Receptor
PDB id Resolution Class Description Source Keywords
4YYL 1.91 Å EC: 3.1.-.- PHENOLIC ACID DERIVATIVE BOUND TO INFLUENZA STRAIN H1N1 POLY SUBUNIT PA ENDONUCLEASE INFLUENZA A VIRUS (STRAIN A/PUERTO RICH1N1) HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: STRUCTURAL AND COMPUTATIONAL STUDY ON INHIBITORY CO FOR ENDONUCLEASE ACTIVITY OF INFLUENZA VIRUS POLYME BIOORG.MED.CHEM. V. 23 5466 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:305;
A:304;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
54.938 Mn [Mn+2...
SO4 A:306;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
4KN A:302;
A:301;
A:303;
 Valid;
Valid;
Valid;
 none;
none;
none;
 ic50 = 9.7 uM
278.233 C14 H11 F O5 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6E0Q 2.35 Å EC: 3.1.-.- THE N-TERMINAL DOMAIN OF PA ENDONUCLEASE FROM THE INFLUENZA IN COMPLEX WITH 4,6-DIHYDROXY-2-METHYL-5-OXOCYCLOHEPTA-1,3,1 -CARBOXYLIC ACID INFLUENZA A VIRUS INHIBITOR ENDONUCLEASE INFLUENZA PA DOMAIN HYDROLASE-HYDINHIBITOR COMPLEX VIRAL PROTEIN
Ref.: STRUCTURE-ACTIVITY RELATIONSHIPS IN METAL-BINDING PHARMACOPHORES FOR INFLUENZA ENDONUCLEASE. J. MED. CHEM. V. 61 10206 2018
Members (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 5D42 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
2 4YYL ic50 = 9.7 uM 4KN C14 H11 F O5 c1cc(ccc1O....
3 5WDN - G1K C17 H17 N3 O6 c1ccc(cc1)....
4 4ZI0 - 4P9 C13 H11 Cl N2 O3 c1cc(ccc1N....
5 4AWK ic50 = 0.13 uM CI1 C23 H24 Cl N O6 S c1ccc(cc1)....
6 5WE9 Ki = 0.06 uM GY7 C24 H22 F2 N4 O4 c1ccc(cc1)....
7 6E0Q ic50 = 8 nM HKD C9 H8 O5 CC1=C(C=C(....
8 5CL0 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
9 6DCY ic50 = 3.5 uM G5V C7 H6 O5 CC1=C(C(=O....
10 5CCY - TMP C10 H15 N2 O8 P CC1=CN(C(=....
11 4AVL - TMP C10 H15 N2 O8 P CC1=CN(C(=....
12 4AVG ic50 = 0.06 uM SL6 C23 H30 Cl N O4 c1cc(ccc1C....
13 6FS6 - E4Z C24 H19 F2 N3 O4 S c1ccc2c(c1....
14 5W44 Ki = 0.36 uM GY6 C24 H22 Cl2 N4 O4 c1ccc(cc1)....
15 5WEF Ki = 0.36 uM GY6 C24 H22 Cl2 N4 O4 c1ccc(cc1)....
16 5I13 - 4P9 C13 H11 Cl N2 O3 c1cc(ccc1N....
17 4E5L - DBH C7 H6 O4 c1cc(c(c(c....
18 5D9J Kd = 22 nM 0N8 C23 H24 Cl N O4 c1ccc(cc1)....
19 6FS7 - E4Z C24 H19 F2 N3 O4 S c1ccc2c(c1....
20 5W3I Ki = 1.6 uM GY5 C20 H24 N4 O6 COCCNC(=O)....
21 4E5F ic50 = 15 uM 0N7 C9 H7 N O3 c1ccc2c(c1....
22 5EGA ic50 = 8.7 uM GK0 C14 H12 N2 O7 c1c(cc(c(c....
23 6YA5 ic50 = 0.072 uM LU2 C15 H10 O6 c1cc(c(cc1....
