Receptor
PDB id Resolution Class Description Source Keywords
4QYH 1.9 Å EC: 2.7.11.1 CHK1 KINASE DOMAIN IN COMPLEX WITH DIAZACARBAZOLE GNE-783 HOMO SAPIENS PROTEIN KINASE PHOSPHOTRANSFER CATALYST TRANSFERASE-TRANSFINHIBITOR COMPLEX
Ref.: DISCOVERY OF THE 1,7-DIAZACARBAZOLE CLASS OF INHIBI CHECKPOINT KINASE 1. BIOORG.MED.CHEM.LETT. V. 24 5704 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3DX A:301;
B:301;
Valid;
Valid;
none;
none;
ic50 = 0.0013 uM
368.434 C22 H20 N6 CN1CC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TKI 1.6 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF CHK1 IN COMPLEX WITH INHIBITOR S25 HOMO SAPIENS CHK1 KINASE CELL CHECKPOINT TRANSFERASE-TRANSFERASE INHIBCOMPLEX
Ref.: PYRIDYL AMINOTHIAZOLES AS POTENT INHIBITORS OF CHK1 SLOW DISSOCIATION RATES. BIOORG.MED.CHEM.LETT. V. 22 2609 2012
Members (66)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 2YM8 ic50 = 0.013 uM YM8 C19 H19 Cl N6 O C[C@H](CN(....
2 2CGW ic50 = 17.3 uM 3C3 C9 H15 N9 O2 CCCn1c(nc(....
3 3F9N ic50 = 1.3 uM 38M C29 H35 Cl N4 O2 S CCCC[C@@H]....
4 4JIK ic50 = 0.039 uM 1KO C18 H19 Cl N6 O c1cc(ccc1c....
5 4QYH ic50 = 0.0013 uM 3DX C22 H20 N6 CN1CCN(CC1....
6 2BRB Ki = 13.7 uM PFQ C20 H17 N3 O2 c1ccc(cc1)....
7 3PA3 ic50 = 1 nM C70 C18 H18 Cl N5 O S c1cc(ccc1c....
8 2YER ic50 = 0.02 uM TQ1 C15 H12 N4 O2 c1cc([nH]c....
9 2E9O ic50 = 20 nM A58 C25 H27 N3 O2 CC1CCC(CC1....
10 2WMQ - ZYQ C9 H11 N3 O2 S CC(=O)Nc1n....
11 2BRO ic50 = 1.4 uM DF2 C21 H20 N4 O2 c1ccc(cc1)....
12 2QHN ic50 = 980 nM 582 C13 H13 N3 O CCN1c2cccc....
13 4RVM ic50 = 1 nM 3X7 C23 H21 N5 c1cc(ccc1C....
14 5DLS ic50 = 4.4 nM 5CV C31 H34 N6 O3 CC(C)(CN(C....
15 3TKI ic50 = 0.05 nM S25 C20 H23 N7 O2 S c1cnc(cc1N....
16 2YM5 ic50 = 0.43 uM YM5 C18 H21 N5 O2 c1cc(cc(c1....
17 4HYH ic50 = 1 nM 1AM C22 H22 N6 O3 S COc1ccc2c(....
18 1NVS Ki = 15 nM UCM C24 H15 N3 O3 c1ccc2c(c1....
19 2YDK ic50 = 0.007 uM YDK C17 H20 N4 O2 S c1ccc(cc1)....
20 3OT3 ic50 = 0.005 uM 22K C16 H20 Br N7 Cn1cc(cn1)....
21 2HXQ ic50 = 144 nM 373 C24 H26 N4 O c1ccc2c(c1....
22 2QHM ic50 = 660 nM 7CS C16 H19 N3 O2 CN1[C@H]2C....
23 2BRH ic50 = 22 uM DFW C20 H15 N3 O3 c1ccc(cc1)....
24 2R0U ic50 = 1 nM M54 C25 H22 N4 O2 c1cc(cc(c1....
25 1NVR Ki = 7.8 nM STU C28 H26 N4 O3 C[C@@]12[C....
26 3OT8 ic50 = 0.009 uM MI5 C19 H22 N8 S Cc1cc(sn1)....
27 2YM4 ic50 = 1.5 uM 4YM C21 H22 N6 O3 CCOC(=O)c1....
28 4HYI ic50 = 2 nM 1AO C21 H20 N6 O S c1ccc2c(c1....
29 4RVL ic50 = 41.7 nM 3XL C17 H10 N4 O c1ccc(c(c1....
30 2XF0 ic50 = 30 uM 4UB C15 H11 N5 c1ccc(cc1)....
31 2YM6 ic50 = 0.88 uM YM6 C14 H16 N6 O c1cncc2c1c....
32 4QYG ic50 = 0.0041 uM 3DW C22 H21 N5 O2 CN1CCN(CC1....
33 3TKH ic50 = 47 nM 07S C23 H27 N7 O2 S c1cc(cnc1)....
