Receptor
PDB id Resolution Class Description Source Keywords
2xj2 2.2 Å EC: 2.7.11.1 PROTEIN KINASE PIM-1 IN COMPLEX WITH SMALL MOLECULE INHIBITOR HOMO SAPIENS TRANSFERASE PHOSPHORYLATION PROTEIN KINASE FOLD
Ref.: CRYSTALLOGRAPHIC FRAGMENT SCREEN IDENTIFIES CINNAMI DERIVATIVES AS STARTING POINTS FOR POTENT PIM-1 INH ACTA CRYSTALLOGR.,SECT.D V. 67 156 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
985 A:1001;
Valid;
none;
Kd = 66 nM
338.404 C19 H22 N4 O2 CN1CC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VBQ 1.85 Å EC: 2.7.11.1 EXPLOITATION OF HYDROGEN BONDING CONSTRAINTS AND FLAT HYDROP ENERGY LANDSCAPES IN PIM-1 KINASE NEEDLE SCREENING AND INHID ESIGN HOMO SAPIENS PIM1 ROSSMANN FOLD TRANSFERASE-TRANSFERASE INHIBITOR COMPL
Ref.: IMPLICATIONS OF PROMISCUOUS PIM-1 KINASE FRAGMENT I HYDROPHOBIC INTERACTIONS FOR FRAGMENT-BASED DRUG DE J.MED.CHEM. V. 55 2641 2012
Members (44)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 129 families.
1 4ALW ic50 = 27 nM HY7 C16 H17 Br N4 O2 CN1CCN(CC1....
2 3BGZ Ki = 0.55 uM VX3 C21 H15 N O2 c1ccc(cc1)....
3 2XIZ - XIZ C8 H7 N O2 c1cnccc1C=....
4 1YXU - AMP C10 H14 N5 O7 P c1nc(c2c(n....
5 1XWS - BI1 C25 H24 N4 O2 CN(C)CCCn1....
6 3R04 ic50 = 0.12 uM UNQ C19 H20 N4 O3 c1cc2c(cc1....
7 1YI3 ic50 = 4 uM LY2 C19 H17 N O3 c1ccc(cc1)....
8 2XJ2 Kd = 66 nM 985 C19 H22 N4 O2 CN1CCCN(CC....
9 2C3I Kd = 25 nM IYZ C18 H18 N4 O CC(=O)c1cc....
10 3VBW ic50 = 6 uM 0FN C10 H5 N O2 c1ccc2c(c1....
11 1YI4 - ADN C10 H13 N5 O4 c1nc(c2c(n....
12 3F2A ic50 = 57 nM 985 C19 H22 N4 O2 CN1CCCN(CC....
13 3R00 ic50 = 8.5 uM UNJ C9 H5 Br O3 c1cc2c(cc1....
14 3A99 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
15 3C4E ic50 ~ 100 uM C4E C13 H11 N3 c1ccc(cc1)....
16 3MA3 ic50 = 60 nM 01I C16 H8 O6 c1cc2c(cc(....
17 2XIX - XIX C2 H5 N5 c1([nH]nc(....
18 2J2I ic50 = 0.2 uM LY4 C28 H28 N4 O3 CN(C)CC1CC....
19 3VBX ic50 = 17 uM 0FO C9 H5 Br O3 c1cc2c(cc1....
20 3VBQ ic50 = 470 pM 0F5 C20 H23 N5 O2 S c1cc(cc(c1....
21 2OI4 ic50 = 2.5 nM JM1 C23 H12 F N3 O3 Ru c1ccc2c(c1....
22 2OBJ ic50 = 0.05 uM VRV C18 H11 Br N2 O2 c1ccc(cc1)....
23 3WE8 - RUI C18 H7 N2 O2 Ru c1cc2c3c4c....
24 2O3P ic50 = 1.1 uM QUE C15 H10 O7 c1cc(c(cc1....
25 3VBY ic50 = 28 uM 0FR C13 H9 N O2 c1ccc2c(c1....
26 3BWF ic50 = 0.6 nM DWC C23 H9 N3 O4 Os c1cc2c3c(c....
27 2XIY - XIY C8 H8 N2 O c1ccc2c(c1....
28 4BZO ic50 = 0.013 uM 676 C22 H22 F N5 O2 c1ccc(cc1)....
29 4A7C ic50 = 0.006 uM E46 C18 H19 F3 N6 O c1cc(cc(c1....
30 3BGQ Ki = 11 nM VX2 C18 H18 F3 N5 c1cc(cc(c1....
31 3R02 ic50 = 0.001 uM UNM C15 H17 Br N2 O3 c1c2cc(oc2....
32 4K18 Ki = 1.1 nM 1OB C21 H14 F N5 O2 c1cc(ccc1C....
33 4K0Y Ki = 15 nM 1OA C18 H18 F N5 O2 c1cc(ccc1N....
34 4DTK ic50 < 0.004 uM 7LI C18 H23 N3 O3 S CC(C)Oc1cc....
35 2BIK - BI1 C25 H24 N4 O2 CN(C)CCCn1....
36 4BZN ic50 = 1.441 uM UGX C18 H23 N3 O2 S CC(C)(C)CN....
37 3VBV ic50 = 10 uM 0FK C10 H8 N2 O2 c1cc2ccc(n....
38 3UIX ic50 = 0.151 uM Q17 C17 H18 N4 O c1ccc2c(c1....
