Receptor
PDB id Resolution Class Description Source Keywords
6DCY 2.08 Å EC: 3.1.-.- THE N-TERMINAL DOMAIN OF PA ENDONUCLEASE FROM THE INFLUENZA IN COMPLEX WITH 5-HYDROXY-2-METHYL-4-OXO-4H-PYRAN-3-CARBOXY INFLUENZA A VIRUS INHIBITOR ENDONUCLEASE INFLUENZA PA DOMAIN HYDROLASE-HYDINHIBITOR COMPLEX
Ref.: STRUCTURE-ACTIVITY RELATIONSHIPS IN METAL-BINDING PHARMACOPHORES FOR INFLUENZA ENDONUCLEASE. J. MED. CHEM. V. 61 10206 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
G5V A:303;
 Valid;
 none;
 ic50 = 3.5 uM
170.12 C7 H6 O5 CC1=C...
PHE ARG GLN SER GLU ARG A:191;
 Invalid;
 none;
 submit data
n/a n/a
MN A:302;
A:301;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
54.938 Mn [Mn+2...
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: G5V; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 G5V 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: G5V; Similar ligands found: 1046
No: Ligand Similarity coefficient
1 HXX 0.9968
2 BGC 0.9817
3 3HA 0.9740
4 G3F 0.9731
5 5RG 0.9721
6 GRE 0.9716
7 3F0 0.9707
8 GLC 0.9707
9 DBH 0.9703
10 FE DB1 0.9702
11 GTQ 0.9698
12 ISE 0.9695
13 3M0 0.9688
14 54G 0.9672
15 XYP 0.9671
16 GCS 0.9668
17 9TZ 0.9667
18 6CS 0.9667
19 5M0 0.9665
20 39A 0.9662
21 JBK 0.9658
22 8S0 0.9653
23 6M1 0.9646
24 6F0 0.9645
25 2ZV 0.9645
26 DFB 0.9638
27 PFB 0.9637
28 5MK 0.9630
29 G6D 0.9627
30 LXC 0.9620
31 G1O 0.9617
32 D3M 0.9616
33 3WA 0.9612
34 Q6T 0.9594
35 PXL 0.9587
36 UNC 0.9587
37 SX1 0.9583
38 AKH 0.9570
39 NOJ 0.9567
40 BE2 0.9554
41 SAL 0.9553
42 5WY 0.9547
43 PYQ 0.9546
44 JUG 0.9545
45 G2F 0.9542
46 CFF 0.9541
47 42C 0.9538
48 7NI 0.9537
49 TEP 0.9536
50 JBQ 0.9528
51 FOT 0.9526
52 GAL 0.9522
53 TTL 0.9518
54 A7W 0.9512
55 3U4 0.9507
56 ES6 0.9503
57 IJZ 0.9502
58 AHR 0.9500
59 3SK 0.9491
60 24W 0.9490
61 SJ5 0.9481
62 BDP 0.9479
63 0P6 0.9479
64 IFL 0.9478
65 EA1 0.9478
66 3IT 0.9476
67 4SV 0.9472
68 3FH 0.9470
69 KJH 0.9470
70 HQT 0.9470
71 CWS 0.9470
72 HFB 0.9468
73 12Q 0.9466
74 32X 0.9462
75 INS 0.9460
76 IFM 0.9459
77 5RN 0.9458
78 XAN 0.9455
79 EXO 0.9455
80 5Q0 0.9452
81 HHA 0.9451
82 7ZE 0.9449
83 SKA 0.9449
84 GUN 0.9448
85 7W1 0.9448
86 GOG 0.9447
87 5CU 0.9446
88 HQY 0.9445
89 MEW 0.9443
90 JBE 0.9439
91 NQ 0.9438
92 2ZQ 0.9436
93 12B 0.9435