34 2XEZ ic50 = 1.5 uM XEZ C12 H9 N7 c1c[nH]nc1....
35 2HXL ic50 = 12 nM 422 C23 H24 N6 c1cc2c(cc1....
36 5F4N ic50 = 2.2 nM 5UY C17 H19 N7 O3 COC(=O)c1c....
37 2E9N ic50 = 6.2 nM 76A C29 H27 N3 O3 c1cc(ccc1c....
38 2YM3 ic50 = 1.2 uM YM3 C14 H19 N5 O3 CCOC(=O)c1....
39 2YDI - YDI C16 H20 N4 O3 S CN(C)CCOc1....
40 3NLB ic50 = 35 nM 5BE C21 H28 N6 O Cc1c(c([nH....
41 3JVR Ki = 1.89 uM AGX C16 H13 Cl2 N3 O2 C[C@@H](c1....
42 2WMX ic50 = 0.86 uM ZY6 C17 H19 N5 O c1ccc(cc1)....
43 2C3J Ki = 0.659 uM DBQ C11 H11 N5 O2 c1c[nH]c2c....
44 2YM7 ic50 = 0.13 uM YM7 C15 H18 N8 c1c(ncnc1N....
45 2X8I ic50 = 0.19 uM X8I C17 H13 N3 O2 CC1=CC2=NN....
46 2YDJ ic50 = 0.005 uM YDJ C17 H19 F N4 O2 S c1cc(cc(c1....
47 4QYE ic50 = 1.2 uM 3DL C17 H12 N2 O3 c1cc(cc(c1....
48 2BRG ic50 = 6.1 uM DFY C21 H19 N3 O2 CN(CCO)c1c....
49 2CGU ic50 = 13.4 uM 3A3 C17 H13 N O7 c1cc-2c(cc....
50 2WMR ic50 = 52 uM ZYR C10 H10 N2 O S C1CCc2c(c3....
51 3PA5 ic50 = 2 nM C73 C17 H19 Cl N4 O2 S c1cc(ccc1c....
52 2WMV ic50 = 9.2 uM ZYV C10 H14 N6 O c1[nH]c2c(....
53 2CGX ic50 = 15.6 uM 3D3 C7 H8 N6 O S c1nc(c2c(n....
54 4QYF - 3DV C17 H13 N3 O3 c1cc(cc(c1....
55 3JVS Ki = 0.146 uM AGY C22 H22 N4 O4 CC(C)(C)c1....
56 2WMW ic50 = 0.39 uM ZYW C11 H14 Br N5 O c1c2c(c(cn....
57 2BR1 Ki = 7.2 uM PFP C22 H21 N3 O4 COc1ccc(cc....
58 2C3L Ki = 0.026 uM IDZ C14 H10 N4 c1ccc2c(c1....
59 2X8E ic50 = 0.014 uM X8E C16 H12 N4 O CC1=CC2=NN....
60 2X8D ic50 = 0.8 uM X8D C11 H9 N3 O CC1=CC2=NN....
61 2YEX ic50 = 0.0001 uM YEX C15 H12 N4 O CC1=CC2=NN....
62 2BRM Ki = 1.3 uM DFZ C20 H18 N4 O c1ccc(cc1)....
63 1NVQ Ki = 5.6 nM UCN C28 H26 N4 O4 C[C@@]12[C....
64 3PA4 ic50 = 3 nM C72 C19 H19 Cl N4 O S c1cc(ccc1c....
65 4RVK ic50 = 13.5 nM 3XK C19 H13 N5 O CC(=O)Nc1c....
66 2HOG ic50 = 0.3 nM 710 C24 H25 N7 O c1cc2c(cc1....
70% Homology Family (67)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 2YM8 ic50 = 0.013 uM YM8 C19 H19 Cl N6 O C[C@H](CN(....
2 2CGW ic50 = 17.3 uM 3C3 C9 H15 N9 O2 CCCn1c(nc(....
3 3F9N ic50 = 1.3 uM 38M C29 H35 Cl N4 O2 S CCCC[C@@H]....
4 4JIK ic50 = 0.039 uM 1KO C18 H19 Cl N6 O c1cc(ccc1c....
5 4QYH ic50 = 0.0013 uM 3DX C22 H20 N6 CN1CCN(CC1....
6 2BRB Ki = 13.7 uM PFQ C20 H17 N3 O2 c1ccc(cc1)....
7 3PA3 ic50 = 1 nM C70 C18 H18 Cl N5 O S c1cc(ccc1c....
8 2YER ic50 = 0.02 uM TQ1 C15 H12 N4 O2 c1cc([nH]c....
9 2E9O ic50 = 20 nM A58 C25 H27 N3 O2 CC1CCC(CC1....
10 2WMQ - ZYQ C9 H11 N3 O2 S CC(=O)Nc1n....
