H10 - 97B C30 H25 Cl F2 N6 O CN1CCN(CC1....
7 1MQ4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 5EW9 Ki < 0.01 nM 5VC C22 H21 Cl F N3 O3 S c1cc(nc(c1....
9 4CEG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 3DJ6 - AK6 C25 H24 N4 O3 S COc1ccc(cc....
11 2WQE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
12 3FDN ic50 = 0.033 uM MMH C21 H22 N6 O3 Cc1c(c([nH....
13 4J8M ic50 = 48 nM CJ5 C26 H25 F3 N8 O c1cc(cc(c1....
14 5DR9 - 5E2 C16 H9 Br Cl N O2 c1cc(cc(c1....
15 4DEA ic50 = 256 nM NHI C18 H14 N4 O4 c1cc(ccc1C....
16 5DN3 Kd = 3.77 uM 5DN C16 H9 Br F N O2 c1cc(cc(c1....
17 4DEE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 5DNR - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 3UOD Kd = 49 nM 0C3 C18 H13 F3 N4 O2 c1ccc(c(c1....
20 3EFW - AK8 C25 H21 F3 N6 O2 Cc1cc(ccc1....
21 5DT0 - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
22 3UO4 Kd = 299 nM 0C0 C23 H18 N4 O2 c1ccc(cc1)....
23 3UP2 Kd = 40 nM 0C8 C18 H13 F3 N4 O3 c1ccc(c(c1....
24 5DR2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
25 3DJ5 - AK5 C21 H20 Br N5 O3 S COc1ccc(cc....
26 3UOL ic50 = 3.1 nM 0C7 C17 H13 Cl N8 c1ccc(c(c1....
27 3D14 ic50 = 22 nM AK1 C19 H15 F3 N6 O S2 c1cc(cc(c1....
28 4BN1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 2NP8 ic50 = 42 nM CC3 C21 H18 F3 N5 O c1cc(cc(c1....
30 4JBQ - VX6 C23 H28 N8 O S Cc1cc([nH]....
31 5DRD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
32 5DPV - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
33 4UYN ic50 = 2 nM Y3M C25 H22 N4 O4 S CCOC(=O)c1....
34 5DT3 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
35 2WTV Ki = 1.8 nM ZZL C25 H15 Cl F2 N4 O2 c1cc(c(c(c....
36 3O50 - LJE C24 H17 F3 N4 O2 Cc1cc(ccc1....
37 2J4Z ic50 = 65 nM 626 C23 H24 N6 O2 S CN1CCN(CC1....
38 3LAU ic50 = 0.044 uM OFI C17 H17 N3 O2 CCCC(=O)Nc....
39 3DAJ ic50 = 2.9 uM FXG C22 H29 N7 O2 CCCCNC(=O)....
40 4JBO ic50 = 24 nM WPH C31 H32 N6 O3 CN(C)CCOc1....
41 2C6D - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
42 3K5U ic50 = 309 nM PFQ C20 H17 N3 O2 c1ccc(cc1)....
70% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 4UZH ic50 = 9800 nM JVE C15 H13 F N4 O c1ccc(c(c1....
2 2C6E - HPM C28 H31 N7 O4 COc1cc2c(c....
3 3H0Y ic50 = 0.006 uM 48B C23 H17 Cl F N5 O2 c1ccc(c(c1....
4 4B0G ic50 = 0.015 uM VEK C19 H21 Br N8 O Cc1cc(no1)....
5 4JBP ic50 = 41 nM YPH C34 H36 N6 O4 c1ccc(cc1)....
6 3H10 - 97B C30 H25 Cl F2 N6 O CN1CCN(CC1....
7 1MQ4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 5EW9 Ki < 0.01 nM 5VC C22 H21 Cl F N3 O3 S c1cc(nc(c1....
9 4CEG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 3DJ6 - AK6 C25 H24 N4 O3 S COc1ccc(cc....
11 2WQE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
12 3FDN ic50 = 0.033 uM MMH C21 H22 N6 O3 Cc1c(c([nH....
13 4J8M ic50 = 48 nM CJ5 C26 H25 F3 N8 O c1cc(cc(c1....
14 5DR9 - 5E2 C16 H9 Br Cl N O2 c1cc(cc(c1....
15 4DEA ic50 = 256 nM NHI C18 H14 N4 O4 c1cc(ccc1C....
16 5DN3 Kd = 3.77 uM 5DN C16 H9 Br F N O2 c1cc(cc(c1....
17 4DEE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 5DNR - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 3UOD Kd = 49 nM 0C3 C18 H13 F3 N4 O2 c1ccc(c(c1....
20 3EFW - AK8 C25 H21 F3 N6 O2 Cc1cc(ccc1....
21 5DT0 - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
22 3UO4 Kd = 299 nM 0C0 C23 H18 N4 O2 c1ccc(cc1)....
23 3UP2 Kd = 40 nM 0C8 C18 H13 F3 N4 O3 c1ccc(c(c1....
24 5DR2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
25 3DJ5 - AK5 C21 H20 Br N5 O3 S COc1ccc(cc....
26 3UOL ic50 = 3.1 nM 0C7 C17 H13 Cl N8 c1ccc(c(c1....
27 3D14 ic50 = 22 nM AK1 C19 H15 F3 N6 O S2 c1cc(cc(c1....
28 4BN1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 2NP8 ic50 = 42 nM CC3 C21 H18 F3 N5 O c1cc(cc(c1....
30 4JBQ - VX6 C23 H28 N8 O S Cc1cc([nH]....
31 5DRD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
32 5DPV - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
33 4UYN ic50 = 2 nM Y3M C25 H22 N4 O4 S CCOC(=O)c1....
34 5DT3 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
35 2WTV Ki = 1.8 nM ZZL C25 H15 Cl F2 N4 O2 c1cc(c(c(c....
36 3O50 - LJE C24 H17 F3 N4 O2 Cc1cc(ccc1....
37 2J4Z ic50 = 65 nM 626 C23 H24 N6 O2 S CN1CCN(CC1....
38 3LAU ic50 = 0.044 uM OFI C17 H17 N3 O2 CCCC(=O)Nc....
39 3DAJ ic50 = 2.9 uM FXG C22 H29 N7 O2 CCCCNC(=O)....
40 4JBO ic50 = 24 nM WPH C31 H32 N6 O3 CN(C)CCOc1....
41 2C6D - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
42 3K5U ic50 = 309 nM PFQ C20 H17 N3 O2 c1ccc(cc1)....
50% Homology Family (492)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 2E9O ic50 = 20 nM A58 C25 H27 N3 O2 CC1CCC(CC1....
2 2WMQ - ZYQ C9 H11 N3 O2 S CC(=O)Nc1n....
3 2BRO ic50 = 1.4 uM DF2 C21 H20 N4 O2 c1ccc(cc1)....
4 2QHN ic50 = 980 nM 582 C13 H13 N3 O CCN1c2cccc....
5 4RVM ic50 = 1 nM 3X7 C23 H21 N5 c1cc(ccc1C....
6 5DLS ic50 = 4.4 nM 5CV C31 H34 N6 O3 CC(C)(CN(C....
7 3TKI ic50 = 0.05 nM S25 C20 H23 N7 O2 S c1cnc(cc1N....
8 2YM5 ic50 = 0.43 uM YM5 C18 H21 N5 O2 c1cc(cc(c1....
9 4HYH ic50 = 1 nM 1AM C22 H22 N6 O3 S COc1ccc2c(....
10 1NVS Ki = 15 nM UCM C24 H15 N3 O3 c1ccc2c(c1....
11 2YDK ic50 = 0.007 uM YDK C17 H20 N4 O2 S c1ccc(cc1)....
12 3OT3 ic50 = 0.005 uM 22K C16 H20 Br N7 Cn1cc(cn1)....
13 2HXQ ic50 = 144 nM 373 C24 H26 N4 O c1ccc2c(c1....
14 2QHM ic50 = 660 nM 7CS C16 H19 N3 O2 CN1[C@H]2C....
15 2BRH ic50 = 22 uM DFW C20 H15 N3 O3 c1ccc(cc1)....
16 2R0U ic50 = 1 nM M54 C25 H22 N4 O2 c1cc(cc(c1....
17 1NVR Ki = 7.8 nM STU C28 H26 N4 O3 C[C@@]12[C....
18 3OT8 ic50 = 0.009 uM MI5 C19 H22 N8 S Cc1cc(sn1)....
19 2YM4 ic50 = 1.5 uM 4YM C21 H22 N6 O3 CCOC(=O)c1....
20 4HYI ic50 = 2 nM 1AO C21 H20 N6 O S c1ccc2c(c1....
21 4RVL ic50 = 41.7 nM 3XL C17 H10 N4 O c1ccc(c(c1....
22 2XF0 ic50 = 30 uM 4UB C15 H11 N5 c1ccc(cc1)....
23 2YM6 ic50 = 0.88 uM YM6 C14 H16 N6 O c1cncc2c1c....
24 4QYG ic50 = 0.0041 uM 3DW C22 H21 N5 O2 CN1CCN(CC1....
