Receptor
PDB id Resolution Class Description Source Keywords
5DWR 2 Å EC: 2.7.11.1 IDENTIFICATION OF N-(4-((1R,3S,5S)-3-AMINO-5-METHYLCYCLOHEXY 3-YL)-6-(2,6-DIFLUOROPHENYL)-5-FLUOROPICOLINAMIDE (PIM447),A ND SELECTIVE PROVIRAL INSERTION SITE OF MOLONEY MURINE LEU(P IM) 1,2 AND 3 KINASE INHIBITOR IN CLINICAL TRIALS FOR HEMMAL IGNANC HOMO SAPIENS PIM1 MOLONEY MURINE LEUKEMIA PIM447 KINASE INHIBITOR TRATRANSFERASE INHIBITOR COMPLEX
Ref.: IDENTIFICATION OF N-(4-((1R,3S,5S)-3-AMINO-5-METHYLCYCLOHEXYL)PYRIDIN -6-(2,6-DIFLUOROPHENYL)-5-FLUOROPICOLINAMIDE (PIM44 POTENT AND SELECTIVE PROVIRAL INSERTION SITE OF MOL MURINE LEUKEMIA (PIM) 1, 2, AND 3 KINASE INHIBITOR CLINICAL TRIALS FOR HEMAT
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5H7 A:401;
 Valid;
 none;
 Ki < 0.001 uM
440.461 C24 H23 F3 N4 O C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4N70 2.1 Å EC: 2.7.11.1 PIM1 COMPLEXED WITH A PYRIDYLCARBOXAMIDE HOMO SAPIENS KINASE PHOSPHORYLATION TRANSFERASE-TRANSFERASE INHIBITOR C
Ref.: STRUCTURE GUIDED OPTIMIZATION, IN VITRO ACTIVITY, A VIVO ACTIVITY OF PAN-PIM KINASE INHIBITORS. ACS MED CHEM LETT V. 4 1193 2013
Members (68)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 1XR1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 4MBI - 26K C13 H17 N7 CN(C)CCNc1....
3 4MTA - 2D2 C12 H10 O3 Cc1c(cc(o1....
4 3VBT ic50 = 37 uM 0F9 C9 H7 Cl N2 O c1cc(c(cc1....
5 1YXX - LI7 C14 H10 N2 O2 c1ccc2c(c1....
6 5IIS Ki < 0.001 uM 6CB C23 H19 F N6 O Cc1cc(cc(n....
7 4K1B Ki = 0.003 nM 1OC C26 H24 F2 N8 O c1ccc(c(c1....
8 4XH6 ic50 = 2.71 uM HUL C16 H12 O6 COc1c(cc2c....
9 1YXU - AMP C10 H14 N5 O7 P c1nc(c2c(n....
10 1XWS - BI1 C25 H24 N4 O2 CN(C)CCCn1....
11 3R04 ic50 = 0.12 uM UNQ C19 H20 N4 O3 c1cc2c(cc1....
12 5IPJ ic50 = 0.3 nM 6CD C20 H23 N5 O2 C[C@@H]1c2....
13 2C3I Kd = 25 nM IYZ C18 H18 N4 O CC(=O)c1cc....
14 3VBW ic50 = 6 uM 0FN C10 H5 N O2 c1ccc2c(c1....
15 3F2A ic50 = 57 nM 985 C19 H22 N4 O2 C[N@]1CCCN....
16 4WT6 ic50 = 0.012 uM 3U6 C20 H20 N6 S c1cc(nc(c1....
17 4N70 Ki = 0.001 nM 2HX C23 H22 F3 N5 O2 C[C@H]1CN(....
18 4WRS ic50 = 0.4 nM 3U1 C24 H21 F2 N5 O c1cc(c(c(c....
19 2XIX - XIX C2 H5 N5 c1([nH]nc(....
20 2J2I ic50 = 0.2 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
21 3VBQ ic50 = 470 pM 0F5 C20 H23 N5 O2 S c1cc(cc(c1....
22 2OBJ ic50 = 0.05 uM VRV C18 H11 Br N2 O2 c1ccc(cc1)....
23 2O3P ic50 = 1.1 uM QUE C15 H10 O7 c1cc(c(cc1....
24 3VBY ic50 = 28 uM 0FR C13 H9 N O2 c1ccc2c(c1....
25 2XIY - XIY C8 H8 N2 O c1ccc2c(c1....
26 4A7C ic50 = 0.006 uM E46 C18 H19 F3 N6 O c1cc(cc(c1....
27 3BGQ Ki = 11 nM VX2 C18 H18 F3 N5 c1cc(cc(c1....
28 3R02 ic50 = 0.001 uM UNM C15 H17 Br N2 O3 c1c2cc(oc2....
29 4K18 Ki = 1.1 nM 1OB C21 H14 F N5 O2 c1cc(ccc1C....
30 5DIA - 5E6 C22 H23 N7 c1cc(nc(c1....
31 5KZI ic50 = 0.07 nM 6YN C22 H21 F2 N7 c1cc(c(c(c....
32 2BIK - BI1 C25 H24 N4 O2 CN(C)CCCn1....
33 4BZN ic50 = 1.441 uM UGX C18 H23 N3 O2 S CC(C)(C)CN....
34 3VBV ic50 = 10 uM 0FK C10 H8 N2 O2 c1cc2ccc(n....
35 3UIX ic50 = 0.151 uM Q17 C17 H18 N4 O c1ccc2c(c1....
36 1YXV - LI6 C10 H9 N O3 CN1c2ccccc....