24 6YEM ic50 = 0.29 uM OOH C15 H14 O7 CCCCC(=O)C....
25 6DZQ ic50 = 0.043 uM HJP C7 H6 O5 CC1=CC(=O)....
26 5W7U Ki = 0.009 uM GY8 C24 H21 Cl2 N5 O4 c1ccc2c(c1....
27 4LN7 ic50 = 0.041 uM 1ZQ C17 H11 F2 N O2 c1cc(ccc1c....
28 4E5J Ki = 18.7 uM 581 C13 H11 N3 O5 CC(=O)Nc1c....
29 4E5H ic50 = 0.43 uM 0N8 C23 H24 Cl N O4 c1ccc(cc1)....
30 5WCT - GY4 C17 H16 Cl N3 O5 c1cc(ccc1C....
31 5FDG - 0N8 C23 H24 Cl N O4 c1ccc(cc1)....
32 4ZHZ - 4P8 C14 H10 Cl N O4 c1ccc(c(c1....
33 4AWH - U5P C9 H13 N2 O9 P C1=CN(C(=O....
70% Homology Family (69)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 5D42 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
2 4YYL ic50 = 9.7 uM 4KN C14 H11 F O5 c1cc(ccc1O....
3 5WDN - G1K C17 H17 N3 O6 c1ccc(cc1)....
4 4ZI0 - 4P9 C13 H11 Cl N2 O3 c1cc(ccc1N....
5 4AWK ic50 = 0.13 uM CI1 C23 H24 Cl N O6 S c1ccc(cc1)....
6 5WE9 Ki = 0.06 uM GY7 C24 H22 F2 N4 O4 c1ccc(cc1)....
7 6E0Q ic50 = 8 nM HKD C9 H8 O5 CC1=C(C=C(....
8 5CL0 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
9 6DCY ic50 = 3.5 uM G5V C7 H6 O5 CC1=C(C(=O....
10 5CCY - TMP C10 H15 N2 O8 P CC1=CN(C(=....
11 4AVL - TMP C10 H15 N2 O8 P CC1=CN(C(=....
12 4AVG ic50 = 0.06 uM SL6 C23 H30 Cl N O4 c1cc(ccc1C....
13 6FS6 - E4Z C24 H19 F2 N3 O4 S c1ccc2c(c1....
14 5W44 Ki = 0.36 uM GY6 C24 H22 Cl2 N4 O4 c1ccc(cc1)....
15 5WEF Ki = 0.36 uM GY6 C24 H22 Cl2 N4 O4 c1ccc(cc1)....
16 5I13 - 4P9 C13 H11 Cl N2 O3 c1cc(ccc1N....
17 4E5L - DBH C7 H6 O4 c1cc(c(c(c....
18 5D9J Kd = 22 nM 0N8 C23 H24 Cl N O4 c1ccc(cc1)....
19 6FS7 - E4Z C24 H19 F2 N3 O4 S c1ccc2c(c1....
20 5W3I Ki = 1.6 uM GY5 C20 H24 N4 O6 COCCNC(=O)....
21 4E5F ic50 = 15 uM 0N7 C9 H7 N O3 c1ccc2c(c1....
22 5EGA ic50 = 8.7 uM GK0 C14 H12 N2 O7 c1c(cc(c(c....
23 6YA5 ic50 = 0.072 uM LU2 C15 H10 O6 c1cc(c(cc1....
24 6YEM ic50 = 0.29 uM OOH C15 H14 O7 CCCCC(=O)C....
25 6DZQ ic50 = 0.043 uM HJP C7 H6 O5 CC1=CC(=O)....
26 5W7U Ki = 0.009 uM GY8 C24 H21 Cl2 N5 O4 c1ccc2c(c1....
27 4LN7 ic50 = 0.041 uM 1ZQ C17 H11 F2 N O2 c1cc(ccc1c....
28 4E5J Ki = 18.7 uM 581 C13 H11 N3 O5 CC(=O)Nc1c....