11 2BRO ic50 = 1.4 uM DF2 C21 H20 N4 O2 c1ccc(cc1)....
12 2QHN ic50 = 980 nM 582 C13 H13 N3 O CCN1c2cccc....
13 4RVM ic50 = 1 nM 3X7 C23 H21 N5 c1cc(ccc1C....
14 5DLS ic50 = 4.4 nM 5CV C31 H34 N6 O3 CC(C)(CN(C....
15 3TKI ic50 = 0.05 nM S25 C20 H23 N7 O2 S c1cnc(cc1N....
16 2YM5 ic50 = 0.43 uM YM5 C18 H21 N5 O2 c1cc(cc(c1....
17 4HYH ic50 = 1 nM 1AM C22 H22 N6 O3 S COc1ccc2c(....
18 1NVS Ki = 15 nM UCM C24 H15 N3 O3 c1ccc2c(c1....
19 2YDK ic50 = 0.007 uM YDK C17 H20 N4 O2 S c1ccc(cc1)....
20 3OT3 ic50 = 0.005 uM 22K C16 H20 Br N7 Cn1cc(cn1)....
21 2HXQ ic50 = 144 nM 373 C24 H26 N4 O c1ccc2c(c1....
22 2QHM ic50 = 660 nM 7CS C16 H19 N3 O2 CN1[C@H]2C....
23 2BRH ic50 = 22 uM DFW C20 H15 N3 O3 c1ccc(cc1)....
24 2R0U ic50 = 1 nM M54 C25 H22 N4 O2 c1cc(cc(c1....
25 1NVR Ki = 7.8 nM STU C28 H26 N4 O3 C[C@@]12[C....
26 3OT8 ic50 = 0.009 uM MI5 C19 H22 N8 S Cc1cc(sn1)....
27 2YM4 ic50 = 1.5 uM 4YM C21 H22 N6 O3 CCOC(=O)c1....
28 4HYI ic50 = 2 nM 1AO C21 H20 N6 O S c1ccc2c(c1....
29 4RVL ic50 = 41.7 nM 3XL C17 H10 N4 O c1ccc(c(c1....
30 2XF0 ic50 = 30 uM 4UB C15 H11 N5 c1ccc(cc1)....
31 2YM6 ic50 = 0.88 uM YM6 C14 H16 N6 O c1cncc2c1c....
32 4QYG ic50 = 0.0041 uM 3DW C22 H21 N5 O2 CN1CCN(CC1....
33 3TKH ic50 = 47 nM 07S C23 H27 N7 O2 S c1cc(cnc1)....
34 2XEZ ic50 = 1.5 uM XEZ C12 H9 N7 c1c[nH]nc1....
35 2HXL ic50 = 12 nM 422 C23 H24 N6 c1cc2c(cc1....
36 5F4N ic50 = 2.2 nM 5UY C17 H19 N7 O3 COC(=O)c1c....
37 2E9N ic50 = 6.2 nM 76A C29 H27 N3 O3 c1cc(ccc1c....
38 2YM3 ic50 = 1.2 uM YM3 C14 H19 N5 O3 CCOC(=O)c1....
39 2YDI - YDI C16 H20 N4 O3 S CN(C)CCOc1....
40 3NLB ic50 = 35 nM 5BE C21 H28 N6 O Cc1c(c([nH....
41 3JVR Ki = 1.89 uM AGX C16 H13 Cl2 N3 O2 C[C@@H](c1....
42 2WMX ic50 = 0.86 uM ZY6 C17 H19 N5 O c1ccc(cc1)....
43 2C3J Ki = 0.659 uM DBQ C11 H11 N5 O2 c1c[nH]c2c....
44 2YM7 ic50 = 0.13 uM YM7 C15 H18 N8 c1c(ncnc1N....
45 2X8I ic50 = 0.19 uM X8I C17 H13 N3 O2 CC1=CC2=NN....
46 2YDJ ic50 = 0.005 uM YDJ C17 H19 F N4 O2 S c1cc(cc(c1....
47 4QYE ic50 = 1.2 uM 3DL C17 H12 N2 O3 c1cc(cc(c1....
48 2BRG ic50 = 6.1 uM DFY C21 H19 N3 O2 CN(CCO)c1c....
49 2CGU ic50 = 13.4 uM 3A3 C17 H13 N O7 c1cc-2c(cc....
50 2WMR ic50 = 52 uM ZYR C10 H10 N2 O S C1CCc2c(c3....
51 3PA5 ic50 = 2 nM C73 C17 H19 Cl N4 O2 S c1cc(ccc1c....
52 2WMV ic50 = 9.2 uM ZYV C10 H14 N6 O c1[nH]c2c(....
53 2CGX ic50 = 15.6 uM 3D3 C7 H8 N6 O S c1nc(c2c(n....
54 4QYF - 3DV C17 H13 N3 O3 c1cc(cc(c1....