25 3TKH ic50 = 47 nM 07S C23 H27 N7 O2 S c1cc(cnc1)....
26 2XEZ ic50 = 1.5 uM XEZ C12 H9 N7 c1c[nH]nc1....
27 2HXL ic50 = 12 nM 422 C23 H24 N6 c1cc2c(cc1....
28 5F4N ic50 = 2.2 nM 5UY C17 H19 N7 O3 COC(=O)c1c....
29 2C3J Ki = 0.659 uM DBQ C11 H11 N5 O2 c1c[nH]c2c....
30 2YM7 ic50 = 0.13 uM YM7 C15 H18 N8 c1c(ncnc1N....
31 2X8I ic50 = 0.19 uM X8I C17 H13 N3 O2 CC1=CC2=NN....
32 2YDJ ic50 = 0.005 uM YDJ C17 H19 F N4 O2 S c1cc(cc(c1....
33 4QYE ic50 = 1.2 uM 3DL C17 H12 N2 O3 c1cc(cc(c1....
34 2BRG ic50 = 6.1 uM DFY C21 H19 N3 O2 CN(CCO)c1c....
35 2CGU ic50 = 13.4 uM 3A3 C17 H13 N O7 c1cc-2c(cc....
36 2WMR ic50 = 52 uM ZYR C10 H10 N2 O S C1CCc2c(c3....
37 3PA5 ic50 = 2 nM C73 C17 H19 Cl N4 O2 S c1cc(ccc1c....
38 2WMV ic50 = 9.2 uM ZYV C10 H14 N6 O c1[nH]c2c(....
39 2CGX ic50 = 15.6 uM 3D3 C7 H8 N6 O S c1nc(c2c(n....
40 4QYF - 3DV C17 H13 N3 O3 c1cc(cc(c1....
41 3JVS Ki = 0.146 uM AGY C22 H22 N4 O4 CC(C)(C)c1....
42 2WMW ic50 = 0.39 uM ZYW C11 H14 Br N5 O c1c2c(c(cn....
43 2BR1 Ki = 7.2 uM PFP C22 H21 N3 O4 COc1ccc(cc....
44 2C3L Ki = 0.026 uM IDZ C14 H10 N4 c1ccc2c(c1....
45 2X8E ic50 = 0.014 uM X8E C16 H12 N4 O CC1=CC2=NN....
46 2X8D ic50 = 0.8 uM X8D C11 H9 N3 O CC1=CC2=NN....
47 2YEX ic50 = 0.0001 uM YEX C15 H12 N4 O CC1=CC2=NN....
48 2BRM Ki = 1.3 uM DFZ C20 H18 N4 O c1ccc(cc1)....
49 1NVQ Ki = 5.6 nM UCN C28 H26 N4 O4 C[C@@]12[C....
50 3PA4 ic50 = 3 nM C72 C19 H19 Cl N4 O S c1cc(ccc1c....
51 1JSV - U55 C10 H11 N5 O2 S c1cc(ccc1N....
52 1OIQ ic50 = 2.9 uM HDU C14 H13 N5 O Cc1c(n2ccc....
53 2W17 ic50 = 0.002 uM I19 C24 H30 F N7 O Cc1ncc(n1C....
54 2VTP ic50 = 0.003 uM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
55 1JVP ic50 = 1.6 uM LIG C15 H11 N3 c1ccc-2c(c....
56 1FVT - 106 C14 H9 Br N4 O3 S c1cc(ccc1/....
57 4KD1 - 1QK C21 H29 N6 O2 CCc1cnn2c1....
58 3LE6 ic50 = 0.035 uM 2BZ C17 H10 Cl N5 O2 Cc1c-2nc(c....
59 2VTI ic50 = 0.66 uM LZ3 C14 H12 N4 O3 S c1ccc2c(c1....
60 3LFS Ki = 2.5 uM A07 C17 H16 Cl N3 O CCCC(=O)Nc....
61 1PXI - CK1 C8 H5 Cl2 N3 S c1cnc(nc1c....
62 4LYN - 1YG C20 H23 N3 O2 S2 C[C@@H](c1....
63 1YKR ic50 = 0.56 uM 628 C20 H14 Cl2 N4 O3 S c1cc(c(c(c....
64 1PXN Ki ~ 0.32 uM CK6 C15 H15 N5 O S Cc1c(sc(n1....
65 2R3J ic50 = 10 nM SCJ C18 H14 Br N5 c1ccc(cc1)....
66 3IG7 ic50 = 9 nM EFP C18 H22 N4 O3 CC(=O)NC1C....
67 2VTS ic50 = 0.03 uM LZC C16 H23 N7 CC(C)Nc1cc....
68 1P2A ic50 = 12 nM 5BN C17 H15 F N4 O c1cc([nH]c....
69 2BHE ic50 = 1 uM BRY C16 H9 Br N2 O2 c1ccc2c(c1....
70 3UNK ic50 = 15 uM 0BY C17 H13 Cl N4 O2 c1ccc(c(c1....
71 2VTQ ic50 = 0.14 uM LZA C16 H17 F2 N5 O2 c1cc(c(c(c....
72 2C68 ic50 = 1.8 uM CT6 C18 H15 Br N5 c1cc(cc(c1....
73 3TIZ - 3TI C17 H13 N O2 c1ccc2c(c1....
74 3PXY ic50 = 5.9 uM JWS C10 H11 N5 O2 COc1ccc(c(....
75 2R3M ic50 = 10 nM SCX C19 H17 F2 N7 CCc1cnn2c1....
76 5JQ5 Kd = 2341 nM I74 C22 H30 N6 O CC(C)c1cnn....
77 2C6O - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
78 1V1K Ki = 35 uM 3FP C22 H23 F4 N5 O2 CN(C)C[C@H....
79 2VTJ ic50 = 1.9 uM LZ4 C10 H9 Cl N4 O2 S c1cc(ccc1N....
80 3EZV - EZV C25 H25 N7 CN1CCN(CC1....
81 3PXZ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
82 1W0X - OLO C15 H18 N6 O Cn1cnc2c1n....
83 2XMY Ki = 0.11 nM CDK C18 H21 N5 O4 S2 CC1=C(SC(=....
84 2UZO ic50 = 18 uM C62 C14 H10 N2 O5 S2 c1cc(ccc1c....
85 1KE7 ic50 = 8.9 nM LS3 C20 H15 N3 O4 S c1cc2c(cc1....
86 1DM2 - HMD C11 H10 Br N5 O2 C1CNC(=O)C....
87 1DI8 ic50 = 1 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
88 5JQ8 - I73 C22 H30 N6 O CC(C)c1cnn....
89 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
90 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
91 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
92 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
93 1PXP Ki ~ 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
94 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]/N=C/1N....
95 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
96 5K4J - 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
97 3PJ8 - 404 C19 H26 N6 O CC[C@H](CO....
98 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
99 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
100 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
101 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
102 5IEX - 6AF C17 H21 Br N4 O3 S C[C@H]([C@....
103 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
104 3LFN Ki = 3160 nM A27 C23 H21 N3 O2 CCCC(=O)Nc....
105 3PY1 Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
106 2A4L ic50 = 0.4 uM RRC C19 H26 N6 O CC[C@H](CO....
107 1Y8Y ic50 = 2 uM CT7 C13 H11 Cl N4 O2 S CS(=O)(=O)....
108 1OIR ic50 = 0.032 uM HDY C23 H26 N6 O2 Cc1c(n2ccc....
109 1PXJ - CK2 C9 H10 N4 S Cc1c(sc(n1....
110 2VTO ic50 = 0.14 uM LZ8 C17 H13 F N4 O2 c1ccc(cc1)....
111 2BTR ic50 = 95 nM U73 C13 H15 N3 O S CC(C)C1=CN....
112 2VTA ic50 = 185 uM LZ1 C7 H6 N2 c1ccc2c(c1....
113 3EZR - EZR C26 H27 N7 O CN1CCN(CC1....
114 3ULI ic50 = 0.07 uM 1N3 C21 H25 Br N6 O2 COc1ccc(cc....
115 2DS1 ic50 = 6.4 nM 1CD C22 H21 N5 O3 C[C@@H]1C[....
116 5FP5 - 1Y6 C7 H5 F O2 c1cc(ccc1C....
117 2VTH ic50 = 120 uM LZ2 C10 H9 N O3 S c1cc2c(ccc....
118 1KE5 ic50 = 560 nM LS1 C16 H15 N3 O3 S CNS(=O)(=O....
119 3FZ1 - B98 C13 H15 N3 O2 S COc1ccc2c(....
120 1WCC ic50 = 350 uM CIG C4 H4 Cl N3 c1c(nc(cn1....
121 1E1V Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
122 2VV9 ic50 = 0.017 uM IM9 C23 H29 N7 O2 Cc1ncc(n1C....
123 5IEV - R0N C18 H23 F3 N4 O3 S C[C@H]([C@....
124 4D1X - ESJ C11 H8 N2 O3 S2 c1cc2c(cc1....