39 1YXV - LI6 C10 H9 N O3 CN1c2ccccc....
40 3UMW ic50 = 3 nM 596 C22 H22 N4 O3 COc1ccc2c(....
41 1YHS ic50 = 0.01 uM STU C28 H26 N4 O3 CC12C(C(CC....
42 2XJ1 Kd = 28 nM XJ1 C19 H22 N4 O2 c1cc(cc(c1....
43 2O64 Kd = 0.34 uM MYU C15 H10 O8 c1cc(c(cc1....
44 4AS0 - RPS C20 H19 N2 O3 Ru S3 c1c2c(cc3c....
70% Homology Family (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 94 families.
1 4ALW ic50 = 27 nM HY7 C16 H17 Br N4 O2 CN1CCN(CC1....
2 3BGZ Ki = 0.55 uM VX3 C21 H15 N O2 c1ccc(cc1)....
3 2XIZ - XIZ C8 H7 N O2 c1cnccc1C=....
4 1YXU - AMP C10 H14 N5 O7 P c1nc(c2c(n....
5 1XWS - BI1 C25 H24 N4 O2 CN(C)CCCn1....
6 3R04 ic50 = 0.12 uM UNQ C19 H20 N4 O3 c1cc2c(cc1....
7 1YI3 ic50 = 4 uM LY2 C19 H17 N O3 c1ccc(cc1)....
8 2XJ2 Kd = 66 nM 985 C19 H22 N4 O2 CN1CCCN(CC....
9 2C3I Kd = 25 nM IYZ C18 H18 N4 O CC(=O)c1cc....
10 3VBW ic50 = 6 uM 0FN C10 H5 N O2 c1ccc2c(c1....
11 1YI4 - ADN C10 H13 N5 O4 c1nc(c2c(n....
12 3F2A ic50 = 57 nM 985 C19 H22 N4 O2 CN1CCCN(CC....
13 3R00 ic50 = 8.5 uM UNJ C9 H5 Br O3 c1cc2c(cc1....
14 3A99 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
15 3C4E ic50 ~ 100 uM C4E C13 H11 N3 c1ccc(cc1)....
16 3MA3 ic50 = 60 nM 01I C16 H8 O6 c1cc2c(cc(....
17 2XIX - XIX C2 H5 N5 c1([nH]nc(....
18 2J2I ic50 = 0.2 uM LY4 C28 H28 N4 O3 CN(C)CC1CC....
19 3VBX ic50 = 17 uM 0FO C9 H5 Br O3 c1cc2c(cc1....
20 3VBQ ic50 = 470 pM 0F5 C20 H23 N5 O2 S c1cc(cc(c1....
21 2OI4 ic50 = 2.5 nM JM1 C23 H12 F N3 O3 Ru c1ccc2c(c1....
22 2OBJ ic50 = 0.05 uM VRV C18 H11 Br N2 O2 c1ccc(cc1)....
23 3WE8 - RUI C18 H7 N2 O2 Ru c1cc2c3c4c....
24 2O3P ic50 = 1.1 uM QUE C15 H10 O7 c1cc(c(cc1....
25 3VBY ic50 = 28 uM 0FR C13 H9 N O2 c1ccc2c(c1....
26 3BWF ic50 = 0.6 nM DWC C23 H9 N3 O4 Os c1cc2c3c(c....
27 2XIY - XIY C8 H8 N2 O c1ccc2c(c1....
28 4BZO ic50 = 0.013 uM 676 C22 H22 F N5 O2 c1ccc(cc1)....
29 4A7C ic50 = 0.006 uM E46 C18 H19 F3 N6 O c1cc(cc(c1....
30 3BGQ Ki = 11 nM VX2 C18 H18 F3 N5 c1cc(cc(c1....
31 3R02 ic50 = 0.001 uM UNM C15 H17 Br N2 O3 c1c2cc(oc2....
32 4K18 Ki = 1.1 nM 1OB C21 H14 F N5 O2 c1cc(ccc1C....
33 4K0Y Ki = 15 nM 1OA C18 H18 F N5 O2 c1cc(ccc1N....
34 4DTK ic50 < 0.004 uM 7LI C18 H23 N3 O3 S CC(C)Oc1cc....
35 2BIK - BI1 C25 H24 N4 O2 CN(C)CCCn1....
36 4BZN ic50 = 1.441 uM UGX C18 H23 N3 O2 S CC(C)(C)CN....
37 3VBV ic50 = 10 uM 0FK C10 H8 N2 O2 c1cc2ccc(n....
38 3UIX ic50 = 0.151 uM Q17 C17 H18 N4 O c1ccc2c(c1....
39 1YXV - LI6 C10 H9 N O3 CN1c2ccccc....
40 3UMW ic50 = 3 nM 596 C22 H22 N4 O3 COc1ccc2c(....
41 1YHS ic50 = 0.01 uM STU C28 H26 N4 O3 CC12C(C(CC....
42 2XJ1 Kd = 28 nM XJ1 C19 H22 N4 O2 c1cc(cc(c1....
43 2O64 Kd = 0.34 uM MYU C15 H10 O8 c1cc(c(cc1....
44 4AS0 - RPS C20 H19 N2 O3 Ru S3 c1c2c(cc3c....
45 4MBI - 26K C13 H17 N7 CN(C)CCNc1....
46 3VBT ic50 = 37 uM 0F9 C9 H7 Cl N2 O c1cc(c(cc1....