37 3UMW ic50 = 3 nM 596 C22 H22 N4 O3 COc1ccc2c(....
38 1YHS ic50 = 0.01 uM STU C28 H26 N4 O3 C[C@@]12[C....
39 2XJ1 Kd = 28 nM XJ1 C19 H22 N4 O2 c1cc(cc(c1....
40 2O64 Kd = 0.34 uM MYU C15 H10 O8 c1cc(c(cc1....
41 4ALW ic50 = 27 nM HY7 C16 H17 Br N4 O2 CN1CCN(CC1....
42 3BGZ Ki = 0.55 uM VX3 C21 H15 N O2 c1ccc(cc1)....
43 2O63 Kd = 0.78 uM MYC C15 H10 O8 c1c(cc(c(c....
44 5V82 Ki = 0.07 nM 96Y C21 H19 F2 N7 Cc1cncc(n1....
45 3VC4 ic50 = 24 nM 0FS C11 H6 F3 N O2 S c1cc(cc(c1....
46 5DHJ Ki = 0.2 uM 5E5 C12 H10 N4 Cc1c2cc(nc....
47 2XIZ - XIZ C8 H7 N O2 c1cnccc1C=....
48 1YI3 ic50 = 4 uM LY2 C19 H17 N O3 c1ccc(cc1)....
49 2XJ2 Kd = 66 nM 985 C19 H22 N4 O2 C[N@]1CCCN....
50 1YI4 - ADN C10 H13 N5 O4 c1nc(c2c(n....
51 3R00 ic50 = 8.5 uM UNJ C9 H5 Br O3 c1cc2c(cc1....
52 3A99 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
53 3C4E ic50 ~ 100 uM C4E C13 H11 N3 c1ccc(cc1)....
54 3MA3 ic50 = 60 nM 01I C16 H8 O6 c1cc2c(cc(....
55 3VBX ic50 = 17 uM 0FO C9 H5 Br O3 c1cc2c(cc1....
56 5DGZ Ki = 14 nM L20 C24 H23 N5 O Cc1c2cc(cc....
57 2OI4 ic50 = 2.5 nM JM1 C23 H12 F N3 O3 Ru c1ccc2c(c1....
58 5EOL ic50 = 0.3 nM 5QO C21 H21 N5 O Cc1c2nc3c(....
59 3WE8 - RUI C18 H7 N2 O2 Ru c1cc2c3c4c....
60 3BWF ic50 = 0.6 nM DWC C23 H9 N3 O4 Os c1cc2c3c(c....
61 4WSY ic50 = 0.017 uM 3U5 C19 H13 N5 S c1ccc2c(c1....
62 4BZO ic50 = 0.013 uM 676 C22 H22 F N5 O2 c1ccc(cc1)....
63 5DWR Ki < 0.001 uM 5H7 C24 H23 F3 N4 O C[C@H]1C[C....
64 4XHK ic50 = 5 nM 3YR C19 H16 F2 N4 O2 S c1cc(c(c(c....
65 4K0Y Ki = 15 nM 1OA C18 H18 F N5 O2 c1cc(ccc1N....
66 4DTK ic50 < 0.004 uM 7LI C18 H23 N3 O3 S CC(C)Oc1cc....
67 4N6Z Ki = 16 nM 2HW C15 H19 N7 O c1cncc(c1N....
68 4AS0 - RPS C20 H19 N2 O3 Ru S3 c1c2c(cc3c....
70% Homology Family (68)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 1XR1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 4MBI - 26K C13 H17 N7 CN(C)CCNc1....
3 4MTA - 2D2 C12 H10 O3 Cc1c(cc(o1....
4 3VBT ic50 = 37 uM 0F9 C9 H7 Cl N2 O c1cc(c(cc1....
5 1YXX - LI7 C14 H10 N2 O2 c1ccc2c(c1....
6 5IIS Ki < 0.001 uM 6CB C23 H19 F N6 O Cc1cc(cc(n....
7 4K1B Ki = 0.003 nM 1OC C26 H24 F2 N8 O c1ccc(c(c1....
8 4XH6 ic50 = 2.71 uM HUL C16 H12 O6 COc1c(cc2c....
9 1YXU - AMP C10 H14 N5 O7 P c1nc(c2c(n....
10 1XWS - BI1 C25 H24 N4 O2 CN(C)CCCn1....
11 3R04 ic50 = 0.12 uM UNQ C19 H20 N4 O3 c1cc2c(cc1....
12 5IPJ ic50 = 0.3 nM 6CD C20 H23 N5 O2 C[C@@H]1c2....
13 2C3I Kd = 25 nM IYZ C18 H18 N4 O CC(=O)c1cc....
14 3VBW ic50 = 6 uM 0FN C10 H5 N O2 c1ccc2c(c1....
15 3F2A ic50 = 57 nM 985 C19 H22 N4 O2 C[N@]1CCCN....
16 4WT6 ic50 = 0.012 uM 3U6 C20 H20 N6 S c1cc(nc(c1....
17 4N70 Ki = 0.001 nM 2HX C23 H22 F3 N5 O2 C[C@H]1CN(....
18 4WRS ic50 = 0.4 nM 3U1 C24 H21 F2 N5 O c1cc(c(c(c....
19 2XIX - XIX C2 H5 N5 c1([nH]nc(....
20 2J2I ic50 = 0.2 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
21 3VBQ ic50 = 470 pM 0F5 C20 H23 N5 O2 S c1cc(cc(c1....