29 4E5H ic50 = 0.43 uM 0N8 C23 H24 Cl N O4 c1ccc(cc1)....
30 5WCT - GY4 C17 H16 Cl N3 O5 c1cc(ccc1C....
31 5FDG - 0N8 C23 H24 Cl N O4 c1ccc(cc1)....
32 4ZHZ - 4P8 C14 H10 Cl N O4 c1ccc(c(c1....
33 4AWH - U5P C9 H13 N2 O9 P C1=CN(C(=O....
34 5WA7 Ki = 0.4 uM KU4 C26 H27 Cl N4 O5 c1ccc(cc1)....
35 5WG9 Ki = 2.6 uM KU4 C26 H27 Cl N4 O5 c1ccc(cc1)....
36 5VRJ - R07 C24 H20 F3 N3 O3 S C[C@H](C(F....
37 5VQN - R07 C24 H20 F3 N3 O3 S C[C@H](C(F....
38 5W92 Ki = 0.02 uM KU0 C23 H21 Cl2 N5 O6 S c1ccc(cc1)....
39 5WEI Ki = 2 uM GY6 C24 H22 Cl2 N4 O4 c1ccc(cc1)....
40 5VPX Kd = 4.6 uM R07 C24 H20 F3 N3 O3 S C[C@H](C(F....
41 5WDC Ki = 0.4 uM G2K C25 H25 Cl N4 O5 c1ccc(cc1)....
42 5WEB Ki = 0.01 uM KU5 C25 H25 Cl N4 O6 S2 c1ccc(cc1)....
43 5WB3 Ki = 0.06 uM GYA C28 H29 Cl N4 O6 S COc1cc2c(c....
44 5VPT Kd = 9.5 nM R07 C24 H20 F3 N3 O3 S C[C@H](C(F....
45 5DEB - U5P C9 H13 N2 O9 P C1=CN(C(=O....
46 5W9G Ki = 0.15 uM KU2 C25 H25 Cl N4 O5 S c1ccc(cc1)....
47 5WAP Ki = 0.3 uM KU9 C26 H25 Cl N4 O4 S c1ccc2c(c1....
48 5WDW Ki = 0.29 uM 8KU C26 H25 Cl N4 O5 S c1ccc2c(c1....
49 5D8U Kd = 949 nM 0N8 C23 H24 Cl N O4 c1ccc(cc1)....
50 5W73 Ki = 0.5 uM GY9 C25 H25 Cl N4 O6 c1ccc(cc1)....
51 5WFW Ki = 0.8 uM GYA C28 H29 Cl N4 O6 S COc1cc2c(c....
52 5WFM Ki = 0.3 uM KU5 C25 H25 Cl N4 O6 S2 c1ccc(cc1)....
53 5WF3 Ki = 1.4 uM KU2 C25 H25 Cl N4 O5 S c1ccc(cc1)....
54 5WFZ Ki < 0.01 uM KU0 C23 H21 Cl2 N5 O6 S c1ccc(cc1)....
55 4M5R ic50 = 1000 uM MSR C9 H8 N2 O c1cc(ccc1n....
56 4M4Q ic50 = 0.011 uM 21A C18 H12 F N5 O2 c1cc(ccc1c....
57 4MK1 ic50 = 16 uM 27Y C5 H4 Br N O2 C1=C(C(=O)....
58 4M5O ic50 = 0.38 uM X48 C11 H9 N O2 c1ccc(cc1)....
59 6NEM ic50 = 12 nM KKS C23 H17 N5 O2 c1ccc2c(c1....
60 4MK5 ic50 = 0.45 uM 28A C12 H11 N O3 COc1cccc(c....
61 4M5U ic50 = 0.023 uM 20F C18 H12 F N5 O2 c1cc(ccc1c....
62 6NEL ic50 = 11 nM KKV C18 H12 F N O4 c1cc(ccc1C....
63 4W9S ic50 = 0.15 uM 3K1 C11 H8 N6 O2 c1cc(ccc1c....