47 2O63 Kd = 0.78 uM MYC C15 H10 O8 c1c(cc(c(c....
48 1YXX - LI7 C14 H10 N2 O2 c1ccc2c(c1....
49 3VC4 ic50 = 24 nM 0FS C11 H6 F3 N O2 S c1cc(cc(c1....
50 4K1B Ki = 0.003 nM 1OC C26 H24 F2 N8 O c1ccc(c(c1....
51 4N70 Ki = 0.001 nM 2HX C23 H22 F3 N5 O2 CC1CN(CC(C....
52 4N6Z Ki = 16 nM 2HW C15 H19 N7 O c1cncc(c1N....
50% Homology Family (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 68 families.
1 4ALW ic50 = 27 nM HY7 C16 H17 Br N4 O2 CN1CCN(CC1....
2 3BGZ Ki = 0.55 uM VX3 C21 H15 N O2 c1ccc(cc1)....
3 2XIZ - XIZ C8 H7 N O2 c1cnccc1C=....
4 1YXU - AMP C10 H14 N5 O7 P c1nc(c2c(n....
5 1XWS - BI1 C25 H24 N4 O2 CN(C)CCCn1....
6 3R04 ic50 = 0.12 uM UNQ C19 H20 N4 O3 c1cc2c(cc1....
7 1YI3 ic50 = 4 uM LY2 C19 H17 N O3 c1ccc(cc1)....
8 2XJ2 Kd = 66 nM 985 C19 H22 N4 O2 CN1CCCN(CC....
9 2C3I Kd = 25 nM IYZ C18 H18 N4 O CC(=O)c1cc....
10 3VBW ic50 = 6 uM 0FN C10 H5 N O2 c1ccc2c(c1....
11 1YI4 - ADN C10 H13 N5 O4 c1nc(c2c(n....
12 3F2A ic50 = 57 nM 985 C19 H22 N4 O2 CN1CCCN(CC....
13 3R00 ic50 = 8.5 uM UNJ C9 H5 Br O3 c1cc2c(cc1....
14 3A99 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
15 3C4E ic50 ~ 100 uM C4E C13 H11 N3 c1ccc(cc1)....
16 3MA3 ic50 = 60 nM 01I C16 H8 O6 c1cc2c(cc(....
17 2XIX - XIX C2 H5 N5 c1([nH]nc(....
18 2J2I ic50 = 0.2 uM LY4 C28 H28 N4 O3 CN(C)CC1CC....
19 3VBX ic50 = 17 uM 0FO C9 H5 Br O3 c1cc2c(cc1....
20 3VBQ ic50 = 470 pM 0F5 C20 H23 N5 O2 S c1cc(cc(c1....
21 2OI4 ic50 = 2.5 nM JM1 C23 H12 F N3 O3 Ru c1ccc2c(c1....
22 2OBJ ic50 = 0.05 uM VRV C18 H11 Br N2 O2 c1ccc(cc1)....
23 3WE8 - RUI C18 H7 N2 O2 Ru c1cc2c3c4c....
24 2O3P ic50 = 1.1 uM QUE C15 H10 O7 c1cc(c(cc1....
25 3VBY ic50 = 28 uM 0FR C13 H9 N O2 c1ccc2c(c1....
26 3BWF ic50 = 0.6 nM DWC C23 H9 N3 O4 Os c1cc2c3c(c....
27 2XIY - XIY C8 H8 N2 O c1ccc2c(c1....
28 4BZO ic50 = 0.013 uM 676 C22 H22 F N5 O2 c1ccc(cc1)....
29 4A7C ic50 = 0.006 uM E46 C18 H19 F3 N6 O c1cc(cc(c1....
30 3BGQ Ki = 11 nM VX2 C18 H18 F3 N5 c1cc(cc(c1....
31 3R02 ic50 = 0.001 uM UNM C15 H17 Br N2 O3 c1c2cc(oc2....
32 4K18 Ki = 1.1 nM 1OB C21 H14 F N5 O2 c1cc(ccc1C....
33 4K0Y Ki = 15 nM 1OA C18 H18 F N5 O2 c1cc(ccc1N....
34 4DTK ic50 < 0.004 uM 7LI C18 H23 N3 O3 S CC(C)Oc1cc....
35 2BIK - BI1 C25 H24 N4 O2 CN(C)CCCn1....
36 4BZN ic50 = 1.441 uM UGX C18 H23 N3 O2 S CC(C)(C)CN....
37 3VBV ic50 = 10 uM 0FK C10 H8 N2 O2 c1cc2ccc(n....
38 3UIX ic50 = 0.151 uM Q17 C17 H18 N4 O c1ccc2c(c1....
39 1YXV - LI6 C10 H9 N O3 CN1c2ccccc....
40 3UMW ic50 = 3 nM 596 C22 H22 N4 O3 COc1ccc2c(....
41 1YHS ic50 = 0.01 uM STU C28 H26 N4 O3 CC12C(C(CC....
42 2XJ1 Kd = 28 nM XJ1 C19 H22 N4 O2 c1cc(cc(c1....
43 2O64 Kd = 0.34 uM MYU C15 H10 O8 c1cc(c(cc1....
44 4AS0 - RPS C20 H19 N2 O3 Ru S3 c1c2c(cc3c....
45 4MBI - 26K C13 H17 N7 CN(C)CCNc1....
46 3VBT ic50 = 37 uM 0F9 C9 H7 Cl N2 O c1cc(c(cc1....