22 2OBJ ic50 = 0.05 uM VRV C18 H11 Br N2 O2 c1ccc(cc1)....
23 2O3P ic50 = 1.1 uM QUE C15 H10 O7 c1cc(c(cc1....
24 3VBY ic50 = 28 uM 0FR C13 H9 N O2 c1ccc2c(c1....
25 2XIY - XIY C8 H8 N2 O c1ccc2c(c1....
26 4A7C ic50 = 0.006 uM E46 C18 H19 F3 N6 O c1cc(cc(c1....
27 3BGQ Ki = 11 nM VX2 C18 H18 F3 N5 c1cc(cc(c1....
28 3R02 ic50 = 0.001 uM UNM C15 H17 Br N2 O3 c1c2cc(oc2....
29 4K18 Ki = 1.1 nM 1OB C21 H14 F N5 O2 c1cc(ccc1C....
30 5DIA - 5E6 C22 H23 N7 c1cc(nc(c1....
31 5KZI ic50 = 0.07 nM 6YN C22 H21 F2 N7 c1cc(c(c(c....
32 2BIK - BI1 C25 H24 N4 O2 CN(C)CCCn1....
33 4BZN ic50 = 1.441 uM UGX C18 H23 N3 O2 S CC(C)(C)CN....
34 3VBV ic50 = 10 uM 0FK C10 H8 N2 O2 c1cc2ccc(n....
35 3UIX ic50 = 0.151 uM Q17 C17 H18 N4 O c1ccc2c(c1....
36 1YXV - LI6 C10 H9 N O3 CN1c2ccccc....
37 3UMW ic50 = 3 nM 596 C22 H22 N4 O3 COc1ccc2c(....
38 1YHS ic50 = 0.01 uM STU C28 H26 N4 O3 C[C@@]12[C....
39 2XJ1 Kd = 28 nM XJ1 C19 H22 N4 O2 c1cc(cc(c1....
40 2O64 Kd = 0.34 uM MYU C15 H10 O8 c1cc(c(cc1....
41 4ALW ic50 = 27 nM HY7 C16 H17 Br N4 O2 CN1CCN(CC1....
42 3BGZ Ki = 0.55 uM VX3 C21 H15 N O2 c1ccc(cc1)....
43 2O63 Kd = 0.78 uM MYC C15 H10 O8 c1c(cc(c(c....
44 5V82 Ki = 0.07 nM 96Y C21 H19 F2 N7 Cc1cncc(n1....
45 3VC4 ic50 = 24 nM 0FS C11 H6 F3 N O2 S c1cc(cc(c1....
46 5DHJ Ki = 0.2 uM 5E5 C12 H10 N4 Cc1c2cc(nc....
47 2XIZ - XIZ C8 H7 N O2 c1cnccc1C=....
48 1YI3 ic50 = 4 uM LY2 C19 H17 N O3 c1ccc(cc1)....
49 2XJ2 Kd = 66 nM 985 C19 H22 N4 O2 C[N@]1CCCN....
50 1YI4 - ADN C10 H13 N5 O4 c1nc(c2c(n....
51 3R00 ic50 = 8.5 uM UNJ C9 H5 Br O3 c1cc2c(cc1....
52 3A99 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
53 3C4E ic50 ~ 100 uM C4E C13 H11 N3 c1ccc(cc1)....
54 3MA3 ic50 = 60 nM 01I C16 H8 O6 c1cc2c(cc(....
55 3VBX ic50 = 17 uM 0FO C9 H5 Br O3 c1cc2c(cc1....
56 5DGZ Ki = 14 nM L20 C24 H23 N5 O Cc1c2cc(cc....
57 2OI4 ic50 = 2.5 nM JM1 C23 H12 F N3 O3 Ru c1ccc2c(c1....
58 5EOL ic50 = 0.3 nM 5QO C21 H21 N5 O Cc1c2nc3c(....
59 3WE8 - RUI C18 H7 N2 O2 Ru c1cc2c3c4c....
60 3BWF ic50 = 0.6 nM DWC C23 H9 N3 O4 Os c1cc2c3c(c....
61 4WSY ic50 = 0.017 uM 3U5 C19 H13 N5 S c1ccc2c(c1....
62 4BZO ic50 = 0.013 uM 676 C22 H22 F N5 O2 c1ccc(cc1)....
63 5DWR Ki < 0.001 uM 5H7 C24 H23 F3 N4 O C[C@H]1C[C....
64 4XHK ic50 = 5 nM 3YR C19 H16 F2 N4 O2 S c1cc(c(c(c....
65 4K0Y Ki = 15 nM 1OA C18 H18 F N5 O2 c1cc(ccc1N....
66 4DTK ic50 < 0.004 uM 7LI C18 H23 N3 O3 S CC(C)Oc1cc....
67 4N6Z Ki = 16 nM 2HW C15 H19 N7 O c1cncc(c1N....
68 4AS0 - RPS C20 H19 N2 O3 Ru S3 c1c2c(cc3c....
50% Homology Family (69)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 1XR1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 4MBI - 26K C13 H17 N7 CN(C)CCNc1....
3 4MTA - 2D2 C12 H10 O3 Cc1c(cc(o1....
4 3VBT ic50 = 37 uM 0F9 C9 H7 Cl N2 O c1cc(c(cc1....
5 1YXX - LI7 C14 H10 N2 O2 c1ccc2c(c1....
6 5IIS Ki < 0.001 uM 6CB C23 H19 F N6 O Cc1cc(cc(n....