64 4MK2 ic50 = 0.73 uM 28B C12 H8 N2 O2 c1cc(cc(c1....
65 4AWF ic50 = 2.7 uM XI7 C10 H8 O4 c1ccc(cc1)....
66 4KIL ic50 = 0.5 uM 1R5 C15 H10 F N O2 c1cc(ccc1c....
67 3HW4 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
68 3HW3 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
69 3HW5 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (71)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 5D42 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
2 4YYL ic50 = 9.7 uM 4KN C14 H11 F O5 c1cc(ccc1O....
3 5WDN - G1K C17 H17 N3 O6 c1ccc(cc1)....
4 4ZI0 - 4P9 C13 H11 Cl N2 O3 c1cc(ccc1N....
5 4AWK ic50 = 0.13 uM CI1 C23 H24 Cl N O6 S c1ccc(cc1)....
6 5WE9 Ki = 0.06 uM GY7 C24 H22 F2 N4 O4 c1ccc(cc1)....
7 6E0Q ic50 = 8 nM HKD C9 H8 O5 CC1=C(C=C(....
8 5CL0 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
9 6DCY ic50 = 3.5 uM G5V C7 H6 O5 CC1=C(C(=O....
10 5CCY - TMP C10 H15 N2 O8 P CC1=CN(C(=....
11 4AVL - TMP C10 H15 N2 O8 P CC1=CN(C(=....
12 4AVG ic50 = 0.06 uM SL6 C23 H30 Cl N O4 c1cc(ccc1C....
13 6FS6 - E4Z C24 H19 F2 N3 O4 S c1ccc2c(c1....
14 5W44 Ki = 0.36 uM GY6 C24 H22 Cl2 N4 O4 c1ccc(cc1)....
15 5WEF Ki = 0.36 uM GY6 C24 H22 Cl2 N4 O4 c1ccc(cc1)....
16 5I13 - 4P9 C13 H11 Cl N2 O3 c1cc(ccc1N....
17 4E5L - DBH C7 H6 O4 c1cc(c(c(c....
18 5D9J Kd = 22 nM 0N8 C23 H24 Cl N O4 c1ccc(cc1)....
19 6FS7 - E4Z C24 H19 F2 N3 O4 S c1ccc2c(c1....
20 5W3I Ki = 1.6 uM GY5 C20 H24 N4 O6 COCCNC(=O)....
21 4E5F ic50 = 15 uM 0N7 C9 H7 N O3 c1ccc2c(c1....
22 5EGA ic50 = 8.7 uM GK0 C14 H12 N2 O7 c1c(cc(c(c....
23 6YA5 ic50 = 0.072 uM LU2 C15 H10 O6 c1cc(c(cc1....
24 6YEM ic50 = 0.29 uM OOH C15 H14 O7 CCCCC(=O)C....
25 6DZQ ic50 = 0.043 uM HJP C7 H6 O5 CC1=CC(=O)....
26 5W7U Ki = 0.009 uM GY8 C24 H21 Cl2 N5 O4 c1ccc2c(c1....
27 4LN7 ic50 = 0.041 uM 1ZQ C17 H11 F2 N O2 c1cc(ccc1c....
28 4E5J Ki = 18.7 uM 581 C13 H11 N3 O5 CC(=O)Nc1c....
29 4E5H ic50 = 0.43 uM 0N8 C23 H24 Cl N O4 c1ccc(cc1)....
30 5WCT - GY4 C17 H16 Cl N3 O5 c1cc(ccc1C....
31 5FDG - 0N8 C23 H24 Cl N O4 c1ccc(cc1)....
32 4ZHZ - 4P8 C14 H10 Cl N O4 c1ccc(c(c1....
33 4AWH - U5P C9 H13 N2 O9 P C1=CN(C(=O....
34 5WA7 Ki = 0.4 uM KU4 C26 H27 Cl N4 O5 c1ccc(cc1)....
35 5WG9 Ki = 2.6 uM KU4 C26 H27 Cl N4 O5 c1ccc(cc1)....