125 2BTS ic50 = 20 nM U32 C12 H15 N3 O2 S2 CC(C)c1cnc....
126 1URW ic50 < 0.003 uM I1P C21 H24 N8 O2 S CN(C)CCCNS....
127 5FP6 - MFZ C11 H7 Cl2 N O c1cc(c2c(c....
128 1CKP - PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
129 1KE6 ic50 = 5.7 nM LS2 C17 H15 N5 O3 S2 CNS(=O)(=O....
130 2C6K ic50 = 0.73 uM DT2 C17 H21 N7 O2 S c1cc(ccc1N....
131 2R3Q - 5SC C19 H16 Br N5 O Cc1ccccc1c....
132 1OIT ic50 < 0.003 uM HDT C17 H14 N6 O2 S c1ccn2c(c1....
133 3NS9 ic50 = 0.003 uM NS9 C20 H27 N5 O3 CC(C)c1cnn....
134 1H01 ic50 = 22 uM FAL C21 H23 Cl2 N5 O2 CN(C)C[C@H....
135 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
136 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S C[C@H](CO)....
137 2R3F ic50 = 500 nM SC8 C18 H13 Cl2 N5 c1cc(c(c(c....
138 1GII - 1PU C17 H16 N4 O2 c1ccnc(c1)....
139 2R64 ic50 = 0.03 uM 740 C23 H27 N5 O3 S c1cc(ccc1C....
140 5A14 - LQ5 C24 H26 F3 N7 O2 CN1CCN(CC1....
141 2C6L ic50 = 0.27 uM DT4 C17 H22 N8 O2 S c1cc(ccc1N....
142 2W06 - FRV C18 H20 N6 O2 S Cc1ncc(n1C....
143 4EZ7 - STU C28 H26 N4 O3 C[C@@]12[C....
144 5D1J ic50 = 48 nM 56H C17 H24 N4 O2 S2 CC(C)(C)c1....
145 5IEY - 6AE C14 H19 N5 O3 S C[C@H]([C@....
146 2VTT ic50 = 0.044 uM LZD C16 H17 F2 N5 O2 c1cc(c(c(c....
147 2VU3 ic50 = 0.047 uM LZE C16 H17 Cl2 N5 O2 c1cc(c(c(c....
148 2B54 - D05 C20 H15 Cl3 N4 O3 CCc1c2c(n(....
149 1GZ8 - MBP C10 H13 N5 O2 CC(C)C(=O)....
150 3PY0 ic50 = 0.13 uM SU9 C13 H11 N3 O2 COc1ccc2c(....
151 2VTR ic50 = 1.5 uM LZB C10 H10 Cl N5 CC(C)Nc1cc....
152 1E1X Ki = 1.3 uM NW1 C11 H17 N5 O2 C1CCC(CC1)....
153 3UNJ ic50 = 11 uM 0BX C17 H14 N4 O2 c1ccc(cc1)....
154 2A0C - CK9 C19 H26 N6 O2 CC[C@H](CO....
155 3TIY - TIY C11 H8 O5 c1c2c(c(c(....
156 2R3I ic50 = 1000 nM SCF C18 H14 F N5 c1ccc(c(c1....
157 1VYZ ic50 = 290 nM N5B C13 H13 N3 O c1ccc(cc1)....
158 3WBL ic50 = 23 uM PDY C20 H26 N6 O CCOc1ccc(c....
159 4RJ3 ic50 = 93 nM 3QS C22 H28 N6 O COC1CCN(CC....
160 2VTN ic50 = 0.85 uM LZ7 C12 H11 F N4 O2 CC(=O)Nc1c....
161 1AQ1 - STU C28 H26 N4 O3 C[C@@]12[C....
162 2C6M ic50 = 0.35 uM DT5 C17 H20 N6 O3 S c1cc(ccc1N....
163 2R3L ic50 = 100 nM SCW C18 H14 Br N5 c1ccc(cc1)....
164 1H08 - BYP BWP n/a n/a
165 1B38 Kd = 0.254 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
166 2B52 ic50 = 8 nM D42 C21 H23 N7 O2 S Cc1c(sc(n1....
167 1PXL - CK4 C16 H13 F3 N4 S Cc1c(sc(n1....
168 3S2P ic50 = 0.068 uM PMU C17 H22 N4 O3 CC(C)c1cc(....
169 2R3O ic50 = 600 nM 2SC C19 H17 N5 O c1ccc(cc1)....
170 3IGG ic50 = 95 nM EFQ C16 H19 N3 O3 COc1ccc(cc....
171 1R78 ic50 = 3 nM FMD C20 H20 F N3 O4 C[C@H]([C@....
172 2FVD Ki = 0.003 uM LIA C18 H21 F2 N5 O4 S COc1ccc(c(....
173 2VTL ic50 = 97 uM LZ5 C10 H9 N3 O c1ccc(cc1)....
174 1KE9 ic50 = 660 nM LS5 C16 H15 N5 O3 S c1ccc2c(c1....
175 1PYE ic50 = 0.32 uM PM1 C21 H13 F2 N3 O2 c1ccc(cc1)....
176 4EZ3 - 0S0 C11 H10 N4 O4 S c1cc(ccc1/....
177 1H07 ic50 = 3 uM MFP C24 H27 Br N6 O2 Cc1ccc(c(c....
178 2B53 ic50 = 0.6 uM D23 C19 H19 F3 N4 CC(C)(C)Nc....
179 2DUV ic50 = 0.087 uM 371 C19 H17 N O7 S Cc1cc2c(c(....
180 4D1Z - WG8 C13 H10 N2 O3 S c1cc2ccc(n....
181 4ACM Ki = 210 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
182 5LI9 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
183 3A8W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
184 3MB6 ic50 = 100 nM 01I C16 H8 O6 c1cc2c(cc(....
185 5M4F - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
186 5CVH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
187 3BQC ic50 ~ 2 uM EMO C15 H10 O5 Cc1cc2c(c(....
188 5CU2 - 54G C8 H8 O3 Cc1ccc(c(c....
189 5MO5 - 4IH C17 H21 Cl N2 O2 S CS(=O)(=O)....
190 5M4I - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
191 5MP8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
192 5MOV - HC4 C9 H8 O3 c1cc(ccc1C....
193 5MOH - YTX C9 H10 O4 COc1cc(ccc....
194 5CSH Kd = 270 uM 54E C13 H12 Cl N c1ccc(cc1)....
195 3OWL ic50 = 0.67 uM 19E C16 H11 Cl N2 O Cc1cnc(c2c....
196 5H8G ic50 < 0.003 uM 5Y4 C23 H29 N9 O CC(=O)Nc1c....
197 5B0X ic50 = 0.02 uM HCK C18 H14 N2 O4 S COc1ccc(cc....
198 5MO8 Kd = 1.64 uM C98 C26 H26 Cl N3 O4 c1ccc(cc1)....
199 3AT4 Kd = 2.26 nM CCK C20 H20 N6 O2 CC(C)Nc1cc....
200 3OWJ Ki = 0.86 uM 1EL C17 H14 N2 O2 Cc1c2c(c(c....
201 5CU0 - 54R C18 H21 Cl N2 O CC(=O)NCCC....
202 5H8E ic50 < 0.003 uM 5Y3 C21 H25 N9 O CC(=O)Nc1c....
203 3WAR - NIO C6 H5 N O2 c1cc(cnc1)....
204 5MOE Kd = 500 uM OQC C11 H10 Cl N O c1cc(c(cc1....
205 4KWP Ki = 0.04 uM EXX C12 H10 Br4 N2 O3 c1nc2c(n1[....
206 5CSP Kd = 58 uM 54G C8 H8 O3 Cc1ccc(c(c....
207 5CTP - 54R C18 H21 Cl N2 O CC(=O)NCCC....
208 5MOW - BR9 C5 H6 Br N3 c1c(cnc(c1....
209 4UB7 Ki = 2.5 nM 3G5 C16 H8 Br2 O5 c1cc(ccc1C....
210 5MMF - JMB C16 H19 Cl N CCC[NH2+]C....
211 1PJK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
212 3NSZ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
213 3AXW - TID C9 H7 N3 O2 S c1cc(ccc1c....
214 5MO6 - KXZ C19 H21 Cl N2 O3 c1ccc(cc1)....
215 2PVR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
216 3C13 - EMO C15 H10 O5 Cc1cc2c(c(....
217 5CS6 Kd = 630 uM K82 C10 H14 Cl N O CCCOc1ccc(....
218 3PE2 Ki = 0.175 nM E1B C20 H12 N4 O2 C#Cc1cccc(....
219 5CT0 - 54P C16 H18 Cl N O c1ccc(cc1)....
220 5CU6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
221 5M4C - 7EY C16 H14 N2 O2 S2 Cc1ccc(cc1....
222 5MO7 - YRA C16 H17 Cl N2 O c1ccc(cc1)....
223 3OWK ic50 = 1.5 uM 18E C16 H11 Cl N2 O Cc1cnc(c2c....
224 5MMR - H83 C17 H21 Cl N2 c1ccc(cc1)....