94 PE0 0.9434
95 ES1 0.9434
96 1NP 0.9433
97 5SG 0.9432
98 LGC 0.9431
99 M1Q 0.9430
100 AZF 0.9429
101 AZA 0.9429
102 9DG 0.9427
103 KUF 0.9427
104 1LQ 0.9425
105 C2U 0.9424
106 JKE 0.9423
107 HJP 0.9423
108 5QX 0.9423
109 67N 0.9422
110 37T 0.9422
111 B57 0.9421
112 KJY 0.9420
113 6M4 0.9419
114 4AA 0.9418
115 NTM 0.9418
116 1WD 0.9415
117 1P7 0.9415
118 KLW 0.9413
119 AZ8 0.9413
120 O72 0.9413
121 J9W 0.9411
122 LKA 0.9411
123 DQN 0.9409
124 IGA 0.9408
125 N5J 0.9408
126 INE 0.9408
127 GYE 0.9406
128 M6N 0.9405
129 FA0 0.9404
130 7WV 0.9403
131 DOB 0.9403
132 NOY 0.9403
133 1SQ 0.9403
134 SVN 0.9402
135 8CM 0.9402
136 Q24 0.9401
137 M1A 0.9400
138 OXZ 0.9398
139 NID 0.9398
140 PXM 0.9397
141 FBT 0.9396
142 4M0 0.9396
143 141 0.9396
144 AJ2 0.9396
145 COU 0.9396
146 EYK 0.9395
147 25W 0.9395
148 DBX 0.9393
149 K5W 0.9393
150 BHA 0.9391
151 EVA 0.9389
152 AZ9 0.9389
153 M5K 0.9388
154 4YS 0.9387
155 H42 0.9387
156 AQO 0.9384
157 3MG 0.9384
158 82I 0.9381
159 IP0 0.9380
160 4HC 0.9380
161 A2F 0.9378
162 5IQ 0.9378
163 LSA 0.9377
164 6AP 0.9375
165 3Z8 0.9374
166 JPZ 0.9372
167 VK3 0.9371
168 PCI 0.9371
169 9MG 0.9370
170 KBB 0.9369
171 E7Z 0.9367
172 BCF 0.9367
173 F5B 0.9366
174 03V 0.9366
175 PHT 0.9365
176 VNJ 0.9365
177 4FS 0.9365
178 RXA 0.9365
179 KFH 0.9364
180 HLZ 0.9364
181 M2K 0.9364
182 I3A 0.9363
183 BBF 0.9363
184 TTY 0.9362
185 GCU 0.9362
186 ICO 0.9361
187 23A 0.9361
188 SHG 0.9359
189 HH8 0.9359
190 3RK 0.9359
191 7B4 0.9356
192 XYS 0.9353
193 DHQ 0.9352
194 EQT 0.9350
195 4XH 0.9350
196 MRW 0.9350
197 7VS 0.9348
198 ADZ 0.9348
199 DIN 0.9348
200 1XM 0.9347
201 XXR 0.9346
202 B60 0.9345
203 4Z4 0.9344
204 IBF 0.9344
205 FRU 0.9340
206 6GU 0.9337
207 7HQ 0.9336
208 CFP 0.9336
209 Q88 0.9336
210 2AQ 0.9336
211 OCH 0.9336
212 0W8 0.9334
213 3R6 0.9333
214 2H5 0.9333
215 ISN 0.9332
216 5NU 0.9331
217 KT7 0.9329
218 M0W 0.9329
219 SOE 0.9326
220 9KT 0.9326
221 ES5 0.9325
222 SWA 0.9325
223 JB5 0.9324
224 5WX 0.9320
225 1DW 0.9320
226 YH7 0.9318
227 M0Q 0.9317
228 APZ 0.9317
229 HQD 0.9317
230 AZG 0.9315
231 1XN 0.9315
232 06B 0.9314
233 MZB 0.9313
234 PHH 0.9310
235 5WV 0.9309
236 DIE 0.9307
237 DRL 0.9307
238 15L 0.9306
239 BNT 0.9306
240 4MU 0.9304
241 M1H 0.9303
242 NPY 0.9302
243 G3E 0.9301