36 5VRJ - R07 C24 H20 F3 N3 O3 S C[C@H](C(F....
37 5VQN - R07 C24 H20 F3 N3 O3 S C[C@H](C(F....
38 5W92 Ki = 0.02 uM KU0 C23 H21 Cl2 N5 O6 S c1ccc(cc1)....
39 5WEI Ki = 2 uM GY6 C24 H22 Cl2 N4 O4 c1ccc(cc1)....
40 5VPX Kd = 4.6 uM R07 C24 H20 F3 N3 O3 S C[C@H](C(F....
41 5WDC Ki = 0.4 uM G2K C25 H25 Cl N4 O5 c1ccc(cc1)....
42 5WEB Ki = 0.01 uM KU5 C25 H25 Cl N4 O6 S2 c1ccc(cc1)....
43 5WB3 Ki = 0.06 uM GYA C28 H29 Cl N4 O6 S COc1cc2c(c....
44 5VPT Kd = 9.5 nM R07 C24 H20 F3 N3 O3 S C[C@H](C(F....
45 5DEB - U5P C9 H13 N2 O9 P C1=CN(C(=O....
46 5W9G Ki = 0.15 uM KU2 C25 H25 Cl N4 O5 S c1ccc(cc1)....
47 5WAP Ki = 0.3 uM KU9 C26 H25 Cl N4 O4 S c1ccc2c(c1....
48 5WDW Ki = 0.29 uM 8KU C26 H25 Cl N4 O5 S c1ccc2c(c1....
49 5D8U Kd = 949 nM 0N8 C23 H24 Cl N O4 c1ccc(cc1)....
50 5W73 Ki = 0.5 uM GY9 C25 H25 Cl N4 O6 c1ccc(cc1)....
51 5WFW Ki = 0.8 uM GYA C28 H29 Cl N4 O6 S COc1cc2c(c....
52 5WFM Ki = 0.3 uM KU5 C25 H25 Cl N4 O6 S2 c1ccc(cc1)....
53 5WF3 Ki = 1.4 uM KU2 C25 H25 Cl N4 O5 S c1ccc(cc1)....
54 5WFZ Ki < 0.01 uM KU0 C23 H21 Cl2 N5 O6 S c1ccc(cc1)....
55 4M5R ic50 = 1000 uM MSR C9 H8 N2 O c1cc(ccc1n....
56 4M4Q ic50 = 0.011 uM 21A C18 H12 F N5 O2 c1cc(ccc1c....
57 4MK1 ic50 = 16 uM 27Y C5 H4 Br N O2 C1=C(C(=O)....
58 4M5O ic50 = 0.38 uM X48 C11 H9 N O2 c1ccc(cc1)....
59 6NEM ic50 = 12 nM KKS C23 H17 N5 O2 c1ccc2c(c1....
60 4MK5 ic50 = 0.45 uM 28A C12 H11 N O3 COc1cccc(c....
61 4M5U ic50 = 0.023 uM 20F C18 H12 F N5 O2 c1cc(ccc1c....
62 6NEL ic50 = 11 nM KKV C18 H12 F N O4 c1cc(ccc1C....
63 4W9S ic50 = 0.15 uM 3K1 C11 H8 N6 O2 c1cc(ccc1c....
64 4MK2 ic50 = 0.73 uM 28B C12 H8 N2 O2 c1cc(cc(c1....
65 6FS9 - E4Z C24 H19 F2 N3 O4 S c1ccc2c(c1....
66 6FS8 - E4Z C24 H19 F2 N3 O4 S c1ccc2c(c1....
67 4AWF ic50 = 2.7 uM XI7 C10 H8 O4 c1ccc(cc1)....
68 4KIL ic50 = 0.5 uM 1R5 C15 H10 F N O2 c1cc(ccc1c....
69 3HW4 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
70 3HW3 - U5P C9 H13 N2 O9 P C1=CN(C(=O....