225 5MPJ - J2P C15 H17 Cl N CC[NH2+]Cc....
226 5CSV - GAB C7 H7 N O2 c1cc(cc(c1....
227 5MOT - HBD C7 H7 N O2 c1cc(ccc1C....
228 3R0T ic50 = 0.91 nM FU9 C22 H16 F3 N5 O2 c1cc(cc(c1....
229 3PE1 Ki = 0.38 nM 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
230 3JUH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
231 5CLP - 42J C8 H9 Cl2 N c1cc(c(cc1....
232 3H30 Ki = 29.2 uM RFZ C12 H12 Cl2 N2 O4 c1c2c(cc(c....
233 2ZJW ic50 = 0.04 uM REF C14 H6 O8 c1c2c-3c(c....
234 4GRB ic50 = 17 nM 0XG C19 H18 N4 O4 S CN(C)C(=O)....
235 3MB7 ic50 = 200 nM 14I C16 H8 O6 c1cc2c(cc(....
236 5CVF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
237 5CX9 - 551 C20 H23 Cl N2 O3 COC(=O)CC(....
238 3FHR - P4O C21 H16 N4 O c1ccc2c(c1....
239 3R1N - 05B C22 H21 N5 O3 c1cc2c(cc1....
240 3SHE - I85 C24 H22 F3 N5 O2 c1cc(cc(c1....
241 3BWJ ic50 = 2.6 uM ARX C28 H47 N15 O7 [H]/N=C(N)....
242 3AGL Ki = 16 nM A03 C37 H63 N17 O9 [H]/N=C(N)....
243 1RE8 Ki = 0.3 nM BD2 C27 H26 N2 O6 c1ccc(c(c1....
244 1REJ Ki = 5 nM B1L C20 H22 N2 O5 c1cc(ccc1C....
245 5IZJ - 6J9 C10 H13 N5 c1c[nH]c2c....
246 3AG9 Ki = 9 nM A02 C40 H70 N18 O9 [H]/N=C(N)....
247 5IZF Kd = 1.7 nM 6J9 AZ1 DAR ACA DAR NH2 n/a n/a
248 2VZ6 - FEF C20 H19 N3 O4 c1ccc2c(c1....
249 2Z7Q - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
250 2Z7R ic50 = 3 nM STU C28 H26 N4 O3 C[C@@]12[C....
251 4UZH ic50 = 9800 nM JVE C15 H13 F N4 O c1ccc(c(c1....
252 2C6E - HPM C28 H31 N7 O4 COc1cc2c(c....
253 3H0Y ic50 = 0.006 uM 48B C23 H17 Cl F N5 O2 c1ccc(c(c1....
254 4B0G ic50 = 0.015 uM VEK C19 H21 Br N8 O Cc1cc(no1)....
255 4JBP ic50 = 41 nM YPH C34 H36 N6 O4 c1ccc(cc1)....
256 3H10 - 97B C30 H25 Cl F2 N6 O CN1CCN(CC1....
257 1MQ4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
258 5EW9 Ki < 0.01 nM 5VC C22 H21 Cl F N3 O3 S c1cc(nc(c1....
259 4CEG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
260 3DJ6 - AK6 C25 H24 N4 O3 S COc1ccc(cc....
261 2WQE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
262 3FDN ic50 = 0.033 uM MMH C21 H22 N6 O3 Cc1c(c([nH....
263 4J8M ic50 = 48 nM CJ5 C26 H25 F3 N8 O c1cc(cc(c1....
264 5DR9 - 5E2 C16 H9 Br Cl N O2 c1cc(cc(c1....
265 4DEA ic50 = 256 nM NHI C18 H14 N4 O4 c1cc(ccc1C....
266 5DN3 Kd = 3.77 uM 5DN C16 H9 Br F N O2 c1cc(cc(c1....
267 4DEE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
268 3UOD Kd = 49 nM 0C3 C18 H13 F3 N4 O2 c1ccc(c(c1....
269 3EFW - AK8 C25 H21 F3 N6 O2 Cc1cc(ccc1....
270 5DT0 - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
271 3UO4 Kd = 299 nM 0C0 C23 H18 N4 O2 c1ccc(cc1)....
272 3UP2 Kd = 40 nM 0C8 C18 H13 F3 N4 O3 c1ccc(c(c1....
273 5DR2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
274 3DJ5 - AK5 C21 H20 Br N5 O3 S COc1ccc(cc....
275 3UOL ic50 = 3.1 nM 0C7 C17 H13 Cl N8 c1ccc(c(c1....
276 3D14 ic50 = 22 nM AK1 C19 H15 F3 N6 O S2 c1cc(cc(c1....
277 4BN1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
278 2NP8 ic50 = 42 nM CC3 C21 H18 F3 N5 O c1cc(cc(c1....
279 4JBQ - VX6 C23 H28 N8 O S Cc1cc([nH]....
280 5DRD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
281 5DPV - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
282 4UYN ic50 = 2 nM Y3M C25 H22 N4 O4 S CCOC(=O)c1....
283 5DT3 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
284 2WTV Ki = 1.8 nM ZZL C25 H15 Cl F2 N4 O2 c1cc(c(c(c....
285 3O50 - LJE C24 H17 F3 N4 O2 Cc1cc(ccc1....
286 2J4Z ic50 = 65 nM 626 C23 H24 N6 O2 S CN1CCN(CC1....
287 3LAU ic50 = 0.044 uM OFI C17 H17 N3 O2 CCCC(=O)Nc....
288 3DAJ ic50 = 2.9 uM FXG C22 H29 N7 O2 CCCCNC(=O)....
289 4JBO ic50 = 24 nM WPH C31 H32 N6 O3 CN(C)CCOc1....
290 2C6D - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
291 4KS7 - X4Z C25 H28 N8 O S Cc1nc2ccsc....
292 1M2P - HNA C14 H7 N O6 c1cc2c(c(c....
293 1LPU - BEN C7 H8 N2 [H]/N=C(c1....
294 2QC6 ic50 = 0.1 uM G12 C10 H6 Br2 O3 CC1=C(C(=O....
295 4ANM ic50 = 28 nM WUL C15 H14 Br N3 O3 c1cc2c(cc1....
296 1DAW - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
297 4RLK - E91 C21 H14 N2 O2 c1ccc2c(c1....
298 2OXD - K32 C7 H2 Br4 N2 O c12c(c(c(c....
299 2PVM Ki = 0.36 uM P29 C17 H15 N9 c1ccc(cc1)....
300 1J91 - TBS C6 H Br4 N3 c12c(c(c(c....
301 4DGO ic50 = 0.57 uM 0JW C10 H10 N2 O3 c1cc(c(cc1....
302 3FL5 - TXQ C14 H8 O6 c1cc(c(c2c....
303 3PWD ic50 = 0.22 uM CZ0 C14 H9 N O5 CC1=CC(=O)....
304 3KXH - K66 C11 H9 Br4 N3 O2 CN(C)c1nc2....
305 4DGM ic50 = 1.2 uM AGI C15 H10 O5 c1cc(ccc1C....
306 3PVG - K68 C9 H4 Br4 N2 O2 c1nc2c(n1C....
307 1ZOG Ki = 0.07 uM K37 C8 H4 Br4 N2 S CSc1[nH]c2....
308 2PVJ Ki = 0.005 uM P44 C19 H21 N7 c1ccc(cc1)....
309 4DGN ic50 = 0.35 uM LU2 C15 H10 O6 c1cc(c(cc1....
310 1M2Q - MNX C13 H7 N O6 c1cc(c2c(c....
311 2OXY - K17 C7 H2 Br4 N2 c1[nH]c2c(....
312 1M2R - MNY C14 H10 N2 O4 c1cc(c2c(c....
313 3KXN - K8X C7 H2 I4 N2 c1[nH]c2c(....
314 2PVL Ki = 0.024 uM P55 C18 H20 N8 CCN1CCN(CC....
315 1LP4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
316 2PVN Ki = 0.00035 uM P63 C20 H16 N8 O CC(=O)Nc1c....
317 3KXG - K6X C7 H Br5 N2 c12c(c(c(c....
318 3BE9 Ki = 24 nM P04 C19 H21 N7 O c1cc2cc(c1....
319 2OXX - K22 C7 H2 Br4 N2 S c12c(c(c(c....
320 3KXM - K74 C11 H9 Br4 N3 O S CNC(=O)CSc....
321 1LR4 - BEN C7 H8 N2 [H]/N=C(c1....
322 1OM1 Ki = 0.17 uM IQA C17 H12 N2 O3 c1ccc2c(c1....
323 1ZOH Ki = 0.1 uM K44 C10 H7 Br4 N3 C[N@@]1CCn....
324 2PVK Ki = 0.008 uM P45 C19 H14 Cl N7 c1ccc(cc1)....
325 1DAY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
326 1JKL - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
327 3F5G - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
328 5AUZ ic50 = 98 uM GEN C15 H10 O5 c1cc(ccc1C....
329 1P4F - DRG C12 H11 N3 c1ccc-2c(c....