244 290 0.9300
245 1U6 0.9299
246 P3K 0.9297
247 ES0 0.9297
248 KKN 0.9295
249 QUZ 0.9295
250 F3B 0.9294
251 UEG 0.9292
252 3DM 0.9290
253 DIU 0.9290
254 GZ8 0.9288
255 MWP 0.9288
256 FDB 0.9288
257 ADK 0.9287
258 QAT 0.9285
259 BZX 0.9285
260 NTZ 0.9284
261 DX4 0.9283
262 NDM 0.9283
263 8GC 0.9282
264 IPB 0.9281
265 680 0.9280
266 BOA 0.9279
267 4CS 0.9279
268 495 0.9278
269 CWM 0.9277
270 9EW 0.9275
271 5OB 0.9274
272 MT0 0.9269
273 URC 0.9268
274 IV2 0.9267
275 0N7 0.9267
276 53C 0.9266
277 DBJ 0.9265
278 F05 0.9264
279 B53 0.9264
280 MVL 0.9264
281 MAQ 0.9262
282 3HB 0.9259
283 DMD 0.9257
284 3PF 0.9257
285 ASO 0.9255
286 GOO 0.9255
287 GAB 0.9255
288 4ZC 0.9253
289 F81 0.9253
290 IPZ 0.9253
291 3NT 0.9253
292 3ID 0.9253
293 5B1 0.9253
294 B62 0.9252
295 FYU 0.9251
296 0CU 0.9251
297 BTE 0.9250
298 GT0 0.9250
299 CTL 0.9250
300 3Z7 0.9249
301 5QY 0.9246
302 RPQ 0.9244
303 MUA 0.9244
304 LCN 0.9241
305 YQA 0.9240
306 DPZ 0.9240
307 ADE 0.9239
308 M1E 0.9239
309 R8V 0.9239
310 YSO 0.9238
311 ARB 0.9237
312 CLZ 0.9237
313 86J 0.9235
314 QPR 0.9234
315 HZQ 0.9234
316 HH5 0.9234
317 NMJ 0.9233
318 ES7 0.9233
319 2HQ 0.9231
320 24B 0.9229
321 GIM 0.9229
322 QBK 0.9228
323 TOF 0.9227
324 LI6 0.9227
325 1LM 0.9226
326 GJS 0.9225
327 7W4 0.9224
328 14O 0.9220
329 SWD 0.9220
330 6M9 0.9219
331 SE2 0.9219
332 XQ0 0.9218
333 GCB 0.9217
334 4ME 0.9217
335 D48 0.9217
336 KYD 0.9215
337 PQ0 0.9215
338 8XQ 0.9212
339 HPA 0.9212
340 WCE 0.9211
341 GIO 0.9210
342 091 0.9207
343 5H1 0.9207
344 GM7 0.9206
345 ZVO 0.9206
346 OVV 0.9206
347 5CL 0.9206
348 4NC 0.9204
349 JAE 0.9204
350 SXS 0.9203
351 0FO 0.9203
352 8TX 0.9202
353 RM1 0.9202
354 5HN 0.9200
355 BZ3 0.9199
356 3AB 0.9198
357 SYV 0.9197
358 FBV 0.9196
359 3MA 0.9196
360 JBH 0.9196
361 PFL 0.9194
362 KIB 0.9194
363 AEZ 0.9190
364 ALL 0.9189
365 CTS 0.9187
366 HMU 0.9184
367 B55 0.9184
368 5RO 0.9182
369 226 0.9182
370 K17 0.9182
371 KJU 0.9181
372 I1N 0.9178
373 QAS 0.9177
374 0RW 0.9175
375 FLV 0.9175
376 HTP 0.9174
377 BEA 0.9172
378 F60 0.9171
379 GLA 0.9169
380 V55 0.9168
381 JZ3 0.9167
382 MO8 0.9167
383 3DO 0.9166
384 HNQ 0.9164
385 FUL 0.9164
386 DNF 0.9163
387 XHP 0.9163
388 PDC 0.9162
389 AFR 0.9161
390 9HX 0.9161
391 2CK 0.9161
392 LT2 0.9161