47 2O63 Kd = 0.78 uM MYC C15 H10 O8 c1c(cc(c(c....
48 1YXX - LI7 C14 H10 N2 O2 c1ccc2c(c1....
49 3VC4 ic50 = 24 nM 0FS C11 H6 F3 N O2 S c1cc(cc(c1....
50 4K1B Ki = 0.003 nM 1OC C26 H24 F2 N8 O c1ccc(c(c1....
51 4N70 Ki = 0.001 nM 2HX C23 H22 F3 N5 O2 CC1CN(CC(C....
52 4N6Z Ki = 16 nM 2HW C15 H19 N7 O c1cncc(c1N....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 985; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 985 1 1
2 XJ1 0.453608 0.618182
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VBQ; Ligand: 0F5; Similar sites found: 488
This union binding pocket(no: 1) in the query (biounit: 3vbq.bio1) has 44 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2V7O DRN 0.00000001001 0.7674
2 4BCN T9N 0.000000003623 0.75604
3 1XJD STU 0.000000001388 0.75583
4 4BCN T9N 0.00000000889 0.74705
5 4OTH DRN 0.000000004665 0.74026
6 2JLD AG1 0.00000000003405 0.73946
7 1PHK ATP 0.000000002141 0.73718
8 3F7Z 34O 0.00000001779 0.7316
9 1U59 STU 0.000000004455 0.73147
10 3F7Z 34O 0.000000007124 0.73123
11 3TXO 07U 0.00000001175 0.73043
12 3TXO 07U 0.00000001175 0.73043
13 3SRV S19 0.00000000811 0.72846
14 4MQ1 2C3 0.000000001428 0.72727
15 4CFU 2WC 0.00000001726 0.72204
16 2F2U M77 0.00000005698 0.71595
17 4H3P ANP 0.0000000111 0.71239
18 3SRV S19 0.00000002749 0.7119
19 3GQI ACP 0.00000001237 0.71012
20 2F2U M77 0.00000008252 0.70751
21 4MQ1 2C3 0.000000006393 0.70605
22 4MQ1 2C3 0.000000006534 0.70561
23 2JLD AG1 0.000000000112 0.70434
24 4CFU 2WC 0.00000007105 0.70078
25 4MQ1 2C3 0.000000013 0.70023
26 2PVF ACP 0.00000003235 0.69896
27 4H3P ANP 0.00000002156 0.69852
28 4DC2 ADE 0.0000004856 0.69805
29 4OTI MI1 0.00000002427 0.69604
30 4E6Q 0NV 0.00000002095 0.69045
31 2JLD AG1 0.0000000001717 0.6904
32 3IDB ANP 0.000000006535 0.68931
33 4E6Q 0NV 0.00000001691 0.6865
34 3UIM ANP 0.00000004067 0.68525
35 4IVD 15T 0.00000002244 0.68082
36 4IVD 15T 0.00000002285 0.68045
37 4IDT T28 0.0000000806 0.67949
38 2CSN CKI 0.000000003399 0.67926
39 2VZ6 FEF 0.0000003079 0.67753
40 4BCQ TJF 0.0000003365 0.6755
41 2VAG V25 0.00000006673 0.67491
42 4E4N 0NL 0.00000004481 0.67488
43 4E4N 0NL 0.00000007001 0.67391
44 2WU6 DKI 0.00000001878 0.66887
45 3BU5 ATP 0.00000009082 0.66847
46 1V0O INR 0.00000009225 0.66814
47 4K77 1Q4 0.0000007818 0.66581
48 3HZT J60 0.0000005405 0.66471
49 2VN9 GVD 0.000001263 0.66449
50 2ZV2 609 0.0000005525 0.66422
51 3LXN MI1 0.0000000548 0.66287
52 2A19 ANP 0.0000005868 0.66284
53 2QCS ANP 0.000000008917 0.66154
54 3PLS ANP 0.0000002012 0.65998
55 1U5R ATP 0.0000001519 0.65772
56 1V0O INR 0.0000001084 0.65678
57 1U5R ATP 0.0000002381 0.65638
58 1U5R ATP 0.0000002381 0.65638
59 4BCQ TJF 0.00000135 0.65307
60 4FL3 ANP 0.00000006546 0.65184
61 4BHN BH9 0.0000000667 0.65146
62 4E6D 0NU 0.0000001457 0.65072
63 4IVC 1J6 0.0000001485 0.65033
64 4AU8 Z3R 0.000001037 0.64988
65 4AU8 Z3R 0.000001037 0.64988
66 3ALN ANP 0.0000003715 0.6469
67 4Q5H ANP 0.0000002554 0.64686
68 1CM8 ANP 0.0000003809 0.64637
69 4E4L 0NH 0.0000005714 0.64581
70 4K77 1Q4 0.000001265 0.64536
71 3FHI ANP 0.00000002195 0.64498
72 2B9J ADP 0.000000408 0.6449
73 3HMO STU 0.000000412 0.64469
74 2VN9 GVD 0.000001963 0.64435
75 1CM8 ANP 0.0000004302 0.64377
76 4E4L 0NH 0.0000006715 0.64229
77 3ZRM ZRM 0.0000003253 0.64181
78 2B9I ADP 0.0000003478 0.64041