7 4K1B Ki = 0.003 nM 1OC C26 H24 F2 N8 O c1ccc(c(c1....
8 4XH6 ic50 = 2.71 uM HUL C16 H12 O6 COc1c(cc2c....
9 1YXU - AMP C10 H14 N5 O7 P c1nc(c2c(n....
10 1XWS - BI1 C25 H24 N4 O2 CN(C)CCCn1....
11 3R04 ic50 = 0.12 uM UNQ C19 H20 N4 O3 c1cc2c(cc1....
12 5IPJ ic50 = 0.3 nM 6CD C20 H23 N5 O2 C[C@@H]1c2....
13 2C3I Kd = 25 nM IYZ C18 H18 N4 O CC(=O)c1cc....
14 3VBW ic50 = 6 uM 0FN C10 H5 N O2 c1ccc2c(c1....
15 3F2A ic50 = 57 nM 985 C19 H22 N4 O2 C[N@]1CCCN....
16 4WT6 ic50 = 0.012 uM 3U6 C20 H20 N6 S c1cc(nc(c1....
17 4N70 Ki = 0.001 nM 2HX C23 H22 F3 N5 O2 C[C@H]1CN(....
18 4WRS ic50 = 0.4 nM 3U1 C24 H21 F2 N5 O c1cc(c(c(c....
19 2XIX - XIX C2 H5 N5 c1([nH]nc(....
20 2J2I ic50 = 0.2 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
21 3VBQ ic50 = 470 pM 0F5 C20 H23 N5 O2 S c1cc(cc(c1....
22 2OBJ ic50 = 0.05 uM VRV C18 H11 Br N2 O2 c1ccc(cc1)....
23 2O3P ic50 = 1.1 uM QUE C15 H10 O7 c1cc(c(cc1....
24 3VBY ic50 = 28 uM 0FR C13 H9 N O2 c1ccc2c(c1....
25 2XIY - XIY C8 H8 N2 O c1ccc2c(c1....
26 4A7C ic50 = 0.006 uM E46 C18 H19 F3 N6 O c1cc(cc(c1....
27 3BGQ Ki = 11 nM VX2 C18 H18 F3 N5 c1cc(cc(c1....
28 3R02 ic50 = 0.001 uM UNM C15 H17 Br N2 O3 c1c2cc(oc2....
29 4K18 Ki = 1.1 nM 1OB C21 H14 F N5 O2 c1cc(ccc1C....
30 5DIA - 5E6 C22 H23 N7 c1cc(nc(c1....
31 5KZI ic50 = 0.07 nM 6YN C22 H21 F2 N7 c1cc(c(c(c....
32 2BIK - BI1 C25 H24 N4 O2 CN(C)CCCn1....
33 4BZN ic50 = 1.441 uM UGX C18 H23 N3 O2 S CC(C)(C)CN....
34 3VBV ic50 = 10 uM 0FK C10 H8 N2 O2 c1cc2ccc(n....
35 3UIX ic50 = 0.151 uM Q17 C17 H18 N4 O c1ccc2c(c1....
36 1YXV - LI6 C10 H9 N O3 CN1c2ccccc....
37 3UMW ic50 = 3 nM 596 C22 H22 N4 O3 COc1ccc2c(....
38 1YHS ic50 = 0.01 uM STU C28 H26 N4 O3 C[C@@]12[C....
39 2XJ1 Kd = 28 nM XJ1 C19 H22 N4 O2 c1cc(cc(c1....
40 2O64 Kd = 0.34 uM MYU C15 H10 O8 c1cc(c(cc1....
41 4ALW ic50 = 27 nM HY7 C16 H17 Br N4 O2 CN1CCN(CC1....
42 3BGZ Ki = 0.55 uM VX3 C21 H15 N O2 c1ccc(cc1)....
43 2O63 Kd = 0.78 uM MYC C15 H10 O8 c1c(cc(c(c....
44 5V82 Ki = 0.07 nM 96Y C21 H19 F2 N7 Cc1cncc(n1....
45 3VC4 ic50 = 24 nM 0FS C11 H6 F3 N O2 S c1cc(cc(c1....
46 5DHJ Ki = 0.2 uM 5E5 C12 H10 N4 Cc1c2cc(nc....
47 2XIZ - XIZ C8 H7 N O2 c1cnccc1C=....
48 1YI3 ic50 = 4 uM LY2 C19 H17 N O3 c1ccc(cc1)....
49 2XJ2 Kd = 66 nM 985 C19 H22 N4 O2 C[N@]1CCCN....
50 1YI4 - ADN C10 H13 N5 O4 c1nc(c2c(n....
51 3R00 ic50 = 8.5 uM UNJ C9 H5 Br O3 c1cc2c(cc1....
52 3A99 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
53 3C4E ic50 ~ 100 uM C4E C13 H11 N3 c1ccc(cc1)....
54 3MA3 ic50 = 60 nM 01I C16 H8 O6 c1cc2c(cc(....
55 3VBX ic50 = 17 uM 0FO C9 H5 Br O3 c1cc2c(cc1....
56 5DGZ Ki = 14 nM L20 C24 H23 N5 O Cc1c2cc(cc....
57 2OI4 ic50 = 2.5 nM JM1 C23 H12 F N3 O3 Ru c1ccc2c(c1....
58 5EOL ic50 = 0.3 nM 5QO C21 H21 N5 O Cc1c2nc3c(....
59 3WE8 - RUI C18 H7 N2 O2 Ru c1cc2c3c4c....