393 LZM 0.9160
394 TBS 0.9160
395 9DA 0.9157
396 HLR 0.9157
397 5MB 0.9155
398 7HP 0.9154
399 BTY 0.9154
400 2D0 0.9154
401 2EC 0.9153
402 42A 0.9153
403 ES9 0.9152
404 XAZ 0.9151
405 FB1 0.9150
406 75K 0.9150
407 DQU 0.9148
408 HMH 0.9147
409 7WA 0.9146
410 UAN 0.9146
411 QX2 0.9146
412 3XX 0.9145
413 6MP 0.9145
414 6AI 0.9142
415 ZB1 0.9142
416 948 0.9140
417 23J 0.9139
418 11S 0.9137
419 F12 0.9137
420 BRT 0.9135
421 PRF 0.9134
422 2K4 0.9133
423 7B3 0.9132
424 QX4 0.9132
425 260 0.9130
426 7VJ 0.9130
427 92K 0.9130
428 J5I 0.9130
429 GDE 0.9128
430 2CL 0.9127
431 5NE 0.9125
432 BCP 0.9125
433 BP1 0.9124
434 FK1 0.9124
435 KIA 0.9123
436 H4N 0.9122
437 51R 0.9121
438 KBG 0.9121
439 XQG 0.9120
440 5MI 0.9120
441 RAM 0.9119
442 N8Y 0.9118
443 EUG 0.9117
444 WOO 0.9112
445 149 0.9112
446 5JQ 0.9110
447 44W 0.9110
448 MNM 0.9109
449 BMA 0.9108
450 ORO 0.9108
451 0MK 0.9108
452 10L 0.9107
453 3OC 0.9104
454 MAN 0.9104
455 VNL 0.9104
456 PYG 0.9103
457 EJZ 0.9101
458 173 0.9100
459 P9P 0.9098
460 44V 0.9097
461 QWN 0.9096
462 4JT 0.9095
463 LYL 0.9094
464 OA3 0.9094
465 NK 0.9093
466 FPK 0.9093
467 D1X 0.9091
468 EKZ 0.9091
469 B0D 0.9091
470 Z5P 0.9091
471 0R0 0.9090
472 HIO 0.9089
473 OTW 0.9089
474 ZZT 0.9088
475 DHB 0.9088
476 8IG 0.9088
477 MYJ 0.9086
478 FBB 0.9086
479 X05 0.9085
480 GZL 0.9084
481 NDH 0.9083
482 TAG 0.9082
483 CN0 0.9081
484 4TU 0.9081
485 6VD 0.9081
486 SVD 0.9079
487 6ME 0.9079
488 60Q 0.9076
489 DOR 0.9075
490 1WG 0.9075
491 DHK 0.9075
492 3BZ 0.9074
493 KGK 0.9071
494 ET2 0.9071
495 0LH 0.9068
496 FHB 0.9067
497 BK9 0.9066
498 64K 0.9066
499 2AK 0.9065
500 ES4 0.9064
501 1P8 0.9064
502 9PY 0.9063
503 OXC 0.9062
504 MVN 0.9062
505 PM6 0.9060
506 L7T 0.9059
507 8GK 0.9059
508 INO 0.9059
509 93K 0.9059
510 QWW 0.9058
511 NNO 0.9058
512 SHA 0.9057
513 2MN 0.9056
514 C2Y 0.9054
515 5GU 0.9053
516 GTR 0.9052
517 3MB 0.9051
518 FUC 0.9050
519 JTH 0.9049
520 PA1 0.9049
521 286 0.9048
522 RHU 0.9047
523 4A3 0.9047
524 PEY 0.9047
525 JIF 0.9046
526 2KA 0.9045
527 MBD 0.9045
528 4M4 0.9045
529 SRO 0.9045
530 TH7 0.9043
531 34D 0.9040
532 4HM 0.9039
533 F1A 0.9039
534 D07 0.9039
535 JZ1 0.9038
536 F31 0.9038
537 ES2 0.9037
538 XM0 0.9037
539 6MH 0.9036
540 8WT 0.9036
541 H33 0.9035
542 8NY 0.9035