330 4TXC Kd = 0.24 uM 38G C24 H27 N5 O3 CN(C)CCN[C....
331 2YAK ic50 = 2 nM OSV C27 H31 F N4 O3 Ru S4 CC(C)Oc1cc....
332 5AUY ic50 = 1.6 uM MRI C15 H10 O7 c1cc(c(cc1....
333 3EH9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
334 1IG1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
335 5AUW ic50 = 8.9 uM QUE C15 H10 O7 c1cc(c(cc1....
336 5AV2 - KMP C15 H10 O6 c1cc(ccc1C....
337 3EHA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
338 5AV3 - KMP C15 H10 O6 c1cc(ccc1C....
339 5AUT Kd = 6.7 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
340 5AV0 ic50 = 280 uM 47X C15 H10 O5 c1cc(c(cc1....
341 1JKK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
342 3F5U - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
343 5AV4 - GEN C15 H10 O5 c1cc(ccc1C....
344 5AUX ic50 = 10 uM KMP C15 H10 O6 c1cc(ccc1C....
345 5AUV ic50 = 31 uM AGI C15 H10 O5 c1cc(ccc1C....
346 2XK6 - EQH C18 H21 N3 O2 S c1csc(c1C2....
347 2WQO - VGK C21 H20 N2 O5 COc1cc(cc(....
348 2XKE ic50 = 4.2 uM WI2 C17 H20 N4 O3 COc1cccc(c....
349 2XNN - 430 C21 H16 F3 N3 O2 S C[C@H](c1c....
350 2XK7 ic50 = 1.5 uM 30E C21 H28 N4 O5 CC[C@H]1C[....
351 3QD4 ic50 = 0.00000001 M 3Q6 C22 H30 N8 O2 C[C@@H]1C[....
352 3RCJ ic50 = 0.8 uM 3RC C16 H13 N5 c1ccc(cc1)....
353 2PE0 - 39Z C14 H12 N2 O2 CC(c1ccc[n....
354 4CT2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
355 5ACK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
356 3HRC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
357 5LVM - ADE C5 H5 N5 c1[nH]c2c(....
358 5MRD ic50 = 36.4 uM S26 C18 H13 Cl N2 O4 S2 CCOC(=O)C1....
359 3ION ic50 = 8 nM 8H1 C28 H27 N5 O3 COc1cc2c3c....
360 1UU7 ic50 = 14 uM BI2 C27 H26 N4 O2 C[N@@]1CCC....
361 3HRF Kd = 10.3 uM P47 C17 H15 Cl O2 c1ccc(cc1)....
362 3QCS ic50 = 0.00000001 M 3Q1 C15 H17 N7 O c1cc2c(cc1....
363 1H1W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
364 4AW1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
365 2PE2 - 464 C28 H30 N6 O3 c1cc(cc(c1....
366 3H9O ic50 = 70 nM 9BD C19 H19 N5 O3 COCCOc1cc2....
367 1Z5M ic50 = 30 nM LI8 C23 H31 Br N8 O3 CC(C)(C(=O....
368 5HKM ic50 = 0.013 uM 61Y C16 H15 N7 CCc1cc(nc(....
369 3QD0 ic50 = 0.00000001 M 3Q4 C24 H26 N8 O C[C@@H]1CC....
370 3ORZ - BI4 C27 H26 N4 O2 C[N@]1CCC[....
371 5LVN Kd = 20 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
372 2XCH ic50 = 374 nM CKG C22 H25 N7 O c1c2c(nc(n....
373 4AW0 - MJF C18 H15 Cl O5 c1ccc(cc1)....
374 3OTU - BI4 C27 H26 N4 O2 C[N@]1CCC[....
375 3QCX ic50 = 0.00000001 M 3Q2 C16 H19 N7 O C[C@@H]1CO....
376 1UU3 ic50 = 0.75 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
377 5LVL Kd = 1.25 uM 537 C14 H8 N2 O c1ccc2c(c1....
378 3QC4 ic50 = 0.002 uM MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
379 3QCY ic50 = 0.00000001 M 3Q3 C22 H22 N8 O2 c1ccc(cc1)....
380 1UU8 ic50 = 9 uM BI1 C25 H24 N4 O2 CN(C)CCCn1....
381 4CT1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
382 4A07 - AZ7 C17 H13 Cl3 N2 O2 c1cc(ccc1[....
383 2JDO ic50 = 0.23 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
384 1O6K - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
385 3E88 Ki = 2 nM G96 C24 H27 N7 O3 CCn1c2cc(n....
386 3D0E ic50 = 13 nM G93 C21 H27 N7 O3 CCn1c2c(cn....
387 2X39 ic50 = 30 nM X39 C19 H21 Cl N6 O c1cc(ccc1C....
388 3E87 - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
389 4QMP ic50 = 0.014 uM DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
390 4U8Z - 3FE C17 H15 N5 O c1cc(cc(c1....
391 4QMX ic50 = 11 uM H8H C27 H32 Cl N5 O5 CN1CCN(CC1....
392 4QMT ic50 = 0.01 uM H1N C29 H32 N4 O3 S CCS(=O)(=O....
393 4QMW ic50 = 0.086 uM KS1 C17 H17 N7 c1c[nH]c2c....
394 3A7H - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
395 4QML - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
396 4QO9 ic50 = 0.16 uM 627 C26 H30 N6 O3 CN1CCN(CC1....
397 4QMQ ic50 = 0.26 uM 34U C24 H27 N5 O2 COCCOc1ccc....
398 4NUS ic50 = 0.005 uM 2NK C22 H21 F2 N3 O CN1CCN(CC1....
399 4NW6 ic50 = 0.004 uM 2NS C23 H20 N4 O4 COc1cc(cc(....
400 4NW5 ic50 = 0.02 uM 2NR C23 H21 F N2 O5 COc1cccc(c....
401 4EL9 - AFE C21 H20 O10 C[C@H]1[C@....
402 5D9L ic50 = 0.024 uM 583 C15 H12 N2 O2 c1cc(ccc1c....
403 4FII - ARG PRO LYS PRO LEU VAL ASP PRO n/a n/a
404 4JDK - ARG ARG ARG ARG SER TRP TYR n/a n/a
405 2W7X ic50 = 138 nM D1A C18 H17 N7 O3 [H]/N=C(N)....
406 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
407 2YCF ic50 = 0.7 nM YCF C19 H24 N10 O3 [H]/N=C(N/....
408 4BDI ic50 = 227.7 uM HAU C14 H19 N3 O2 Cc1ccc(nc1....
409 2YCR ic50 = 69.6 nM HCW C23 H28 N10 O C/C(=NNC1=....
410 2WTJ ic50 = 0.7 uM WTJ C16 H20 N4 O3 S CN(C)CCNC(....
411 2YIT ic50 = 0.29 nM YIT C21 H24 N6 O2 CCC/C(=NNC....
412 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]/N=C(N)....
413 2XK9 ic50 = 0.03 nM XK9 C18 H17 N7 O4 C/C(=NNC(=....
414 2YCS ic50 = 1.36 nM NXP C18 H18 N6 O C/C(=NNC(=....
415 2WTI ic50 = 0.092 uM WTI C18 H15 N3 O3 S c1cc(ccc1c....
416 2YIR ic50 = 0.17 nM YIR C20 H19 N7 O3 [H]/N=C(N)....
417 2XBJ ic50 = 0.86 uM XBJ C23 H27 F N4 O4 CC(C)([C@@....
418 2XM9 ic50 = 0.009 uM LWH C21 H20 N6 O c1ccc2c(c1....
419 2YIQ ic50 = 12.67 nM YIQ C20 H19 N7 O C/C(=NNC(=....
420 2CN5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
421 4FG9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
422 4FG8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
423 5L2T - 6ZZ C23 H30 N8 O CN(C)C(=O)....
424 5L2S - 6ZV C27 H32 F2 N8 CCN1CCN(CC....
425 4AUA ic50 = 7.2 uM 4AU C12 H9 N3 O c1ccc2c(c1....
426 2WEI ic50 = 3.4 nM VGG C17 H21 N5 Cc1cccc(c1....
427 3CQW ic50 = 42 nM CQW C12 H11 Cl N6 c1c(c2c([n....
428 4GV1 ic50 = 3 nM 0XZ C21 H25 Cl N6 O2 c1cc(ccc1[....
429 3MVH ic50 = 0.5 nM WFE C20 H22 F2 N6 O CCc1c[nH]c....
430 3MV5 ic50 = 180 nM XFE C11 H15 N5 Cc1c[nH]c2....
431 3QKL - SMR C29 H40 N4 O5 S CCOCC[N@@]....
432 3QKM ic50 = 0.038 uM SM9 C31 H43 N5 O4 S CCOCCN(C[C....
433 3CQU ic50 = 151 nM CQU C15 H13 N7 Cc1[nH]c(n....
434 3GC0 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
435 3MFU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
436 3C0H - AMP C10 H14 N5 O7 P c1nc(c2c(n....