79 2B9F ADP 0.0000003621 0.63957
80 3EYG MI1 0.0000002688 0.63818
81 4EHZ JAK 0.000001225 0.6374
82 4CCU AWF 0.0000005875 0.63712
83 4EI4 0Q2 0.000001248 0.63699
84 4IVC 1J6 0.0000002935 0.63637
85 4BHN BH9 0.00000007089 0.63632
86 4H3Q ANP 0.0000001026 0.63598
87 3BRB ADP 0.000002879 0.63541
88 4E4L 0NH 0.000000651 0.63493
89 4K33 ACP 0.0000003268 0.63417
90 4FG8 ATP 0.0000001634 0.6338
91 4IVB 1J5 0.000001081 0.63193
92 4AU8 Z3R 0.000002299 0.63175
93 4IZY 1J2 0.0000002642 0.63127
94 4CNH 3U9 0.000000569 0.63012
95 1BYG STU 0.000001205 0.62956
96 4EI4 0Q2 0.000001897 0.62765
97 3EQR T74 0.00000007943 0.62763
98 4IVB 1J5 0.0000009608 0.62663
99 1RE8 BD2 0.0000000001514 0.62545
100 3RI1 3RH 0.00000006482 0.62509
101 4EHZ JAK 0.000002242 0.62394
102 3A7H ATP 0.000001091 0.62393
103 3A7H ATP 0.000001091 0.62393
104 2VZ6 FEF 0.000002396 0.62246
105 4ORK GDP 0.000002416 0.62227
106 3RI1 3RH 0.00000007771 0.62175
107 4EHZ JAK 0.000002476 0.62173
108 3EYH IZA 0.0000009365 0.61971
109 4OAV ACP 0.00000133 0.6197
110 3SLS ANP 0.000000353 0.61861
111 4EHZ JAK 0.000002908 0.61815
112 3THB 3TA 0.000000007105 0.61728
113 3THB 3TA 0.000000007105 0.61728
114 2X2M X2M 0.0000003777 0.61727
115 4C4F 7CE 0.000000553 0.61642
116 3ALN ANP 0.000004609 0.61591
117 4FG8 ATP 0.0000005715 0.61576
118 3BRB ADP 0.000007154 0.6142
119 4X0M 3WA 0.0000125 0.614
120 2ZM3 575 0.000005074 0.61372
121 3EQR T74 0.0000001219 0.61348
122 3EQR T74 0.0000001219 0.61348
123 3ALN ANP 0.0000006516 0.61312
124 4E1Z 0MX 0.0000003371 0.61295
125 1ZY5 ANP 0.000001892 0.61219
126 3SLS ANP 0.0000005139 0.6112
127 4GJ3 0XP 0.00000003805 0.61104
128 4X2K 3WO 0.000002918 0.6103
129 4X2J 3WN 0.000002918 0.6103
130 4O1P ANP 0.00000211 0.60985
131 4AUA 4AU 0.00001301 0.60878
132 4QTB 38Z 0.00000009323 0.60662
133 3BI6 396 0.0000007237 0.60444
134 4HNF 16W 0.000002839 0.60353
135 3GC0 AMP 0.000005641 0.6034
136 3TDV GDP 0.000002198 0.60188
137 1ZTH ADP 0.000008576 0.60177
138 3ZBF VGH 0.00000434 0.60165
139 4HNF 16W 0.000008826 0.60112
140 4CD0 AWJ 0.0000008945 0.60026
141 3A7H ATP 0.0000218 0.59997
142 1ZTH ADP 0.000009324 0.59987
143 4QTB 38Z 0.000000139 0.59952
144 4AOI 4K0 0.000004934 0.59886
145 3TDV GDP 0.000002694 0.59763
146 4O1P ANP 0.00000272 0.59743
147 2ZM3 575 0.0000106 0.59695
148 4PNI KQQ 0.0000001758 0.59534
149 3A8W ATP 0.00000306 0.59497
150 2H8H H8H 0.000003073 0.59488
151 4ORK GDP 0.000004602 0.59323
152 1Y57 MPZ 0.0000009345 0.5932
153 4MKC 4MK 0.000001796 0.59275
154 4ORK GDP 0.000003823 0.59031
155 2ZM3 575 0.00001028 0.59004
156 1O9U ADZ 0.00002062 0.58994
157 1ZP9 ATP 0.000005376 0.58991
158 3A8W ATP 0.000003924 0.58977
159 3A8W ATP 0.000003924 0.58977
160 1ZP9 ATP 0.000005551 0.58923
161 4TWC 37J 0.000005831 0.58818
162 1ZTH ADP 0.00001612 0.5874
163 3IGO ANP 0.000001731 0.58724
164 4DCE 0JF 0.00000176 0.58691
165 3LXK MI1 0.0000004045 0.58589
166 3PVW QRX 0.0000005924 0.58443
167 2P2H 994 0.00000995 0.58358
168 2HK5 1BM 0.000003332 0.58033
169 2WEL K88 0.00005293 0.57984
170 2ZM3 575 0.00001653 0.57947
171 3GNI ATP 0.000003527 0.57919
172 1ZTH ADP 0.00001677 0.57915
173 4CLJ 5P8 0.000009166 0.57853
174 3V8T 477 0.000001136 0.57789
175 3GC8 B45 0.000002859 0.57735
176 4CNH 3U9 0.00002559 0.57688
177 2EVA ADN 0.0000003815 0.57638