71 3HW5 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4KN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 4KN 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 4KN; Similar ligands found: 431
No: Ligand Similarity coefficient
1 HCC 0.9731
2 BUN 0.9576
3 4P9 0.9568
4 CX5 0.9327
5 J2W 0.9307
6 G50 0.9307
7 F91 0.9274
8 5RW 0.9272
9 4B8 0.9271
10 BFS 0.9261
11 ZW2 0.9261
12 1UA 0.9253
13 5RX 0.9245
14 IPJ 0.9229
15 5R9 0.9216
16 8XY 0.9200
17 9N2 0.9191
18 43J 0.9191
19 4VC 0.9190
20 EXP 0.9185
21 T5J 0.9172
22 C0V 0.9166
23 5V3 0.9163
24 F5N 0.9161
25 00G 0.9160
26 246 0.9158
27 4JV 0.9157
28 NAR 0.9151
29 MQS 0.9147
30 9EG 0.9140
31 1V0 0.9128
32 F41 0.9127
33 9X0 0.9126
34 9RK 0.9123
35 1UR 0.9122
36 H0V 0.9121
37 E8Z 0.9099
38 87F 0.9095
39 1UT 0.9094
40 W2E 0.9091
41 9ME 0.9091
42 DX6 0.9086
43 0OM 0.9080
44 9MK 0.9080
45 JPW 0.9076
46 CHJ 0.9075
47 X8W 0.9074
48 TQ4 0.9065
49 RF2 0.9061
50 IXE 0.9061
51 7SB 0.9052
52 QRN 0.9052
53 XYS AZI XYS 0.9048
54 58L 0.9046
55 EBB 0.9046
56 D5F 0.9045
57 3TI 0.9044
58 15I 0.9041
59 BZM 0.9040
60 F08 0.9040
61 L12 0.9038
62 21X 0.9032
63 E92 0.9030
64 M62 0.9028
65 4A8 0.9028
66 SIJ 0.9026
67 KTM 0.9024
68 39R 0.9023
69 MF5 0.9022
70 797 0.9016
71 41L 0.9015
72 68Q 0.9014
73 PFT 0.9013
74 JOT 0.9006
75 MQR 0.9000
76 TCT 0.9000
77 E98 0.8998
78 IXF 0.8998
79 A45 0.8995
80 3WL 0.8994
81 YH2 0.8993
82 IW3 0.8993
83 IDE 0.8993
84 68C 0.8991
85 4BE 0.8990
86 CWP 0.8985
87 CHV 0.8985
88 OX3 0.8984
89 WDU 0.8984
90 SCE 0.8982
91 M16 0.8980
92 4AJ 0.8978
93 3G3 0.8977
94 F36 0.8976
95 J2Q 0.8976
96 97K 0.8973
97 KTG 0.8971
98 A9E 0.8970
99 OA5 0.8969
100 5RU 0.8969
101 FO2 0.8966
102 OSY 0.8962
103 BGK 0.8960
104 L81 0.8959
105 9M9 0.8958
106 KTV 0.8957
107 5ET 0.8956
108 EUB 0.8954
109 0RU 0.8954
110 S45 0.8948
111 D64 0.8948
112 PV8 0.8946
113 9PC 0.8945
114 GP6 0.8942
115 A63 0.8941
116 4YE 0.8938
117 6B5 0.8937
118 5WW 0.8936
119 JQN 0.8934
120 DFV 0.8933
121 LFK 0.8930
122 LRT 0.8928
123 D4X 0.8927
124 0RB 0.8927
125 873 0.8925
126 245 0.8918
127 LU2 0.8916
128 PZX 0.8914
129 7ZO 0.8910
130 1V8 0.8904
131 IW5 0.8900
132 JVB 0.8897
133 BMU 0.8897
134 35K 0.8896
135 YH1 0.8895
136 WDX 0.8894
137 BXB 0.8894
138 87C 0.8894
139 VHD 0.8893
140 29F 0.8893
141 L02 0.8892
142 4UZ 0.8891
143 QDR 0.8891