437 3C0I - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
438 3MFS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
439 3C0G - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
440 3MFR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
441 4OTH ic50 = 9 nM DRN C25 H23 N5 O2 S [H]/N=C(/N....
442 4OTI ic50 = 43 nM MI1 C16 H20 N6 O C[C@@H]1CC....
443 4APP Ki = 0.064 uM N53 C33 H36 N6 O3 CC1(c2c(c(....
444 4NJD ic50 = 0.79 uM NJD C21 H20 N8 O COc1nc(nc(....
445 2YAB - AMP C10 H14 N5 O7 P c1nc(c2c(n....
446 2YAA - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
447 3A62 - STU C28 H26 N4 O3 C[C@@]12[C....
448 3WF9 ic50 = 567 nM FS7 C24 H25 N3 O5 S C[C@H]1CCc....
449 3WF8 ic50 = 232 nM F76 C23 H23 N3 O5 S c1ccc2c(c1....
450 4L3L - 5FI C19 H21 F3 N6 CCc1cncnc1....
451 3WE4 ic50 = 15 nM 5FI C19 H21 F3 N6 CCc1cncnc1....
452 3WF7 ic50 = 206 nM FS9 C18 H17 F3 N6 O c1cc(cc(c1....
453 4L3J - 5FI C19 H21 F3 N6 CCc1cncnc1....
454 3WF6 ic50 = 33 nM FZ9 C18 H16 N6 c1ccc2c(c1....
455 4AU8 ic50 = 551 nM Z3R C11 H8 N2 O2 S3 c1ccc2c(c1....
456 4O0R Ki = 0.036 uM X4Z C25 H28 N8 O S Cc1nc2ccsc....
457 5IME Ki = 4.6 nM 6BZ C22 H22 Cl N7 O2 CC1=NC=CN(....
458 4ZY6 Ki = 5 nM 4T6 C18 H17 Cl N8 c1cc2c(c(c....
459 3Q53 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
460 4EQC ic50 = 0.008 uM XR1 C29 H28 Cl N7 O S CCN1c2c(cn....
461 5JZJ - AN2 C10 H16 N6 O9 P2 c1nc(c2c(n....
462 5AX9 ic50 = 8 nM 4KT C24 H24 N4 O3 COc1ccc(cc....
463 4EQU - G6I C30 H24 F3 N7 O2 Cc1ccc(cc1....
464 4JR7 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
465 4JQE - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
466 4MWH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
467 4LFI - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
468 3GGF - GVD C22 H19 N7 c1ccc2c(c1....
469 4OBQ ic50 = 0.065 uM 2QT C20 H20 F N5 O c1cc2c(cc1....
470 4U43 Kd = 48 uM 3D8 C11 H9 N5 c1cc(cnc1)....
471 3DAK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
472 1QL6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
473 1PHK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
474 5F9E ic50 = 0.46 nM 5VS C23 H21 N5 O2 CC1(NC(=O)....
475 1XJD Ki = 0.33 nM STU C28 H26 N4 O3 C[C@@]12[C....
476 3M2W ic50 < 0.003 uM L8I C23 H21 F N4 O CN1CC2(C1)....
477 3BHY - 7CP C18 H18 Cl2 N4 O Cn1c2c(ccc....
478 2J90 - IZA C18 H16 F N3 O CC(C)(C)c1....
479 5DBX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
480 2VN9 - GVD C22 H19 N7 c1ccc2c(c1....
481 4EJN ic50 = 0.005 uM 0R4 C33 H26 F N7 O2 CC(=O)Nc1c....
482 4WNO ic50 = 160 nM 3RF C20 H19 N7 c1ccc2c(c1....
483 4WNP ic50 = 8 nM 3RJ C22 H20 N8 c1ccc2c(c1....
484 5CI7 ic50 = 120 nM 51W C18 H24 I N7 O c1cc(cc(c1....
485 5M56 - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
486 5M4U - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
487 3OFM - 4B0 C9 H7 Br4 N3 O C(Cn1c2c(c....
488 2V7O - DRN C25 H23 N5 O2 S [H]/N=C(/N....
489 3TXO ic50 = 9 nM 07U C17 H19 N5 CC(C)(CNc1....
490 4USF - 6UI C19 H15 N3 O COc1ccc2cc....
491 1V0P ic50 = 0.13 uM PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
492 1V0O ic50 = 5.5 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ZZL; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 ZZL 1 1
2 97B 0.747475 0.630769
3 A5B 0.625 0.821429
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EW9; Ligand: 5VC; Similar sites found: 351
This union binding pocket(no: 1) in the query (biounit: 5ew9.bio1) has 92 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2D6M LBT 0.001175 0.50422 None
2 4ZU4 4TG 0.004394 0.47637 None
3 5N8V KZZ 0.04067 0.43768 None
4 4ZSI GLP 0.04524 0.42198 None
5 5NTW 98N 0.03399 0.4007 0.77821
6 3LGS SAH 0.04749 0.41539 1.1236
7 3LGS ADE 0.04749 0.41539 1.1236
8 5HCN DAO 0.03063 0.44893 1.14943
9 1IIU RTL 0.04918 0.40967 1.14943
10 5IXK 6EW 0.03567 0.41926 1.31579
11 4WPF 3SN 0.04021 0.40726 1.51515
12 4XMF HSM 0.01523 0.40899 1.63043
13 2QBU SAH 0.03799 0.42048 1.72414
14 4NOS ITU 0.02989 0.44555 1.84502
15 1NHZ 486 0.02302 0.42899 1.84502
16 4KBS PX2 0.02418 0.40536 1.86047
17 4FE2 ADP 0.009314 0.46654 1.96078
18 4FE2 AIR 0.04122 0.43374 1.96078
19 4BQY FNT 0.01196 0.44344 1.98413
20 3KYG 5GP 5GP 0.01466 0.44194 2.20264
21 3VPB ADP 0.002823 0.46205 2.21402
22 3VPC ADP 0.01111 0.4421 2.21402
23 1F52 ADP 0.03701 0.43301 2.21402
24 2PK3 A2R 0.01969 0.43244 2.21402
25 5U5G NAP 0.02299 0.41022 2.21402
26 4PU5 ANP 0.04898 0.40746 2.21402
27 3W68 VIV 0.03918 0.41229 2.25564
28 1ZP9 ATP 0.0001673 0.55749 2.32558
29 3T50 FMN 0.03015 0.42571 2.34375
30 4O4F ATP 0.03248 0.41172 2.41935
31 5HW4 SAM 0.04822 0.41011 2.41935
32 4O4F IHP 0.0395 0.40552 2.41935
33 1OFL NGK GCD 0.0006033 0.542 2.58303
34 5C3R AKG 0.002519 0.48519 2.58303
35 5C3R HMU 0.002519 0.48519 2.58303
36 3ZJX BOG 0.0146 0.4685 2.58303
37 2VVG ADP 0.03525 0.45123 2.58303
38 5C1P ADP 0.04492 0.42826 2.58303
39 2WPX ACO 0.0361 0.4244 2.58303
40 2GVJ DGB 0.03172 0.42187 2.58303
41 3DNT ATP 0.03008 0.4156 2.58303
42 1TMX HGX 0.03945 0.41452 2.58303
43 4Y24 TD2 0.02161 0.44985 2.5974
44 1QY8 RDI 0.0239 0.43699 2.60223
45 5VBC SAH 0.01206 0.45651 2.62009
46 5VAH SAH 0.02202 0.4422 2.62009
47 4NAE 1GP 0.04031 0.44019 2.66667
48 5L83 ASP TRP GLU ILE VAL 0.01304 0.4584 2.67857
49 4QAC KK3 0.04057 0.40497 2.76498
50 1H8S AIC 0.02725 0.4479 2.77778
51 3TDC 0EU 0.0005767 0.54501 2.95203
52 2AWN ADP 0.03329 0.46141 2.95203
53 2VQD AP2 0.00763 0.45332 2.95203
54 2FDW D3G 0.03227 0.44359 2.95203
55 3K5I ADP 0.0135 0.44078 2.95203
56 1I7L ATP 0.02481 0.41967 2.95203
57 2HJR APR 0.04658 0.40632 2.95203
58 3T4L ZEA 0.03305 0.42644 2.96296
59 1WPY BTN 0.03685 0.40489 2.97872
60 4ELG 52J 0.01868 0.42818 3.01205
61 4ELG 52I 0.03922 0.40166 3.01205