60 3BWF ic50 = 0.6 nM DWC C23 H9 N3 O4 Os c1cc2c3c(c....
61 4WSY ic50 = 0.017 uM 3U5 C19 H13 N5 S c1ccc2c(c1....
62 4BZO ic50 = 0.013 uM 676 C22 H22 F N5 O2 c1ccc(cc1)....
63 5DWR Ki < 0.001 uM 5H7 C24 H23 F3 N4 O C[C@H]1C[C....
64 4XHK ic50 = 5 nM 3YR C19 H16 F2 N4 O2 S c1cc(c(c(c....
65 4K0Y Ki = 15 nM 1OA C18 H18 F N5 O2 c1cc(ccc1N....
66 4DTK ic50 < 0.004 uM 7LI C18 H23 N3 O3 S CC(C)Oc1cc....
67 4N6Z Ki = 16 nM 2HW C15 H19 N7 O c1cncc(c1N....
68 4AS0 - RPS C20 H19 N2 O3 Ru S3 c1c2c(cc3c....
69 4X7Q ic50 = 14 nM 3YR C19 H16 F2 N4 O2 S c1cc(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5H7; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 5H7 1 1
2 2HX 0.504951 0.716667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4N70; Ligand: 2HX; Similar sites found: 312
This union binding pocket(no: 1) in the query (biounit: 4n70.bio1) has 46 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5TPU TYD 0.02702 0.43064 None
2 1D8C GLV 0.04231 0.41328 1.52439
3 2DQA NAG NAG NAG 0.03851 0.41142 1.6129
4 2IF8 ADP 0.00028 0.53759 1.82927
5 3K5I ADP 0.004437 0.43755 1.82927
6 4RDL FUC GAL NDG FUC 0.004577 0.4745 1.94805
7 3LHS SF8 0.02879 0.42603 2.02703
8 2AQX ATP 0.00177 0.45249 2.07612
9 3X01 AMP 0.0007082 0.51841 2.13415
10 3ORQ ADP 0.001232 0.46348 2.13415
11 5JDA AMP 0.04847 0.40233 2.13415
12 4FE2 AIR 0.01161 0.43918 2.35294
13 4FE2 ADP 0.01503 0.42933 2.35294
14 1PK8 ATP 0.0008149 0.457 2.36967
15 4ZGP ADP 0.00215 0.46403 2.38908
16 4B1L FRU 0.03925 0.40487 2.42424
17 2YW2 ATP 0.003081 0.44493 2.43902
18 2ZWS PLM 0.04305 0.43659 2.43902
19 4C2C ALA ALA ALA 0.03642 0.42253 2.43902
20 3SJK LYS PRO VAL LEU ARG THR ALA 0.007859 0.45986 2.63158
21 3TM0 ANP 0.0001498 0.46747 2.6616
22 3TM0 B31 0.0001882 0.46047 2.6616
23 2PUL ACP 0.00001707 0.56772 2.7439
24 5DZT AMP 0.0004718 0.527 2.7439
25 1EHI ADP 0.001618 0.46182 2.7439
26 1I7L ATP 0.0007886 0.46111 2.7439
27 2IO8 ADP 0.001317 0.4513 2.7439
28 4ZWP M44 0.04627 0.41442 2.7439
29 3R4S SLB 0.04514 0.40685 2.7439
30 3QRC SCR 0.01386 0.4424 3.18471
31 4IAW LIZ 0.04952 0.40903 3.19149
32 1A8U BEZ 0.03844 0.41659 3.2491
33 1K4M CIT 0.04161 0.42094 3.28639
34 5I35 ANP 0.00000169 0.6173 3.35366
35 3VOT ADP 0.0009455 0.49668 3.35366
36 1HFU NAG NDG 0.01153 0.4691 3.35366
37 3TII ANP 0.003695 0.46546 3.35366
38 2Z9I GLY ALA THR VAL 0.02897 0.43153 3.39506
39 1ZP9 ATP 0.000003621 0.60822 3.48837
40 2VQD AP2 0.0007065 0.47471 3.65854
41 3KAL ADP 0.001504 0.42555 3.65854
42 4OCJ NDG 0.00006939 0.41902 3.65854
43 5JM8 ATP 0.009612 0.41885 3.65854
44 4EIL CB3 0.0459 0.40732 3.65854
45 4OCV ANP 0.00002807 0.54534 3.96341
46 3V4S ATP 0.002786 0.44348 3.96341
47 3HQP OXL 0.02253 0.41032 3.96341
48 4K37 SAM 0.02648 0.40993 3.96341
49 4K38 SAM 0.02572 0.40459 3.96341
50 4OAS 2SW 0.02692 0.41278 4.16667
51 2GQS ADP 0.007503 0.43717 4.21941
52 5C1P ADP 0.004606 0.45591 4.24837
53 3VPC ADP 0.0003792 0.48306 4.25532
54 4UYW H1S 0.0015 0.54939 4.26829
55 5NCY 8TK 0.0001089 0.47973 4.26829
56 3E7S AT2 0.03894 0.41913 4.26829
57 4XMF HSM 0.0004735 0.53025 4.34783
58 3ZJX BOG 0.004259 0.47509 4.49827
59 4XBT 3ZQ 0.01206 0.42355 4.51613
60 4XBT FLC 0.01307 0.42186 4.51613
61 4GYI ADP 0.00001017 0.59279 4.57317
62 2X3J ATP 0.01745 0.40974 4.57317
63 3A6T 8OG 0.01795 0.41836 4.65116
64 3HAV ATP 0.0002134 0.54628 4.68227
65 3DNT ATP 0.0003717 0.47551 4.77273