144 28C 0.8888
145 EUK 0.8888
146 1UZ 0.8887
147 1R5 0.8883
148 WDW 0.8879
149 16J 0.8878
150 IY5 0.8876
151 1PB 0.8872
152 2ZI 0.8870
153 TFX 0.8870
154 72H 0.8869
155 IXG 0.8868
156 0MB 0.8868
157 80R 0.8867
158 BDE 0.8867
159 PT1 0.8865
160 APT 0.8865
161 SE5 0.8864
162 4YF 0.8864
163 JON 0.8863
164 VXM 0.8862
165 STS 0.8861
166 20P 0.8860
167 06R 0.8859
168 TYP 0.8859
169 08C 0.8858
170 JP5 0.8858
171 A64 0.8856
172 XDM 0.8854
173 HPX 0.8852
174 0QX 0.8851
175 2RB 0.8849
176 HN2 0.8848
177 PV1 0.8847
178 8MF 0.8845
179 ESJ 0.8844
180 GYZ 0.8844
181 HUL 0.8844
182 AUQ 0.8844
183 HN3 0.8843
184 STL 0.8842
185 PB2 0.8841
186 JE7 0.8839
187 0QR 0.8837
188 PV2 0.8837
189 6IP 0.8835
190 QUG 0.8835
191 Y27 0.8834
192 M7O 0.8833
193 MT6 0.8832
194 WLL 0.8832
195 43G 0.8830
196 A0R 0.8829
197 JV5 0.8829
198 WRB 0.8828
199 PQD 0.8825
200 RKY 0.8824
201 VXP 0.8822
202 D2S 0.8822
203 5HG 0.8822
204 JP3 0.8822
205 338 0.8820
206 62P 0.8819
207 KVW 0.8817
208 B7U 0.8813
209 D9Q 0.8812
210 2ZT 0.8805
211 6EO 0.8804
212 NVS 0.8804
213 AD6 0.8801
214 7PS 0.8799
215 QTK 0.8799
216 AGI 0.8798
217 27F 0.8796
218 AJ6 0.8796
219 G2V 0.8794
220 MQ1 0.8794
221 XYP XYP 0.8794
222 1Q2 0.8792
223 EMU 0.8790
224 F33 0.8789
225 JCQ 0.8785
226 6BK 0.8785
227 9YD 0.8785
228 5EZ 0.8784
229 SJR 0.8783
230 QUE 0.8783
231 LOX XYP 0.8781
232 JP8 0.8781
233 C4F 0.8780
234 38D 0.8780
235 YH6 0.8780
236 TCW 0.8779
237 PV0 0.8778
238 EWT 0.8777
239 XAV 0.8776
240 OUL 0.8776
241 1HX 0.8776
242 22J 0.8775
243 RNP 0.8775
244 BAI 0.8774
245 QEI 0.8774
246 9JH 0.8773
247 100 0.8773
248 B1W 0.8772
249 B1N 0.8772
250 CMP 0.8771
251 SVG 0.8771
252 31F 0.8767
253 135 0.8767
254 YH4 0.8766
255 SAQ 0.8764
256 536 0.8764
257 BSU 0.8764
258 PZJ 0.8761
259 17W 0.8759
260 88S 0.8759
261 KOT 0.8758
262 EX7 0.8758
263 1VG 0.8757
264 FZ8 0.8755
265 2OX 0.8754
266 6MY 0.8751
267 124 0.8751
268 Q19 0.8751
269 SZA 0.8750
270 658 0.8744
271 XEB 0.8744
272 8E3 0.8739
273 AX6 0.8738
274 LJ1 0.8737
275 WWZ 0.8735
276 LI4 0.8735
277 NNF 0.8735
278 1HP 0.8734
279 P34 0.8732
280 IEE 0.8730
281 49G 0.8730
282 PIT 0.8728
283 ZTW 0.8727
284 IOC 0.8726
285 YH3 0.8726
286 KWD 0.8726
287 GJW 0.8723
288 E1F 0.8723
289 3K1 0.8721
290 G8V 0.8720
291 KUQ 0.8720
292 XYP XIM 0.8717
293 BRN 0.8717
294 S0B 0.8717