178 4ORK GDP 0.00001421 0.57581
179 3TTI KBI 0.000005944 0.57475
180 4FK6 0UJ 0.00001102 0.57461
181 1OPK P16 0.000003347 0.57424
182 4FK6 0UJ 0.00001171 0.5733
183 1VJY 460 0.000001272 0.57038
184 4DCE 0JF 0.0000056 0.56989
185 3GC8 B45 0.00000333 0.5686
186 3EKK GS2 0.000003423 0.56807
187 2BPM 529 0.000000001471 0.56807
188 2O2U 738 0.00002213 0.56616
189 3PP0 03Q 0.000003848 0.5658
190 4E93 GUI 0.0000004394 0.5641
191 4FOB 0US 0.000004645 0.56215
192 4CTB KVC 0.00001101 0.56211
193 2Y6O 1N1 0.000006206 0.56206
194 4TW9 386 0.00002142 0.56043
195 4TWC 37J 0.00001239 0.55969
196 1ZP9 ATP 0.00003194 0.55818
197 3KRL KRL 0.000007668 0.55789
198 3HAV ATP 0.0001337 0.55708
199 3ZOS 0LI 0.00004566 0.55685
200 3QUP LUN 0.000026 0.5563
201 4GYI ADP 0.00004911 0.55522
202 1ZP9 ATP 0.00003808 0.55434
203 4KBC 1QJ 0.00005842 0.55136
204 4KBC 1QJ 0.00005842 0.55136
205 2F57 23D 0.00004827 0.54918
206 4NWM 2P5 0.000009142 0.54904
207 1XKK FMM 0.0000002858 0.54881
208 4AT3 LTI 0.0000438 0.54517
209 4KNB 1RU 0.000061 0.54408
210 1TQP ATP 0.000009741 0.54267
211 4MK0 29X 0.000009926 0.54231
212 3UDZ ADP 0.00002918 0.54215
213 4KNB 1RU 0.00006729 0.54194
214 2PYW ADP 0.00002258 0.54187
215 4DEH 0JK 0.00009448 0.54066
216 4AZW ATP 0.00002509 0.53975
217 4KNB 1RU 0.000105 0.5383
218 4PMT 31Y 0.00003579 0.53797
219 2WEI VGG 0.00008274 0.53744
220 4KBC 1QJ 0.0001134 0.53659
221 3PP0 03Q 0.000008172 0.53621
222 2BPM 529 0.000000008373 0.53612
223 3UDZ ADP 0.00004048 0.53544
224 3UDZ ADP 0.00004048 0.53544
225 4FOC 0UU 0.00007062 0.53498
226 4KBA 1QM 0.000128 0.5339
227 3VHE 42Q 0.000004584 0.5329
228 2GU8 796 0.000000006129 0.53222
229 3LKM AMP 0.00004773 0.53207
230 2PUL ACP 0.00008308 0.53152
231 2PUL ACP 0.00008308 0.53152
232 3SG8 TOY 0.000005264 0.53048
233 3SG8 TOY 0.000005264 0.53048
234 3SXS PP2 0.00004358 0.52866
235 1JPA ANP 0.0001492 0.52861
236 4OCV ANP 0.00005845 0.52792
237 3H9R TAK 0.0003913 0.52089
238 2XVD AS6 0.00001169 0.52075
239 4KBA 1QM 0.0001127 0.5196
240 4KBA 1QM 0.0001463 0.51945
241 3PDT ADP 0.0001922 0.51908
242 4KNB 1RU 0.0002048 0.51769
243 2QU6 857 0.00004826 0.51682
244 4AG8 AXI 0.000007739 0.51548
245 4CYI ATP 0.00006817 0.5148
246 4F4P 0SB 0.0000007951 0.51408
247 2IF8 ADP 0.0007314 0.5125
248 3FI3 JK2 0.0001335 0.51099
249 4LOO SB4 0.0001739 0.51055
250 4CYI ATP 0.0001414 0.50982
251 1JPA ANP 0.0005753 0.5085
252 1IA9 ANP 0.0001521 0.50833
253 2P2I 608 0.00006086 0.50782
254 4IWD 1JC 0.000007751 0.50771
255 2QU6 857 0.00004879 0.50762
256 4KBA 1QM 0.0002093 0.50667
257 4KBA 1QM 0.0002093 0.50667
258 2XB7 GUI 0.000002095 0.50665
259 4CYI ATP 0.0001682 0.50626
260 4CYI ATP 0.0001382 0.50547
261 4LH7 1X8 0.001201 0.50513
262 3I0O ADP 0.0006048 0.50486
263 3I0O ADP 0.0006048 0.50486
264 2P2I 608 0.00007323 0.5043
265 3HAV ATP 0.00006043 0.50362
266 3SG8 TOY 0.00002528 0.50303
267 3HAV ATP 0.00004998 0.50293
268 4DFU QUE 0.001123 0.50225
269 3W0O ADP 0.0000366 0.50045
270 1AUX AGS 0.0003134 0.49824
271 4I6H 1C8 0.000317 0.498
272 2CFM AMP 0.0008229 0.49784
273 3TY5 ATP 0.0008639 0.49673
274 4ASE AV9 0.00005634 0.49669
275 3E8N ATP 0.000002265 0.49548
276 3E8N VRA 0.000002265 0.49548
277 3E8N ATP 0.000002265 0.49548
278 3E8N VRA 0.000002265 0.49548
279 4PMM 31V 0.0002018 0.49339
280 3W0O HY0 0.0000487 0.49156