543 ABV 0.9033
544 FFP 0.9031
545 RMN 0.9031
546 2CQ 0.9030
547 X09 0.9030
548 OMD 0.9028
549 TLA 0.9027
550 2FG 0.9026
551 8H8 0.9024
552 2LY 0.9024
553 209 0.9024
554 K2T 0.9024
555 BDF 0.9022
556 TAR 0.9021
557 GMN 0.9021
558 5VM 0.9021
559 3FA 0.9020
560 5JL 0.9019
561 A13 0.9017
562 2LP 0.9017
563 IPM 0.9015
564 329 0.9015
565 YCP 0.9015
566 CLW 0.9013
567 VGD 0.9013
568 JFD 0.9012
569 3HM 0.9012
570 T6C 0.9012
571 N2I 0.9012
572 36R 0.9011
573 3CE 0.9010
574 AX7 0.9010
575 QXW 0.9010
576 O2A 0.9009
577 MHK 0.9009
578 UQ 0.9008
579 HA7 0.9006
580 F0J 0.9005
581 SYA 0.9004
582 SRT 0.9004
583 NVU 0.9003
584 4XR 0.9003
585 2CM 0.9002
586 CHB 0.9002
587 2MY 0.9001
588 GLF 0.9000
589 GCV 0.9000
590 NCD 0.9000
591 BHO 0.8999
592 FLM 0.8998
593 150 0.8998
594 FP1 0.8997
595 270 0.8997
596 R9S 0.8996
597 DGJ 0.8995
598 3MC 0.8994
599 G4D 0.8994
600 2C9 0.8993
601 8ZE 0.8993
602 XCZ 0.8992
603 MR1 0.8991
604 KP6 0.8989
605 FBG 0.8988
606 60P 0.8987
607 0FN 0.8987
608 AMG 0.8986
609 TM4 0.8984
610 7CZ 0.8984
611 ADA 0.8984
612 ARA 0.8983
613 NSP 0.8982
614 IF7 0.8980
615 IFP 0.8980
616 2HO 0.8980
617 MSN 0.8979
618 DEN 0.8979
619 GOX 0.8978
620 1GN 0.8977
621 6PC 0.8977
622 3NY 0.8977
623 FBW 0.8976
624 R8S 0.8975
625 SKM 0.8975
626 1LN 0.8974
627 C2A 0.8974
628 GTZ 0.8973
629 MS9 0.8971
630 8OZ 0.8967
631 GBD 0.8966
632 5DI 0.8964
633 GIV 0.8964
634 DMJ 0.8963
635 6LW 0.8962
636 P92 0.8962
637 PRZ 0.8961
638 RM4 0.8960
639 KOJ 0.8959
640 AIN 0.8959
641 6NT 0.8959
642 2YU 0.8956
643 RIP 0.8956
644 IHB 0.8956
645 JKZ 0.8955
646 0TR 0.8955
647 DUB 0.8954
648 FCB 0.8954
649 MFB 0.8953
650 FGZ 0.8953
651 M5N 0.8952
652 HKD 0.8952
653 8WO 0.8951
654 FCA 0.8950
655 261 0.8950
656 ENL 0.8949
657 0HO 0.8949
658 MT5 0.8949
659 OW4 0.8948
660 IND 0.8948
661 X0V 0.8947
662 7MU 0.8947
663 94B 0.8946
664 YIO 0.8946
665 OVM 0.8944
666 2ZM 0.8944
667 0JD 0.8944
668 PQK 0.8942
669 7MH 0.8942
670 9TW 0.8942
671 BZF 0.8942
672 M2H 0.8941
673 GIF 0.8941
674 AGK 0.8941
675 NEQ 0.8941
676 7ME 0.8939
677 TSS 0.8938
678 BZI 0.8937
679 MFU 0.8936
680 NIO 0.8936
681 RIB 0.8935
682 1P3 0.8935
683 URF 0.8934
684 ODO 0.8934
685 069 0.8933
686 GLT 0.8933
687 0F9 0.8932
688 4ZE 0.8931
689 92P 0.8931
690 GCW 0.8930
691 3MH 0.8928