62 3NZ1 3NY 0.01896 0.45516 3.06513
63 1SN0 T44 0.02457 0.44302 3.07692
64 4LA7 A1O 0.01597 0.42643 3.10881
65 5W2I ADP 0.03248 0.41398 3.11284
66 5W2I I3P 0.03248 0.41398 3.11284
67 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 0.01168 0.43287 3.19149
68 4AZ3 S35 0.03007 0.41799 3.22581
69 4WOE ADP 0.004154 0.50265 3.32103
70 5KJW 53C 0.005764 0.4921 3.32103
71 3TDV GDP 0.006429 0.46389 3.32103
72 5LUN OGA 0.01949 0.46069 3.32103
73 1HXD BTN 0.01244 0.44885 3.32103
74 1SQI 869 0.01639 0.44579 3.32103
75 4U98 ACP 0.01644 0.44572 3.32103
76 3B6R CRN 0.01023 0.43536 3.32103
77 4NS3 NAD 0.02124 0.43362 3.32103
78 3B6R ADP 0.03013 0.43156 3.32103
79 5LUN ARG 0.01261 0.42883 3.32103
80 3RDE OYP 0.04625 0.4087 3.32103
81 1MV8 GDX 0.03967 0.40755 3.32103
82 4WUJ FMN 0.02462 0.43029 3.40136
83 3EFS BTN 0.01714 0.43844 3.43348
84 1QY1 PRZ 0.00115 0.49099 3.44828
85 4ZBY URA 0.02862 0.45783 3.60825
86 3JU6 ANP 0.0136 0.47 3.69004
87 4OCV ANP 0.005985 0.46201 3.69004
88 5MRH Q9Z 0.01633 0.46089 3.69004
89 1S4M LUM 0.01258 0.42648 3.69004
90 4XTX 590 0.03496 0.40015 3.7037
91 3E85 BSU 0.01228 0.40512 3.79747
92 1UI0 URA 0.01448 0.47774 3.90244
93 1EWJ BLM 0.01451 0.41501 3.96825
94 4B4Q A2G GAL NAG FUC GAL GLC 0.04024 0.4418 3.97351
95 2XG5 EC2 0.004576 0.49436 4.04624
96 2XG5 EC5 0.004576 0.49436 4.04624
97 4ZS4 ATP 0.0001651 0.54204 4.05904
98 3PDT ADP 0.0007669 0.52159 4.05904
99 2IF8 ADP 0.009373 0.47962 4.05904
100 4DFU QUE 0.03714 0.4439 4.05904
101 3VOT ADP 0.04493 0.43158 4.05904
102 5HMR FDZ 0.03637 0.42714 4.05904
103 2SFP PPI 0.038 0.4261 4.05904
104 2ZTG A5A 0.0457 0.41894 4.05904
105 3W0O ADP 0.03099 0.40438 4.05904
106 3W0O HY0 0.03099 0.40438 4.05904
107 3EB9 FLC 0.02326 0.42876 4.13534
108 5K53 STE 0.008585 0.45073 4.19847
109 4XPL ACO 0.03923 0.42248 4.29448
110 3TAY MN0 0.0237 0.41826 4.29448
111 3W5J GDP 0.02657 0.45973 4.41176
112 1TZD ADP 0.015 0.46633 4.42804
113 5LX9 OLB 0.02484 0.43932 4.42804
114 5LX9 OLA 0.0333 0.42921 4.42804
115 5LJB RTL 0.02257 0.42942 4.44444
116 1W2D ADP 0.006056 0.48128 4.5283
117 1W2D 4IP 0.04786 0.40156 4.5283
118 2BKK ADP 0.01984 0.44822 4.54545
119 1ID0 ANP 0.03257 0.43614 4.60526
120 1F4X MGS 0.02274 0.46043 4.7619
121 5I35 ANP 0.001289 0.50476 4.79705
122 5F2T PLM 0.03582 0.4275 4.79705
123 5F6U 5VK 0.006881 0.47889 5.09554
124 4FOU C2E 0.03643 0.4334 5.12821
125 5HA0 LTD 0.02783 0.4127 5.12821
126 1J78 OLA 0.04546 0.42808 5.16605
127 2ZMF CMP 0.03552 0.422 5.29101
128 5FUI APY 0.005489 0.45 5.30303
129 2OKL BB2 0.04545 0.41907 5.40541
130 5TH5 MET 0.01284 0.4715 5.53506
131 1O44 852 0.01818 0.4 5.55556
132 5MX4 HPA 0.03443 0.44077 5.5794
133 4O9S 2RY 0.007717 0.43878 5.5814
134 4K55 H6P 0.0003208 0.56214 5.64516
135 1GT4 UNA 0.02055 0.44053 5.66038
136 5APK 76E 0.01003 0.42863 5.66038
137 5HZX 2GE 0.005979 0.4816 5.68182
138 4R38 RBF 0.02033 0.43174 5.71429
139 4RYV ZEA 0.006785 0.47849 5.80645
140 4XBT 3ZQ 0.03109 0.42785 5.80645
141 2BVE PH5 0.04229 0.41088 5.88235
142 1TV5 N8E 0.0005582 0.56256 5.90406
143 2PUL ACP 0.0003632 0.53405 5.90406
144 1TQP ATP 0.0001049 0.53368 5.90406
145 1GPM AMP 0.003477 0.49834 5.90406
146 4R78 AMP 0.01767 0.45889 5.90406
147 5U3B 7TD 0.002951 0.44999 5.90406
148 3X01 AMP 0.03726 0.44304 5.90406
149 2ORO 228 0.01881 0.44259 5.90406
150 2CM4 RCL 0.01482 0.43586 6
151 4WN5 MVC 0.02404 0.42278 6.08696
152 4RT1 C2E 0.001752 0.49765 6.25
153 2WPW ACO 0.02679 0.43432 6.27306
154 1SKQ GDP 0.04447 0.4285 6.27306
155 1Q1Y BB2 0.04164 0.42695 6.28272
156 1H65 GDP 0.04685 0.41075 6.2963
157 2GQS ADP 0.01422 0.4491 6.32911
158 1DZK PRZ 0.002527 0.48918 6.36943
159 4UYG 73B 0.04247 0.44039 6.36943
160 5SVV FMN 0.0434 0.41488 6.56934
161 4ANW O92 0.0008885 0.46748 6.64207
162 3WVR AMP 0.008339 0.46525 6.64207
163 3I0O ADP 0.01646 0.4566 6.64207
164 5NCY 8TK 0.005711 0.43724 6.64207
165 4NV7 COA 0.039 0.40374 6.64207
166 1WAP TRP 0.01292 0.45488 6.66667
167 4H6B 10X 0.03006 0.4381 6.66667
168 4MG7 27H 0.04708 0.41825 6.66667
169 2BJ4 OHT 0.02149 0.43051 6.74603
170 3KMZ EQO 0.0369 0.40487 6.76692
171 5D9G GLU ASN LEU TYR PHE GLN 0.001408 0.5226 6.91057
172 2GC0 PAN 0.04268 0.42053 6.91489
173 3P7N FMN 0.0416 0.41583 6.97674
174 1PK8 ATP 0.005652 0.44781 7.01107
175 3A5Z KAA 0.01651 0.41667 7.01107
176 1XON PIL 0.02979 0.40714 7.01107
177 4USI ATP 0.02815 0.42191 7.14286
178 3DGY 2GP 0.02117 0.45931 7.2165
179 4B9K TG0 0.02192 0.45344 7.2165
180 3B6C SDN 0.004589 0.49803 7.26496
181 5CHR 4NC 0.04141 0.44183 7.29927
182 3TII ANP 0.01013 0.4686 7.38007
183 2J3M PRI 0.04252 0.40826 7.38007
184 3WFD AXO 0.04554 0.40415 7.53425
185 3SJK LYS PRO VAL LEU ARG THR ALA 0.01246 0.47401 7.89474
186 5OCA 9QZ 0.0497 0.41334 7.93651
187 4IAW LIZ 0.003824 0.4926 7.97872
188 2W5P CL8 0.003486 0.50999 8.05369
189 5N2F 8HW 0.006453 0.4508 8.06452
190 4BG4 ADP 0.02979 0.42883 8.11808
191 2Q4H AMP 0.03967 0.4034 8.11808
192 5LWY OLB 0.04017 0.42781 8.41121
193 5LWY OLA 0.04113 0.41867 8.41121
194 4YSX E23 0.04908 0.43658 8.48709
195 1Y7P RIP 0.0006333 0.4835 8.52018
196 1XZ3 ICF 0.02735 0.42693 8.62069
197 5K52 OCD 0.03475 0.4173 8.67924
198 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.003368 0.47484 8.84956
199 5XLY C2E 0.01366 0.44671 9.02256
200 2RKN LP3 0.04719 0.42393 9.09091
201 5KOD AMP 0.0488 0.42312 9.22509
202 3IX9 MTX 0.03424 0.43492 9.47368
203 4HY1 19X 0.01885 0.44946 9.5941
204 3E2M E2M 0.01227 0.43187 9.72973
205 2DXU BT5 0.02332 0.40604 9.78723
206 2G30 ALA ALA PHE 0.0003161 0.54857 10.0775
207 1BHX ASP PHE GLU GLU ILE 0.03714 0.43635 10.2041
208 4Q5H ANP 0.001661 0.49465 10.2564
209 4WVO 3UZ 0.03873 0.40389 11.0497
210 3SP6 IL2 0.006354 0.46067 11.0701
211 2PRG BRL 0.04994 0.41688 11.3636