55 3JVS Ki = 0.146 uM AGY C22 H22 N4 O4 CC(C)(C)c1....
56 2WMW ic50 = 0.39 uM ZYW C11 H14 Br N5 O c1c2c(c(cn....
57 2BR1 Ki = 7.2 uM PFP C22 H21 N3 O4 COc1ccc(cc....
58 2C3L Ki = 0.026 uM IDZ C14 H10 N4 c1ccc2c(c1....
59 2X8E ic50 = 0.014 uM X8E C16 H12 N4 O CC1=CC2=NN....
60 2X8D ic50 = 0.8 uM X8D C11 H9 N3 O CC1=CC2=NN....
61 2YEX ic50 = 0.0001 uM YEX C15 H12 N4 O CC1=CC2=NN....
62 2BRM Ki = 1.3 uM DFZ C20 H18 N4 O c1ccc(cc1)....
63 1NVQ Ki = 5.6 nM UCN C28 H26 N4 O4 C[C@@]12[C....
64 3PA4 ic50 = 3 nM C72 C19 H19 Cl N4 O S c1cc(ccc1c....
65 4RVK ic50 = 13.5 nM 3XK C19 H13 N5 O CC(=O)Nc1c....
66 2HOG ic50 = 0.3 nM 710 C24 H25 N7 O c1cc2c(cc1....
67 2HY0 ic50 = 0.65 nM 306 C26 H25 N5 O c1cc2c(cc1....
50% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 2YM8 ic50 = 0.013 uM YM8 C19 H19 Cl N6 O C[C@H](CN(....
2 2CGW ic50 = 17.3 uM 3C3 C9 H15 N9 O2 CCCn1c(nc(....
3 3F9N ic50 = 1.3 uM 38M C29 H35 Cl N4 O2 S CCCC[C@@H]....
4 4JIK ic50 = 0.039 uM 1KO C18 H19 Cl N6 O c1cc(ccc1c....
5 4QYH ic50 = 0.0013 uM 3DX C22 H20 N6 CN1CCN(CC1....
6 2BRB Ki = 13.7 uM PFQ C20 H17 N3 O2 c1ccc(cc1)....
7 3PA3 ic50 = 1 nM C70 C18 H18 Cl N5 O S c1cc(ccc1c....
8 2YER ic50 = 0.02 uM TQ1 C15 H12 N4 O2 c1cc([nH]c....
9 3NLB ic50 = 35 nM 5BE C21 H28 N6 O Cc1c(c([nH....
10 3JVR Ki = 1.89 uM AGX C16 H13 Cl2 N3 O2 C[C@@H](c1....
11 2WMX ic50 = 0.86 uM ZY6 C17 H19 N5 O c1ccc(cc1)....
12 1SZM ic50 = 6.35 uM BI4 C27 H26 N4 O2 C[N@]1CCC[....
13 2HY0 ic50 = 0.65 nM 306 C26 H25 N5 O c1cc2c(cc1....
14 5LVO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 4XX9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 2XCK ic50 = 713 nM MH4 C29 H33 N9 O Cc1cc(ccn1....
17 2PE1 ic50 = 6 nM 517 C15 H14 N4 O2 CC(c1ccc[n....
18 3RWP Ki = 0.6 nM ABQ C24 H24 F N7 O2 CC(C)n1cc(....
19 3NAX - MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
20 3QCQ ic50 = 0.00000001 M 3Q0 C13 H15 N7 CCNc1cc(nc....
21 4A06 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
22 2UW9 - GVP C20 H20 Cl N3 c1cc(ccc1c....
23 2JDR ic50 = 0.5 nM L20 C24 H23 N5 O Cc1c2cc(cc....
24 3UBD Kd = 2.9 uM SL0 C25 H24 O12 CC1C(C(C(C....
25 4GUE Kd = 5.8 uM QCT C21 H20 O11 C[C@H]1[C@....
26 3G51 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
27 3QKK - SMH C28 H38 N2 O7 S CCOCCN(C[C....
28 4EKL ic50 = 5 nM 0RF C24 H32 Cl N5 O2 C[C@@H]1C[....