66 4PU5 ANP 0.0003856 0.47868 4.87805
67 4ZS4 ATP 0.00003222 0.5425 4.88599
68 1IA9 ANP 0.000157 0.50988 5
69 4CC6 L5Y 0.001891 0.48608 5.03145
70 2YRX AMP 0.02653 0.42754 5.09978
71 4R78 AMP 0.000002376 0.64256 5.17799
72 2PYW ADP 0.000004046 0.57904 5.18293
73 2Q7D ANP 0.00266 0.43177 5.18293
74 3CV2 OXL 0.02384 0.42904 5.18293
75 4YRD 3IT 0.0277 0.4265 5.18293
76 1FWV SGA MAG FUC 0.005583 0.45992 5.22388
77 3VPB ADP 0.0002234 0.48134 5.35714
78 1U18 HSM 0.008799 0.42134 5.40541
79 3PDT ADP 0.00007538 0.54176 5.45455
80 1LOP SIN ALA PRO ALA NIT 0.03116 0.42455 5.4878
81 5C4L 4XR 0.00002434 0.41746 5.60748
82 1TQP ATP 0.000001279 0.58404 5.67376
83 5CAD PCA 0.03918 0.41259 5.79268
84 5T7I LAT NAG GAL 0.04506 0.4164 5.80645
85 5MG2 7M8 0.04408 0.41182 5.83942
86 4O4F ATP 0.001004 0.45307 6.04839
87 4O4F IHP 0.001113 0.44788 6.04839
88 4U98 ACP 0.0006859 0.48853 6.09756
89 5MRH Q9Z 0.01361 0.4397 6.09756
90 5FJJ MAN 0.01062 0.4202 6.09756
91 4LH7 1X8 0.001242 0.49977 6.19195
92 5T96 79J 0.02424 0.43556 6.40244
93 4WW7 AMP 0.0000001187 0.43222 6.51341
94 5MY8 RXZ 0.000001318 0.57785 6.70732
95 3I0O ADP 0.0002316 0.52888 6.70732
96 4UWH JXM 0.000419 0.5042 6.70732
97 3W0O ADP 0.00003085 0.50193 6.70732
98 3W0O HY0 0.00003085 0.50193 6.70732
99 3I0O SMI 0.04054 0.42034 6.70732
100 1QY1 PRZ 0.01946 0.40476 6.89655
101 5NBW 8SK 0.04666 0.40363 7.20721
102 4D4U FUC NDG GAL FUC 0.04545 0.41093 7.30159
103 3CTL S6P 0.02053 0.40929 7.35931
104 5O4F 8VE 0.03619 0.41653 7.36434
105 2CFM AMP 0.0009744 0.49599 7.92683
106 5DXT 5H5 0.006362 0.43357 7.92683
107 3UYW TAU 0.01583 0.4371 7.94393
108 3WVR AMP 0.0007333 0.49194 8.23171
109 4DFU QUE 0.002717 0.48301 8.38509
110 4XYM A12 0.0008162 0.47592 8.53659
111 5GZK BGC 0.02327 0.406 8.53659
112 5HWC FK5 0.04308 0.41237 8.69565
113 1PVC ILE SER GLU VAL 0.04905 0.42284 8.82353
114 4K55 H6P 0.02062 0.42999 8.87097
115 1GUX ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.03085 0.4066 9.21053
116 4OAV ACP 0.0000003263 0.65256 9.45122
117 5GZ9 ANP 0.0000005922 0.42897 9.83607
118 2BKK ADP 0.00002172 0.57581 10.0592
119 4RYV ZEA 0.03065 0.41674 10.3226
120 4ANW O92 0.00006516 0.48168 10.9756
121 1RGE 2GP 0.04941 0.41366 11.4583
122 1RNT 2GP 0.01939 0.41048 11.5385
123 3TDV GDP 0.000003823 0.59293 12.4183
124 3H9R TAK 0.0001112 0.55247 12.5
125 4NS0 PIO 0.01295 0.44691 12.782
126 2QLU ADE 0.0008328 0.50162 13.0573
127 1VJY 460 0.00000003239 0.61144 13.5314
128 1LNX URI 0.04315 0.41778 13.5802
129 4Z4P SAH 0.038 0.40206 14.4578
130 4Q5H ANP 0.0000002462 0.65055 14.4737
131 4AZT LY2 0.001295 0.48947 14.6341
132 3E8N ATP 0.000001411 0.50505 14.939
133 3E8N VRA 0.000001411 0.50505 14.939
134 5CKW ANP 0.000003398 0.62549 15.2439
135 5KBE IPH 0.03207 0.4234 15.2838
136 4O1P ANP 0.0000006253 0.40406 16.7683
137 3GNI ATP 0.000003571 0.58156 17.6829
138 3KMW ATP 0.0006549 0.48952 18.0812
139 1TZD ADP 0.0006359 0.51474 18.1818
140 5W2I ADP 0.000667 0.46432 18.677
141 5W2I I3P 0.000667 0.46432 18.677
142 4BKJ STI 0.0005568 0.46416 19.3651
143 4Y85 499 0.00001852 0.56597 19.8171
144 1W2D ADP 0.004253 0.46224 20
145 1W2D 4IP 0.002769 0.42542 20
146 5USZ SKE 0.0000002702 0.59609 20.0692
147 5C03 AGS 0.000001187 0.61751 20.122
148 4YZC STU 0.0000001628 0.49094 20.4268
149 3LQV ADE 0.01618 0.43282 20.5128
150 4WOV 3SM 0.00002914 0.56924 20.8202
151 5VC5 96M 0.000002946 0.42926 21.1073