212 3HAV ATP 0.006873 0.48898 11.4391
213 4LWU 20U 0.02651 0.43777 11.7647
214 1PVC ILE SER GLU VAL 0.02271 0.42705 11.7647
215 4UA3 COA 0.01195 0.44346 11.8557
216 2ZHL NAG GAL GAL NAG 0.03036 0.43786 12.1622
217 4DSU BZI 0.0001827 0.58656 12.1693
218 3NKS ACJ 0.02195 0.43898 12.1771
219 2XGT NSS 0.01927 0.41794 12.1771
220 2XN5 FUN 0.002013 0.50838 13.2841
221 4V2O CLQ 0.04062 0.4377 13.4146
222 4AZT LY2 0.006506 0.47952 13.6531
223 3NFD COA 0.0467 0.43412 13.7255
224 1N13 AG2 0.0429 0.44138 14.1593
225 5H9Q TD2 0.0006042 0.52447 14.1935
226 4NG2 OHN 0.04502 0.4049 15.0442
227 2TPI ILE VAL 0.03918 0.42251 15.5172
228 4Q9M 2ZW 0.01859 0.43372 15.8537
229 1IA9 ANP 0.000967 0.50266 16.9742
230 4IPH 1FJ 0.001783 0.47148 17.0732
231 4XT2 43L 0.008479 0.445 17.094
232 4GYI ADP 0.0009426 0.52173 17.3432
233 5KWY C3S 0.02106 0.43995 18.0451
234 4OAV ACP 0.00001436 0.60873 19.1882
235 1XVB 3BR 0.008911 0.47176 20
236 2J9D AMP 0.04103 0.42144 20.1681
237 2J9D ADP 0.03174 0.41683 20.1681
238 5OO5 UUA 0.01924 0.44206 21.7742
239 3LQV ADE 0.03245 0.44016 25.641
240 3VHE 42Q 0.00001424 0.55286 25.8303
241 5C03 AGS 0.00002405 0.59074 27.3063
242 4WOV 3SM 0.000124 0.57053 27.3063
243 4MTI 2DX 0.04989 0.43615 28.6957
244 4HBM 0Y7 0.02686 0.42832 29.1667
245 4E1Z 0MX 0.000008816 0.59039 33.2103
246 4WT2 3UD 0.02321 0.41208 33.3333
247 3LXN MI1 0.00000143 0.64122 33.5793
248 4XH0 ADP 0.00002769 0.63354 33.5793
249 4GJ3 0XP 0.0000009216 0.60086 33.5793
250 3GNI ATP 0.000009752 0.59921 34.3173
251 3KMW ATP 0.0009571 0.51164 34.3173
252 5LPZ ADP 0.000004775 0.62741 34.6863
253 5NKB 8ZT 0.00000485 0.53571 34.6863
254 2XVD AS6 0.00000003102 0.67694 35.4244
255 4IDT T28 0.000001964 0.65472 35.4244
256 5LPB ADP 0.000006645 0.64873 35.4244
257 5HX8 66P 0.000002458 0.60122 35.7934
258 2Y6O 1N1 0.000001193 0.6388 36.1624
259 3LXK MI1 0.000001279 0.60918 36.1624
260 4OAS 2SW 0.02292 0.44125 36.4583
261 5T8O 76Z 0.000003064 0.62455 36.5314
262 3UIM ANP 0.00006275 0.56898 36.5314
263 5KO1 6UY 0.000003917 0.63875 36.9004
264 2QLU ADE 0.00001252 0.65072 37.2694
265 1JPA ANP 0.000009007 0.64971 37.2694
266 4P5Z Q7M 0.000001228 0.57005 37.2694
267 4FL3 ANP 0.00000001079 0.74003 38.3764
268 3E8N VRA 0.0000002171 0.57667 38.3764
269 3E8N ATP 0.0000002171 0.57667 38.3764
270 1VJY 460 0.000004507 0.56649 38.3764
271 4KBA 1QM 0.0003493 0.49777 38.3764
272 4EWH T77 0.0000003083 0.63744 38.7454
273 5U6C 7YS 0.000002098 0.62666 39.1144
274 4AT3 LTI 0.000002805 0.58418 39.1144
275 5USZ SKE 0.000002045 0.59987 39.4834
276 1FM9 9CR 0.04874 0.41228 40
277 2H8H H8H 0.0000001974 0.69969 40.2214
278 1Y57 MPZ 0.0000008972 0.63873 40.2214
279 3PP0 03Q 0.00000364 0.59329 40.2214
280 5MY8 RXZ 0.00001089 0.57592 40.2214
281 3C1X CKK 0.0007069 0.50146 40.2214
282 4RFM 3P6 0.00000007351 0.58302 40.2256
283 3GC8 B45 0.00006441 0.553 40.5904
284 4CRL C1I 0.00007315 0.51092 40.5904
285 5EOB 5QQ 0.0000004135 0.40466 40.5904
286 4BKJ STI 0.002784 0.46234 40.9594
287 3G5D 1N1 0.0000002395 0.41215 40.9594
288 2OFV 242 0.00006249 0.50734 41.3284
289 5H2U 1N1 0.000003996 0.63145 41.573
290 3H9R TAK 0.0000001233 0.75715 41.6974
291 5DA3 58V 0.000002912 0.66899 41.8868
292 1K3A ACP 0.0000002423 0.72055 42.0664
293 3PLS ANP 0.0000007021 0.67849 42.0664
294 2OO8 RAJ 0.001525 0.48492 42.0664
295 5TO8 7FM 0.00001065 0.52887 42.4354
296 3EKK GS2 0.0000008497 0.58051 42.8044
297 1OUK 084 0.00002062 0.41429 42.8044
298 3BZ3 YAM 0.00003976 0.47029 43.1734
299 4WNK 453 0.000001742 0.59337 43.5424
300 4TWP AXI 0.000004125 0.52881 43.5424
301 1OPK P16 0.00008712 0.51441 43.5424
302 1U59 STU 0.000003804 0.63257 43.9114
303 4E93 GUI 0.00002079 0.53784 44.2804
304 4CSV STI 0.0006332 0.49997 44.2804
305 4U0I 0LI 0.0002249 0.49638 44.2804
306 1BYG STU 0.000003142 0.65118 44.6494
307 3VRY B43 0.000001081 0.62322 44.6494
308 5HCY 60D 0.00000002935 0.61332 44.6494
309 3SXS PP2 0.000000141 0.69192 44.7761
310 4XLI 1N1 0.00000118 0.6665 44.7761
311 4H3P ANP 0.000002707 0.64029 45.0185
312 5BVE 4VG 0.00000002718 0.56103 45.0185
313 4L9I 8PR 0.0000002646 0.70105 45.3875
314 5N87 N66 0.0000005843 0.59137 45.3875
315 4Y85 499 0.00008847 0.5667 45.3875
316 4D2S DYK 0.000002984 0.66016 45.7565
317 3HMO STU 0.000001872 0.65583 45.7565
318 3KRL KRL 0.000001087 0.64081 45.7565
319 3PVW QRX 0.000002943 0.59758 45.7565
320 4Y93 746 0.00000009302 0.67346 46.1255
321 4YMJ 4EJ 0.00001129 0.65632 46.1255
322 2B9J ADP 0.00002264 0.5982 46.1255
323 2B9I ADP 0.0000191 0.59597 46.1255
324 2A19 ANP 0.000002237 0.67547 46.4945
325 4NM5 ADP 0.000000752 0.64246 46.4945
326 5X8I SQZ 0.00000741 0.61744 46.4945
327 2JLD AG1 0.0000006888 0.59713 46.4945
328 3GQI ACP 0.000001737 0.65035 46.8635
329 2WU6 DKI 0.000001401 0.62929 46.8635
330 1U5R ATP 0.00000664 0.61993 46.8635
331 5UOX 8GY 0.000002976 0.61915 46.8635
332 5BYZ 4WE 0.000001738 0.58881 46.8635
333 3KRR DQX 0.000001026 0.41184 46.8635
334 5JGA 6KC 0.000001945 0.58224 47.2325
335 4ASE AV9 0.000009572 0.56922 47.2325
336 4AG8 AXI 0.00004256 0.51425 47.2325
337 5AWM ANP 0.0001851 0.56702 47.6015
338 5EFQ ADP 0.0000673 0.56739 47.9705
339 2F57 23D 0.00000009784 0.73295 48.3395
340 4IZY 1J2 0.000009475 0.59984 48.3395
341 4UX9 ANP 0.00001611 0.58822 48.3395
342 2PVF ACP 0.0000006939 0.67876 48.7085
343 3SLS ANP 0.0000005453 0.65565 48.7085
344 4BHN BH9 0.000004326 0.617 48.7085
345 3SLS 77D 0.0003714 0.52864 48.7085
346 3TTI KBI 0.00000742 0.57427 49.0775
347 3E7O 35F 0.00005339 0.52017 49.0775
348 4WHZ 3NL 0.000009221 0.50721 49.0775
349 3ALN ANP 0.000005089 0.61344 49.4465
350 4I6H 1C8 0.000001285 0.6572 49.8155
351 5TA6 79D 0.000001209 0.61031 49.8155
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