29 3WF5 ic50 = 81 nM FZ8 C17 H17 N7 c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3DX; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 3DX 1 1
2 3DW 0.650602 0.818182
3 3X7 0.6 0.833333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TKI; Ligand: S25; Similar sites found: 300
This union binding pocket(no: 1) in the query (biounit: 3tki.bio1) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4O4F ATP 0.003508 0.43302 1.20968
2 4O4F IHP 0.003996 0.42769 1.20968
3 5TT6 ATP 0.01 0.42133 1.23839
4 3V4S ATP 0.003502 0.44243 1.54799
5 5FPE 3TR 0.0278 0.4405 1.54799
6 4GCZ FMN 0.0205 0.41244 1.54799
7 5W2I ADP 0.006221 0.42491 1.55642
8 5W2I I3P 0.006221 0.42491 1.55642
9 3X01 AMP 0.001025 0.51225 1.85759
10 2IF8 ADP 0.0009481 0.51206 1.85759
11 3VOT ADP 0.001201 0.49491 1.85759
12 1I7L ATP 0.001317 0.45498 1.94175
13 3VPC ADP 0.0007629 0.473 2.12766
14 2PUL ACP 0.00002082 0.56802 2.16718
15 1EHI ADP 0.006436 0.43669 2.16718
16 2PHN GDP 0.02048 0.40172 2.3622
17 2GND MAN MMA 0.02575 0.43182 2.38095
18 2PHX MAN MAN MAN MAN 0.0312 0.4271 2.38095
19 1Q8P MAN MMA 0.03269 0.42595 2.38095
20 3W0O HY0 0.0004767 0.45765 2.47678
21 3W0O ADP 0.0004767 0.45765 2.47678
22 2CFM AMP 0.00826 0.45031 2.47678
23 5JBE MAL 0.02134 0.44906 2.47678
24 1PK8 ATP 0.00208 0.44297 2.47678
25 4ZS4 ATP 0.00006834 0.53132 2.60586
26 1OIJ AKG 0.03382 0.42114 2.65781
27 4OFG PCG 0.04712 0.40634 2.77778
28 2YRX AMP 0.01262 0.45052 2.78638
29 4XYM A12 0.007233 0.43425 2.78638
30 4OCJ NDG 0.002466 0.4117 2.78638
31 2Q7D ANP 0.01477 0.40314 2.78638
32 3PDT ADP 0.0001065 0.5384 2.90909
33 2W14 WR2 0.04558 0.40398 2.9703
34 3NZ1 3NY 0.04068 0.41159 3.06513
35 3DGY 2GP 0.0157 0.44509 3.09278
36 4OCV ANP 0.0005324 0.48861 3.09598
37 4FE2 ADP 0.005572 0.45503 3.13725
38 1IA9 ANP 0.00007005 0.53081 3.21429
39 4XMF HSM 0.0009087 0.51012 3.26087
40 4R78 AMP 0.00008011 0.56443 3.40557
41 4CYI ATP 0.00004273 0.53581 3.40557
42 3TII ANP 0.006184 0.45702 3.40557
43 2XG5 EC5 0.009241 0.45724 3.46821
44 2XG5 EC2 0.009241 0.45724 3.46821
45 1ZTH ADP 0.0000173 0.59283 3.48837
46 1ZP9 ATP 0.00002415 0.5712 3.48837
47 1TZD ADP 0.0009139 0.5151 3.63636
48 5TDF ADP 0.007866 0.42926 3.71517
49 2WKQ FMN 0.01158 0.42442 3.71517
50 2IDO TMP 0.04704 0.41654 3.76344
51 1W2D ADP 0.002025 0.48284 3.77358
52 2PR5 FMN 0.01605 0.41758 3.78788
53 5C1P ADP 0.004488 0.45993 3.92157
54 4YNM SAM 0.04031 0.40088 3.9823
55 3I0O ADP 0.000495 0.51539 4.02477
56 2B6N ALA PRO THR 0.04206 0.42352 4.31655
57 2PYW ADP 0.00001108 0.56338 4.33437
58 2VQD AP2 0.002333 0.45413 4.33437
59 4EIL CB3 0.0491 0.40867 4.33437
60 3K5I ADP 0.002899 0.44968 4.4665
61 1OKE BOG 0.01857 0.43148 4.64396
62 5JM8 ATP 0.02751 0.40087 4.64396
63 3T50 FMN 0.02265 0.41033 4.6875
64 4WUJ FMN 0.01263 0.4226 4.7619
65 5DJU FMN 0.01059 0.42315 4.82759
66 5NCY 8TK 0.00052 0.4561 4.95356
67 3ETH ATP 0.003681 0.44142 4.95356
68 3HAV ATP 0.001121 0.50962 5.01672
69 2QX0 PH2 0.00853 0.45814 5.03145
70 5I35 ANP 0.00002396 0.56498 5.26316
71 5MRH Q9Z 0.003757 0.47345 5.26316
72 4UWH JXM 0.005049 0.45307 5.26316
73 3DNT ATP 0.003089 0.43848 5.26316