152 4K33 ACP 0.00000008975 0.42934 21.8462
153 1Y57 MPZ 0.0000002505 0.62162 21.9512
154 2H8H H8H 0.000002442 0.60235 21.9512
155 4AT3 LTI 0.000149 0.47422 22.0736
156 2X2M X2M 0.0000003096 0.42847 22.6115
157 3RI1 3RH 0.0000000359 0.47623 22.6837
158 5UR1 YY9 0.00003314 0.43934 23.1511
159 3LXN MI1 0.0000001277 0.64887 23.2704
160 4IX4 ADP 0.0000002973 0.42127 23.4756
161 2XVD AS6 0.000003925 0.54275 23.5099
162 5JKG 6LF 0.00008883 0.41489 23.7942
163 3I7V B4P 0.005936 0.44549 23.8806
164 3SLS ANP 0.000000186 0.6342 24.0132
165 3SLS 77D 0.01206 0.42356 24.0132
166 4E1Z 0MX 0.0000003294 0.61629 24.3986
167 4GJ3 0XP 0.00000008081 0.60112 24.5033
168 5IQD RIO 0.000004243 0.45486 24.918
169 5IQD GNP 0.000003618 0.45371 24.918
170 4XH0 ADP 0.00001377 0.61369 25
171 3G5D 1N1 0.00000006923 0.54616 25.1748
172 4YMJ 4EJ 0.000000919 0.68177 25.3289
173 5T8O 76Z 0.00000002548 0.68144 25.6098
174 3ALN ANP 0.0000006589 0.61571 25.6881
175 4AG8 AXI 0.00002378 0.48826 25.9494
176 3VRY B43 0.00005253 0.50856 26.2195
177 4IDT T28 0.0000001187 0.67423 26.5244
178 2CSN CKI 0.000176 0.43576 26.936
179 5LXC 7AA 0.000000009569 0.42323 27.439
180 5HX8 66P 0.00000112 0.57548 27.4834
181 2F57 23D 0.00001113 0.58363 28.0757
182 5AWM ANP 0.000005 0.61664 28.3537
183 3GC0 AMP 0.000001286 0.63905 29.2683
184 5LI9 ACP 0.000001115 0.61178 29.2683
185 5LI1 ANP 0.00000002487 0.45069 29.2683
186 4BTK DTQ 0.0000001023 0.4286 29.2683
187 4H3P ANP 0.000000004715 0.73364 29.5732
188 5LPZ ADP 0.000000006649 0.72642 29.5732
189 5BYZ 4WE 0.00000009471 0.59837 29.5732
190 4WHZ 3NL 0.000005274 0.47699 29.5732
191 4H3Q ANP 0.0000000254 0.46164 29.5732
192 2WU6 DKI 0.000000008834 0.68677 29.878
193 5BVE 4VG 0.0000003027 0.47143 29.878
194 4AUA 4AU 0.0000007709 0.63413 29.9674
195 3PVW QRX 0.000001344 0.5721 30.1829
196 4YLL 4E3 0.000000245 0.44297 30.1829
197 5UKL SIX 0.00002426 0.40841 30.1829
198 3UIM ANP 0.00000004351 0.68696 30.3681
199 4FL3 ANP 0.0000000165 0.68223 30.4878
200 3GC8 B45 0.000001058 0.59972 30.4878
201 1CM8 ANP 0.0000004141 0.40829 30.4878
202 3KRR DQX 0.0000001388 0.54467 30.5085
203 5X8I SQZ 0.0000000021 0.75063 31.0976
204 4QTB 38Z 0.00000005504 0.47943 31.0976
205 5HCY 60D 0.00000003139 0.56463 31.4024
206 3VHE 42Q 0.000005867 0.53115 31.4763
207 4NST ADP 0.0000008256 0.62513 31.7073
208 4NST AF3 0.000001572 0.54902 31.7073
209 3C1X CKK 0.0002649 0.49017 31.7073
210 2HK5 1BM 0.0000004924 0.41568 31.8519
211 2JLD AG1 0.0000000001241 0.69958 32.0122
212 4CRL C1I 0.0000003652 0.56539 32.0122
213 5LXT ACP 0.001995 0.44666 32.1678
214 4E93 GUI 0.0000001581 0.58439 32.622
215 5LPB ADP 0.00000184 0.63951 32.7703
216 5HQ0 LZ9 0.00000004148 0.67159 32.7815
217 1U5R ATP 0.00000008029 0.67409 32.9268
218 5EFQ ADP 0.0000002635 0.64912 32.9268
219 3PP0 03Q 0.0000116 0.53226 32.9268
220 1OUK 084 0.00001004 0.50588 32.9268
221 4CLI 5P8 0.000002556 0.47657 33.3333
222 3LXK MI1 0.0000005912 0.58186 33.6391
223 4AU8 Z3R 0.000004255 0.62034 33.7838
224 2OO8 RAJ 0.0008298 0.46752 34.0694
225 5JFS 6K0 0.00001953 0.43911 34.0909
226 1UNH IXM 0.0000002102 0.67957 34.2466
227 3O0G 3O0 0.00000002049 0.42785 34.2466
228 1V0O INR 0.0000001429 0.65411 35.0694
229 3GQI ACP 0.00000001713 0.70654 35.2761
230 5TA6 79D 0.000002193 0.55803 35.3659
231 3TXO 07U 0.000000003917 0.43025 35.3659
232 5HES 032 0.000003438 0.40047 35.5049