281 3DNT ATP 0.0001513 0.4905
282 3VRY B43 0.000123 0.49033
283 4PU5 ANP 0.0001902 0.49026
284 4PMP 31W 0.0004261 0.48722
285 3VOT ADP 0.001332 0.48686
286 3VOT ADP 0.001363 0.48635
287 3SXF BK5 0.00002866 0.48621
288 2QLU ADE 0.001209 0.48507
289 4UWH JXM 0.0009282 0.48477
290 4AT5 MUJ 0.0003212 0.48422
291 2XMY CDK 0.0000005126 0.48388
292 3C1X CKK 0.0003466 0.48272
293 4DFU QUE 0.002056 0.4822
294 4BKJ STI 0.000366 0.48165
295 4ANW O92 0.00005803 0.48134
296 3ZJX BOG 0.003216 0.48044
297 3VRY B43 0.0001488 0.47914
298 3WVR AMP 0.001311 0.47724
299 3WVR AMP 0.001311 0.47724
300 4AZT LY2 0.002076 0.47675
301 1GSA ADP 0.0003882 0.47644
302 1GSA ADP 0.0003882 0.47644
303 3TY5 ADP 0.00138 0.47613
304 3VPB ADP 0.0002811 0.47488
305 4BKJ STI 0.0003533 0.47436
306 4P5Z Q7M 0.00004005 0.47419
307 3ZOS 0LI 0.0001978 0.47399
308 4NM5 ADP 0.0000000245 0.4728
309 4NM5 ADP 0.0000000245 0.4728
310 4CC5 L5V 0.003537 0.46953
311 3WVR AMP 0.001915 0.46899
312 1TZD ADP 0.003203 0.46788
313 3WVR AMP 0.002054 0.46746
314 3WVR AMP 0.002054 0.46746
315 2OO8 RAJ 0.0007788 0.46675
316 1W2D ADP 0.003319 0.46605
317 1EHI ADP 0.001201 0.46598
318 1W2D ADP 0.003392 0.46556
319 3ZJX BOG 0.005944 0.46495
320 1I7L ATP 0.000587 0.4647
321 1I7L ATP 0.000587 0.4647
322 3ZJX BOG 0.006059 0.46447
323 3ZJX BOG 0.006147 0.4641
324 4F65 0S9 0.00004349 0.4638
325 3VPC ADP 0.0009507 0.46282
326 4WHZ 3NL 0.00004735 0.4625
327 4NWM 2P5 0.00001394 0.46248
328 3KMW ATP 0.002203 0.46159
329 4CKR DI1 0.0004745 0.46157
330 1OBD ATP 0.003313 0.46143
331 1HFU NAG NDG 0.01532 0.46112
332 3RGF BAX 0.000719 0.46084
333 3SJK LYS PRO VAL LEU ARG THR ALA 0.007516 0.45996
334 4U0I 0LI 0.0002735 0.45817
335 3ORQ ADP 0.001463 0.45803
336 3TM0 ANP 0.0002357 0.45758
337 1PK8 ATP 0.0007155 0.45741
338 1CKN GTP 0.005981 0.45726
339 1CKN GTP 0.005981 0.45726
340 1CKN GTP 0.005981 0.45726
341 4EYM 0RX 0.001608 0.45614
342 4AT4 T6E 0.001615 0.45605
343 1PK8 ATP 0.0008227 0.4548
344 3PFF ADP 0.003092 0.45435
345 3PFF ADP 0.003092 0.45435
346 3V8T 477 0.00005162 0.45289
347 3V8T 477 0.00005162 0.45289
348 4GLW 0XT 0.007496 0.45198
349 2HGS ADP 0.001389 0.45176
350 3TM0 B31 0.0002901 0.45106
351 4O2B ACP 0.002538 0.45064
352 4AXD ANP 0.0001511 0.45018
353 3VPD ANP 0.001881 0.44935
354 2IO8 ADP 0.001377 0.44847
355 2C5U APC 0.002943 0.44761
356 2AQX ATP 0.002063 0.44753
357 1FWV SGA MAG FUC 0.007374 0.44748
358 4OCJ NDG 0.0001797 0.44745
359 2VQD AP2 0.002538 0.44696
360 2C5U APC 0.002592 0.44653
361 3ETH ATP 0.002189 0.44635
362 2VPQ ANP 0.001855 0.44615
363 2Q7D ANP 0.001623 0.44535
364 3NW7 LGV 0.00008892 0.44491
365 3LQ8 88Z 0.00003748 0.44477
366 3TII ANP 0.008433 0.44477
367 3KF4 B90 0.00008341 0.44331
368 4IA6 EIC 0.01772 0.44306
369 4I5C C5I 0.00000006466 0.44303
370 3BZ3 YAM 0.000008949 0.44247
371 3O0G 3O0 0.000000007048 0.44167
372 2OFV 242 0.00001288 0.44108
373 1E4E ADP 0.004064 0.44098
374 2YW2 ATP 0.003424 0.44093
375 2Q7D ANP 0.001586 0.43939
376 2Q7D ANP 0.001586 0.43939
377 4UXQ 0LI 0.00099 0.43887
378 1D2S DHT 0.006464 0.43858
379 3ZGJ RMN 0.01337 0.43842
380 1PME SB2 0.00002975 0.43763
381 4ME6 ADP 0.01736 0.43744
382 4I5C C5I 0.0000001054 0.43743
383 2B9H ADP 0.000000158 0.43704
384 4B1L FRU 0.02107 0.4369
385 4BTK DTQ 0.00000007673 0.43646