74 5X7Q GLC GLC GLC GLC 0.0388 0.40831 5.26316
75 1TQP ATP 0.00001944 0.53654 5.31915
76 2CBT TH2 0.02601 0.43157 5.35714
77 2W5P CL8 0.0189 0.44159 5.36913
78 1GMN IDS SGN IDS SGN IDS 0.04783 0.41499 5.46448
79 4U98 ACP 0.001232 0.47968 5.50661
80 3TDV GDP 0.00001193 0.5737 5.55556
81 1OBD ATP 0.001106 0.49159 5.55556
82 4GYI ADP 0.00009966 0.54595 5.57276
83 3B6R CRN 0.00858 0.40937 5.57276
84 3AB4 THR 0.03845 0.41807 5.61798
85 1IHU ADP 0.02151 0.40326 5.94228
86 1IHU AF3 0.02636 0.40174 5.94228
87 2AJH MET 0.04011 0.42169 6.12245
88 2IO8 ADP 0.001559 0.45172 6.19195
89 1T36 ADP 0.01045 0.40722 6.19195
90 5DKK FMN 0.013 0.42199 6.2069
91 1RGE 2GP 0.02871 0.42979 6.25
92 1U6R IOM 0.01466 0.4341 6.50155
93 1FWV SGA MAG FUC 0.003196 0.48814 6.71642
94 4ANW O92 0.0001607 0.4704 6.81115
95 5KJW 53C 0.01635 0.44608 6.81115
96 3SAO DBH 0.01433 0.43902 6.875
97 4GLW 0XT 0.03305 0.42172 6.88525
98 3ZJX BOG 0.008642 0.46035 6.92042
99 5VZ0 ADP 0.002243 0.4667 7.12074
100 5DZT AMP 0.002657 0.48804 7.43034
101 2BKK ADP 0.0009453 0.49514 7.57576
102 3TM0 ANP 0.003792 0.41579 7.60456
103 3TM0 B31 0.00452 0.41046 7.60456
104 5MY8 RXZ 0.0000004553 0.6032 7.73994
105 4PU5 ANP 0.001975 0.45046 7.73994
106 1NY5 ADP 0.007484 0.43696 7.73994
107 2GQS ADP 0.0051 0.44888 8.01688
108 2GQS C2R 0.007346 0.44476 8.01688
109 1VDN ACE ALA ALA PRO ALA MCM 0.01771 0.44239 8.02469
110 3BRN SRO 0.00868 0.4593 8.28025
111 3WVR AMP 0.001675 0.47749 8.35913
112 4LI4 AMP 0.03693 0.41905 8.82353
113 2YW2 ATP 0.006378 0.43356 8.97833
114 2GCG DGY 0.0295 0.4216 9.09091
115 5LXT ACP 0.009049 0.42043 9.09091
116 5IQD RIO 0.00001019 0.42817 9.18033
117 5IQD GNP 0.00000819 0.42778 9.18033
118 4LH7 1X8 0.02094 0.42841 9.28793
119 2G30 ALA ALA PHE 0.002473 0.46486 10.2167
120 3ORQ ADP 0.004177 0.44222 10.2167
121 5FI4 5XV 0.004502 0.43118 10.2167
122 5DXT 5H5 0.009595 0.42835 10.2167
123 3S6X SIA GAL BGC 0.02165 0.43877 10.5263
124 4FFG 0U8 0.04199 0.40757 10.5263
125 4AZT LY2 0.0002259 0.5335 10.8359
126 1NU4 MLA 0.00236 0.51466 11.3402
127 5CKW ANP 0.000008201 0.61007 11.4551
128 5DJT FMN 0.01487 0.41918 11.4754
129 4WW7 AMP 0.00000008573 0.65526 11.4943
130 2V0U FMN 0.01031 0.42683 11.6438
131 5EFW FMN 0.01082 0.42584 11.6667
132 5H9P TD2 0.04758 0.41667 12.6582
133 3WG3 A2G GAL NAG FUC 0.04763 0.41789 13.4831
134 4DFU QUE 0.01015 0.45456 14.2857
135 4R38 RBF 0.01549 0.41535 14.2857
136 4OAV ACP 0.00000001676 0.72224 14.5511
137 3VHE 42Q 0.000000128 0.6041 15.1703
138 3VPB ADP 0.0004699 0.47126 16.0714
139 2AQX ATP 0.01522 0.41286 16.263
140 1CBK ROI 0.0372 0.42437 16.875
141 4O1P ANP 0.00000002651 0.41674 17.9567
142 4Q5H ANP 0.000004744 0.59326 18.9655
143 5GZ9 ANP 0.0000005423 0.41714 19.0164
144 2QHV OC9 0.03761 0.41861 22.8571
145 3KMW ATP 0.00001253 0.579 26.9373
146 1OPK P16 0.000001724 0.55317 27.5542
147 4FL3 ANP 0.00000001941 0.68502 28.1734
148 3PP0 03Q 0.000002055 0.5693 28.483
149 5HCY 60D 0.0000003631 0.53386 28.483
150 2H8H H8H 0.000000009816 0.72439 28.7926
151 1Y57 MPZ 0.00000001015 0.69021 28.7926
152 5C03 AGS 0.000002501 0.60685 28.7926
153 3TTI KBI 0.000000454 0.59201 28.7926