233 3TTI KBI 0.00000005664 0.6245 35.6707
234 4Y93 746 0.000005771 0.55009 35.6707
235 5U6C 7YS 0.0000005739 0.61185 35.873
236 2BPM 529 0.0000000004513 0.60823 35.9223
237 1OPK P16 0.00011 0.47609 35.9756
238 3SRV S19 0.000000005421 0.43385 36.1011
239 4UX9 ANP 0.0000000273 0.68004 36.2805
240 4IZY 1J2 0.000000217 0.63815 36.2805
241 3KRL KRL 0.000007114 0.56192 36.2805
242 4CFU 2WC 0.00000000946 0.73842 36.3036
243 4BCM T7Z 0.000001476 0.66349 36.5448
244 3BU5 ATP 0.0000000186 0.43644 36.6013
245 4F4P 0SB 0.00000006754 0.55038 36.63
246 4BCN T9N 0.000000009942 0.74784 36.6667
247 5EOB 5QQ 0.0001016 0.44077 36.6771
248 5KO1 6UY 0.000005562 0.59176 36.7491
249 4QMN DB8 0.0000003213 0.55845 36.7742
250 3EKK GS2 0.000001765 0.52672 36.8078
251 5JGA 6KC 0.0000002759 0.5749 36.8254
252 5LMK 6ZK 0.0000001138 0.40467 37.037
253 1XJD STU 0.000000002772 0.73531 37.1951
254 3E7O 35F 0.00002276 0.49962 37.1951
255 2XMY CDK 0.00000258 0.50292 37.2483
256 1PHK ATP 0.000000002934 0.45922 37.2483
257 2B9I ADP 0.0000002428 0.65084 37.3938
258 2B9J ADP 0.0000004178 0.64726 37.3938
259 2B9H ADP 0.0000001048 0.43399 37.3938
260 3NW7 LGV 0.0001523 0.42579 37.4593
261 4P5Z Q7M 0.00001622 0.48774 37.5
262 2V7O DRN 0.000000005184 0.40211 37.5
263 2B9F ADP 0.000000344 0.4177 37.6771
264 5NKB 8ZT 0.000004441 0.49793 37.9085
265 3PLS ANP 0.00000002315 0.70928 37.9195
266 3IGO ANP 0.0000008322 0.60448 38.1098
267 1K3A ACP 0.000001236 0.63995 38.1271
268 4U0I 0LI 0.0002469 0.46209 38.4127
269 3F7Z 34O 0.000000001283 0.45733 38.4146
270 3ZRM ZRM 0.0000002016 0.41763 38.4146
271 3HMO STU 0.0000001627 0.66747 38.7195
272 4NM5 ADP 0.0000006393 0.60337 38.7195
273 4WB7 ATP 0.0000002848 0.56042 38.7195
274 4WB6 ATP 0.00000001076 0.48077 38.7195
275 4WNK 453 0.0000001655 0.59396 39.0244
276 4OTH DRN 0.000000000769 0.74305 39.3293
277 2PVF ACP 0.00000001608 0.71709 39.3293
278 1U59 STU 0.00000001924 0.7041 39.3728
279 1JPA ANP 0.00004688 0.57289 39.7436
280 4KBA 1QM 0.000001588 0.56389 39.8792
281 4I6H 1C8 0.0001835 0.51161 39.9351
282 5N87 N66 0.0000009914 0.54007 40.2556
283 2A19 ANP 0.0000002823 0.68241 40.493
284 2GU8 796 0.000000007653 0.53627 40.5488
285 2Y6O 1N1 0.000002965 0.57928 40.8935
286 1BYG STU 0.0000005714 0.64864 41.0072
287 4EWH T77 0.0000002139 0.60034 41.0909
288 3IDB ANP 0.000000008723 0.68701 41.1585
289 1RE8 BD2 0.0000000001502 0.61581 41.1585
290 3SXF BK5 0.00001257 0.50224 41.1585
291 2QCS ANP 0.000000006669 0.4857 41.1585
292 3FHI ANP 0.00000001239 0.48093 41.1585
293 2VZ6 FEF 0.000001962 0.6296 41.2141
294 4ASE AV9 0.00004592 0.50272 41.7683
295 4FG8 ATP 0.0000002718 0.42938 41.9048
296 5H2U 1N1 0.0004238 0.49402 41.9476
297 4BHN BH9 0.0000001997 0.63983 42.0732
298 5DA3 58V 0.00001407 0.59297 42.2642
299 4L9I 8PR 0.00003399 0.55295 42.378
300 5TO8 7FM 0.000008357 0.49485 42.5532
301 3SXS PP2 0.00001723 0.54976 42.9104
302 2OFV 242 0.00001261 0.49861 42.9603
303 4XLI 1N1 0.000001301 0.62291 43.2836
304 2WEI VGG 0.00003385 0.55929 43.554
305 3HZT J60 0.000001392 0.64591 43.5976
306 4CSV STI 0.0000545 0.51679 43.6364
307 3BZ3 YAM 0.00002122 0.43698 43.8406
308 4TWP AXI 0.0000158 0.46984 43.9114
309 5FBN 5WF 0.000007509 0.44102 43.9114
310 2ZV2 609 0.0000003296 0.67887 44.2953
311 5UOX 8GY 0.00000005316 0.65903 44.6494
312 4D2S DYK 0.0000025 0.62418 44.7183
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