386 2RFN AM7 0.003066 0.4364
387 3EFK MT4 0.002629 0.43616
388 3EFK MT4 0.002629 0.43616
389 2YW2 ATP 0.004442 0.43569
390 3ZGJ RMN 0.01852 0.43507
391 3EFK MT4 0.003323 0.43484
392 4BMB LAT 0.03205 0.43432
393 3V4S ATP 0.004094 0.43399
394 3BP1 GUN 0.02692 0.43303
395 3BP1 GUN 0.02692 0.43303
396 3FEA ACE PHE MET AIB PM3 6CW GLU 1AC LEU NH2 0.0144 0.43252
397 3TZM 085 0.0000003693 0.43195
398 3K5I ADP 0.005473 0.43148
399 2RFN AM7 0.004746 0.43107
400 3HQ9 OXL 0.01799 0.43102
401 2GQS ADP 0.009331 0.43073
402 3KAL ADP 0.001039 0.42977
403 2GQR ADP 0.009934 0.42938
404 4BBF O19 0.0000001891 0.42897
405 4IX4 ADP 0.0000004972 0.42844
406 4J7N GTG 0.01071 0.42777
407 2XG5 EC2 0.03578 0.42737
408 2XG5 EC5 0.03578 0.42737
409 3E7O 35F 0.00001168 0.42718
410 1W2D 4IP 0.003172 0.42663
411 4GKY MAN 0.04107 0.42563
412 4FE2 ADP 0.01646 0.42559
413 3KF4 B90 0.0005313 0.42554
414 4FF8 14S 0.02405 0.42461
415 4LKK SIA GAL 0.02912 0.42413
416 4BCM T7Z 0.00000009285 0.42333
417 3R4S SLB 0.02333 0.4229
418 2Z9I GLY ALA THR VAL 0.03663 0.42265
419 4FVQ ATP 0.0000007182 0.42239
420 3G2Y GF4 0.02882 0.42144
421 3CV2 OXL 0.03177 0.42038
422 3SLS 77D 0.01322 0.4199
423 3E7O 35F 0.0000255 0.4199
424 1LNX URI 0.03959 0.4195
425 4BBF O19 0.0000001571 0.41921
426 4NS0 PIO 0.02644 0.41889
427 4BBF O19 0.0000002481 0.41873
428 4MOB ADP 0.03862 0.41854
429 1TZD ADP 0.02136 0.41836
430 1A5V Y3 0.03549 0.41819
431 1A5V Y3 0.03549 0.41819
432 2ET1 GLV 0.03975 0.41778
433 1ZX5 LFR 0.03211 0.41735
434 1WUW SER 0.003313 0.41722
435 1W2D 4IP 0.003979 0.41707
436 4JPS 1LT 0.01772 0.41695
437 1GWC GTX 0.02868 0.41666
438 3SLS 77D 0.02108 0.41653
439 4DEC 3PG 0.04561 0.41583
440 4IAW LIZ 0.03567 0.41528
441 3CTL S6P 0.01441 0.41494
442 3R4S SLB 0.04721 0.41491
443 4OAS 2SW 0.0229 0.41471
444 3K5I ADP 0.01256 0.41471
445 1K4M CIT 0.04903 0.41453
446 1GUX ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.01999 0.41436
447 1U6R IOM 0.02664 0.41422
448 3CTL S6P 0.01494 0.4142
449 4H1M 0YJ 0.000138 0.41332
450 2X3J ATP 0.01369 0.41298
451 1MQB ANP 0.000001785 0.41258
452 1UNH IXM 0.0000001682 0.41214
453 3NOJ PYR 0.02301 0.41188
454 3NOJ PYR 0.02301 0.41188
455 3AHW 2AM 0.02612 0.4118
456 4BH1 SIA GAL NAG 0.02628 0.41167
457 4MXO DB8 0.00006058 0.41107
458 1YRX FMN 0.02709 0.41101
459 4DEN 2M4 0.04622 0.4109
460 3LQV ADE 0.02613 0.41072
461 4CMT GWH 0.000002974 0.41062
462 4NST ADP 0.0000008629 0.4097
463 4CCB OFG 0.000001209 0.40958
464 4K37 SAM 0.02528 0.40929
465 3LQV ADE 0.03905 0.40909
466 2DQA NAG NAG NAG 0.03986 0.40903
467 1YP6 PRZ 0.02258 0.40861
468 4K37 SAM 0.02641 0.40835
469 4MXO DB8 0.0002186 0.40812
470 4NST ADP 0.0000009718 0.40769
471 4IAW LIZ 0.04466 0.40638
472 1GT4 UNA 0.02942 0.40602
473 1GWC GTX 0.03922 0.40601
474 4BBF O19 0.0000004632 0.40582
475 3SAO NKN 0.04576 0.40582
476 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.04053 0.40526
477 3U6H 03X 0.003018 0.40519
478 4CG8 G8S 0.002441 0.40428
479 4K38 SAM 0.02491 0.40362
480 4E5W 0NT 0.000003229 0.40284
481 4CG8 G8V 0.002727 0.40256
482 2VOH CIT 0.02297 0.40229
483 3A6T 8OG 0.03495 0.40228
484 3QBC B55 0.04574 0.40218
485 1F9A ATP 0.02338 0.40212
486 2YKL NLD 0.047 0.40189
487 4P5E N6P 0.03137 0.40165
488 4D9C PMP 0.01302 0.40059
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