154 4WHZ 3NL 0.000001731 0.49768 28.7926
155 3EKK GS2 0.0000001481 0.57212 28.9902
156 3BU5 ATP 0.000000007367 0.73048 29.085
157 3H9R TAK 0.0000003456 0.69313 29.1022
158 4IZY 1J2 0.00000007374 0.6657 29.1022
159 3UIM ANP 0.0000002854 0.6529 29.1022
160 4CRL C1I 0.0000009316 0.55486 29.1022
161 3C1X CKK 0.0001646 0.50374 29.1022
162 5EOB 5QQ 0.000008808 0.4651 29.1536
163 4WOV 3SM 0.000001123 0.64725 29.3375
164 4UX9 ANP 0.0000001389 0.65277 29.4118
165 4XH0 ADP 0.00001572 0.61547 29.4118
166 4ASE AV9 0.000001532 0.56965 29.4118
167 1U5R ATP 0.003037 0.40628 29.4118
168 2XVD AS6 0.0000003393 0.59196 29.4702
169 5U6C 7YS 0.0000001635 0.64232 29.5238
170 3PLS ANP 0.00000001256 0.7285 29.5302
171 3NW7 LGV 0.00008993 0.42065 29.6417
172 3KRL KRL 0.000000001513 0.73617 29.7214
173 5AWM ANP 0.000001042 0.65771 29.7214
174 3E7O 35F 0.000006307 0.52632 29.7214
175 3E8N ATP 0.000008668 0.48333 29.7214
176 3E8N VRA 0.000008668 0.48333 29.7214
177 4AG8 AXI 0.0000001216 0.57992 29.7468
178 4BKJ STI 0.00134 0.45133 29.8413
179 3LXN MI1 0.000000002125 0.73811 29.8742
180 3LXK MI1 0.000000007676 0.66704 30.031
181 4P5Z Q7M 0.000004706 0.51221 30.031
182 2B9J ADP 0.00000001991 0.71851 30.3406
183 2B9I ADP 0.00000001828 0.7112 30.3406
184 2B9F ADP 0.00000003463 0.69764 30.3406
185 5T8O 76Z 0.0000004107 0.63064 30.3406
186 3VRY B43 0.00001925 0.53201 30.3406
187 2B9H ADP 0.00000002067 0.42841 30.3406
188 5NKB 8ZT 0.0000003342 0.54262 30.3922
189 1K3A ACP 0.0000009481 0.65107 30.4348
190 2OO8 RAJ 0.0007829 0.47247 30.5994
191 4IDT T28 0.000000008042 0.73814 30.6502
192 3GC8 B45 0.000003649 0.58008 30.6502
193 2X2M X2M 0.000000001989 0.73068 30.8917
194 5LPZ ADP 0.0000002852 0.65292 30.9598
195 4XLI 1N1 0.00000004628 0.70026 30.9701
196 4LOO SB4 0.0001895 0.51503 31.0345
197 2PVF ACP 0.000000002097 0.76724 31.2694
198 4Y93 746 0.0000009528 0.58916 31.2694
199 3RI1 3RH 0.000000002966 0.69158 31.3099
200 4GJ3 0XP 0.000000000527 0.69508 31.457
201 2WU6 DKI 0.000000002064 0.72156 31.5789
202 3GQI ACP 0.00000001301 0.71841 31.5789
203 4NST ADP 0.0000001068 0.67375 31.5789
204 3PVW QRX 0.00000001502 0.66125 31.5789
205 3GNI ATP 0.0000005839 0.62346 31.5789
206 5UKL SIX 0.0000006983 0.43309 31.5789
207 4TWP AXI 0.0000001631 0.54208 31.7343
208 3HMO STU 0.00000004838 0.69929 31.8885
209 4K33 ACP 0.00000008841 0.66969 31.8885
210 4KBA 1QM 0.00006187 0.50163 31.8885
211 2Y6O 1N1 0.0000003196 0.62889 31.9588
212 5JGA 6KC 0.0000001216 0.5945 32.0635
213 5HX8 66P 0.00000000007787 0.75963 32.1192
214 2QLU ADE 0.000001944 0.66198 32.1656
215 5USZ SKE 0.00000009848 0.62011 32.1799
216 5EFQ ADP 0.00000005066 0.68957 32.1981
217 5JKG 6LF 0.000001111 0.53537 32.4759
218 4WNK 453 0.000000006719 0.65658 32.5077
219 5EKO N17 0.0001521 0.50095 32.5077
220 5N87 N66 0.00000009977 0.58319 32.5879
221 5X8I SQZ 0.0000000006446 0.78217 32.8173
222 4YLL 4E3 0.0000003919 0.42436 32.8173
223 3G5D 1N1 0.00000005185 0.52415 32.8671
224 3BZ3 YAM 0.0000009642 0.48573 32.971
225 4E1Z 0MX 0.000000004311 0.70706 32.9897
226 5MJA 7O3 0.00000158 0.63147 33.1148
227 5KO1 6UY 0.0000003746 0.65499 33.2155
228 4CLI 5P8 0.0000002795 0.48926 33.3333