295 ZQC 0.8717
296 I0D 0.8714
297 4V5 0.8713
298 ZEA 0.8711
299 NQE 0.8707
300 907 0.8705
301 78H 0.8703
302 0B3 0.8700
303 ZX8 0.8698
304 O9Z 0.8698
305 5RZ 0.8698
306 GEN 0.8696
307 ALJ 0.8693
308 D59 0.8692
309 A5W 0.8689
310 DN8 0.8688
311 CWE 0.8685
312 5RV 0.8683
313 LIT 0.8683
314 INV 0.8679
315 MBT 0.8679
316 4TX 0.8679
317 5RY 0.8677
318 AJ4 0.8676
319 TH1 0.8675
320 122 0.8674
321 BMZ 0.8674
322 531 0.8672
323 KT4 0.8672
324 BVB 0.8671
325 KS2 0.8670
326 QNI 0.8670
327 JV8 0.8669
328 BC3 0.8669
329 NQK 0.8669
330 51P 0.8669
331 BSB 0.8667
332 0VN 0.8667
333 IJ4 0.8665
334 4WA 0.8664
335 49Z 0.8664
336 1Q4 0.8664
337 UV4 0.8664
338 6U5 0.8664
339 802 0.8662
340 8JS 0.8660
341 4ZW 0.8660
342 4EU 0.8660
343 F7L 0.8658
344 KK7 0.8658
345 ZX7 0.8655
346 6JP 0.8655
347 0NJ 0.8655
348 MXM 0.8654
349 28E 0.8653
350 120 0.8653
351 SNP 0.8651
352 0SZ 0.8650
353 OSJ 0.8649
354 83S 0.8646
355 IPL 0.8646
356 HH7 0.8646
357 0XR 0.8641
358 GN5 0.8639
359 Q2S 0.8637
360 IYX 0.8637
361 EEK 0.8636
362 3RL 0.8634
363 KSY 0.8634
364 40N 0.8632
365 801 0.8632
366 F13 0.8631
367 YX0 0.8626
368 HFG 0.8625
369 FZ9 0.8623
370 JZJ 0.8622
371 SNJ 0.8622
372 PY1 0.8620
373 397 0.8619
374 TOP 0.8619
375 CMZ 0.8618
376 F6B 0.8618
377 M0V 0.8618
378 D8Y 0.8617
379 2UV 0.8616
380 M77 0.8615
381 GU7 0.8615
382 EFT 0.8615
383 LJ2 0.8612
384 VXS 0.8610
385 INW 0.8610
386 D4O 0.8607
387 F70 0.8605
388 7G2 0.8604
389 Q7U 0.8604
390 BZD 0.8603
391 S38 0.8602
392 GBJ 0.8601
393 Z3R 0.8600
394 3BE 0.8600
395 PNJ 0.8597
396 460 0.8597
397 E9L 0.8596
398 OUA 0.8593
399 6XR 0.8592
400 HA1 0.8591
401 5C1 0.8591
402 0O7 0.8584
403 FSB 0.8583
404 AO 0.8583
405 58Z 0.8582
406 T34 0.8581
407 KUP 0.8579
408 FL9 0.8577
409 K3T 0.8576
410 2TH 0.8576
411 2OH 0.8575
412 4BG 0.8574
413 LJ5 0.8574
414 PGI 0.8574
415 HAU 0.8573
416 BCE 0.8572
417 53N 0.8571
418 272 0.8570
419 VGV 0.8569
420 O0D 0.8568
421 QS4 0.8567
422 PNW 0.8559
423 R7T 0.8559
424 147 0.8557
425 1W3 0.8556
426 H35 0.8553
427 2BE 0.8549
428 334 0.8537
429 OSD 0.8536
430 6ZM 0.8524
431 DBE 0.8522
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6E0Q; Ligand: HKD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6e0q.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
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