229 5LXC 7AA 0.000000002235 0.42131 33.4365
230 5UR1 YY9 0.0000004134 0.53559 33.4405
231 1U59 STU 0.00000000002878 0.84812 33.4495
232 3KRR DQX 0.000000009968 0.51527 33.5593
233 2BPM 529 0.000000002321 0.59173 33.657
234 5TO8 7FM 0.0000009075 0.53473 33.6879
235 5LPB ADP 0.0000003019 0.68632 33.7838
236 5VC5 96M 0.00000000642 0.67033 33.91
237 4E93 GUI 0.0000003938 0.57421 34.3653
238 5HES 032 0.000000339 0.40828 34.5277
239 4BCM T7Z 0.0000001799 0.71956 34.5515
240 4BCQ TJF 0.0000002083 0.69488 34.5515
241 4CFU 2WC 0.000000002362 0.77525 34.6535
242 2OFV 242 0.000000645 0.55237 34.657
243 3SRV S19 0.00000000171 0.43283 34.657
244 4BCN T9N 0.000000001833 0.79218 34.6667
245 4CSV STI 0.00002997 0.53292 34.9091
246 5LMK 6ZK 0.0000002709 0.67044 35.0168
247 4QMN DB8 0.000000007808 0.62527 35.1613
248 4F4P 0SB 0.0000005944 0.48114 35.1648
249 1JPA ANP 0.000004512 0.62463 35.2564
250 4EWH T77 0.000000007009 0.66871 35.2727
251 4AT3 LTI 0.000002104 0.55423 35.4515
252 4YMJ 4EJ 0.0000002681 0.71529 35.5263
253 1UNH IXM 0.0000000153 0.74426 35.6164
254 3O0G 3O0 0.0000000006543 0.43653 35.6164
255 4YZC STU 0.00000003036 0.49213 35.9133
256 5JFS 6K0 0.000007554 0.43821 36.039
257 5LI1 ANP 0.000000005563 0.71007 36.2229
258 4D2S DYK 0.0000001096 0.69979 36.2676
259 2HK5 1BM 0.0000003919 0.63159 36.2963
260 1BYG STU 0.00000001292 0.7377 36.3309
261 4RFM 3P6 0.0000888 0.44169 36.4662
262 4WB6 ATP 0.00000006639 0.63347 36.5325
263 4Y85 499 0.0000008738 0.63666 36.8421
264 3FHI ANP 0.00000009385 0.627 36.8421
265 4WB7 ATP 0.000001734 0.53603 36.8421
266 3IDB ANP 0.000000007621 0.69585 37.1517
267 2QCS ANP 0.00000005328 0.63758 37.1517
268 2GU8 796 0.000000003247 0.56012 37.1517
269 1ZY5 ANP 0.00000007943 0.68856 37.2937
270 5FBN 5WF 0.000002164 0.53639 37.6384
271 4U0I 0LI 0.000006155 0.53086 37.7778
272 5H2U 1N1 0.000007864 0.58254 37.8277
273 5DA3 58V 0.0000003457 0.68319 38.1132
274 5UOX 8GY 0.0000000004009 0.76279 38.3764
275 4H3P ANP 0.0000000739 0.68156 38.3901
276 4H3Q ANP 0.0000007651 0.60512 38.3901
277 5BVE 4VG 0.00000005616 0.50108 38.3901
278 3SLS ANP 0.0000006571 0.61444 38.4868
279 3SLS 77D 0.01964 0.41636 38.4868
280 1CM8 ANP 0.000003902 0.60426 38.6997
281 2F57 23D 0.00000001169 0.73991 38.8013
282 3SXS PP2 0.0000005664 0.62408 38.806
283 3F7Z 34O 0.000000001506 0.76416 39.0093
284 3ZRM ZRM 0.00000001082 0.72233 39.0093
285 4NM5 ADP 0.000000005677 0.70164 39.0093
286 2JLD AG1 0.000000000762 0.67578 39.0093
287 4QTB 38Z 0.0000000659 0.62161 39.9381
288 4BHN BH9 0.000000001246 0.749 40.5573
289 3ALN ANP 0.000002411 0.59451 40.8669
290 5BYZ 4WE 0.0000009925 0.56286 41.4861
291 1VJY 460 0.0000001352 0.59268 42.5743
292 3HZT J60 0.0000001241 0.70685 43.0341
293 5TA6 79D 0.00000006887 0.62669 43.3437
294 3SXF BK5 0.000006138 0.51892 44.582
295 5HQ0 LZ9 0.00000000417 0.72434 44.702
296 2A19 ANP 0.000000006433 0.77519 44.7183
297 4I6H 1C8 0.000001372 0.61958 44.8052
298 3IGO ANP 0.000004156 0.57747 45.8204
299 4L9I 8PR 0.000000171 0.67197 46.7492
300 2ZV2 609 0.00000001715 0.75254 47.3154
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