692 5AC 0.8928
693 GXL 0.8926
694 GXY 0.8926
695 2AL 0.8924
696 12M 0.8923
697 TDR 0.8922
698 FDK 0.8922
699 MBG 0.8921
700 IDM 0.8921
701 4JP 0.8921
702 BEZ 0.8921
703 GAF 0.8920
704 6KX 0.8920
705 XYD 0.8919
706 CIT 0.8919
707 MWM 0.8917
708 BEN 0.8915
709 ZXD 0.8914
710 AW5 0.8914
711 2HU 0.8912
712 URQ 0.8911
713 FUF 0.8910
714 45L 0.8910
715 MMA 0.8910
716 7N0 0.8910
717 PX7 0.8910
718 ARW 0.8909
719 RNS 0.8908
720 JXN 0.8908
721 ZWZ 0.8908
722 N8P 0.8907
723 NBZ 0.8907
724 2FY 0.8906
725 X6X 0.8906
726 Q7A 0.8906
727 NCA 0.8903
728 34A 0.8901
729 AJV 0.8901
730 GTL 0.8901
731 ASC 0.8900
732 DNC 0.8899
733 RSF 0.8898
734 PHB 0.8898
735 2MP 0.8896
736 J9T 0.8896
737 1F1 0.8895
738 QIC 0.8895
739 NPO 0.8894
740 1X7 0.8892
741 TH0 0.8892
742 4FH 0.8891
743 2MI 0.8891
744 0HN 0.8889
745 JLZ 0.8889
746 ICP 0.8888
747 SF9 0.8888
748 VOH 0.8887
749 WBU 0.8887
750 S76 0.8884
751 2DR 0.8884
752 L3Q 0.8882
753 JZ4 0.8882
754 GVH 0.8881
755 5XC 0.8880
756 2A7 0.8878
757 94N 0.8876
758 0R1 0.8876
759 OAA 0.8876
760 F4Z 0.8874
761 0CT 0.8874
762 MPI 0.8873
763 LZ1 0.8873
764 ABI 0.8872
765 TC7 0.8871
766 PYD 0.8870
767 FSW 0.8870
768 R8A 0.8868
769 FUD 0.8867
770 6XI 0.8865
771 O7U 0.8865
772 2XX 0.8865
773 PZA 0.8865
774 6RQ 0.8865
775 43M 0.8862
776 XBZ 0.8862
777 4XV 0.8861
778 47J 0.8861
779 45C 0.8859
780 GLY PRO 0.8859
781 5UC 0.8857
782 MCT 0.8856
783 DQA 0.8855
784 TM7 0.8854
785 4JJ 0.8853
786 HT4 0.8852
787 6HQ 0.8850
788 9KH 0.8850
789 3GQ 0.8848
790 KDV 0.8846
791 PD2 0.8845
792 5NS 0.8844
793 DEE 0.8844
794 F9Y 0.8844
795 GV9 0.8844
796 SEJ 0.8843
797 BAM 0.8842
798 GAG 0.8841
799 H76 0.8840
800 T9G 0.8839
801 YTB 0.8839
802 OXQ 0.8838
803 SS2 0.8838
804 AUD 0.8834
805 A1U 0.8831
806 BSX 0.8830
807 3C2 0.8829
808 5NI 0.8827
809 3C1 0.8826
810 9RW 0.8823
811 QOS 0.8823
812 XX2 0.8822
813 SF6 0.8821
814 SYG 0.8820
815 1MC 0.8819
816 2AC 0.8818
817 II6 0.8818
818 PRY 0.8817
819 FA3 0.8816
820 3A9 0.8815
821 4JO 0.8814
822 PAF 0.8810
823 6NI 0.8809
824 CRN 0.8808
825 2A9 0.8808
826 RSO 0.8807
827 NIZ 0.8807
828 67X 0.8806
829 BNS 0.8805
830 MT8 0.8805
831 4HO 0.8804
832 GSY 0.8804
833 JA8 0.8803
834 1U1 0.8802
835 FA1 0.8802
836 TBP 0.8801
837 LRH 0.8800
838 4XS 0.8796
839 LFR 0.8794
840 PBC 0.8794
841 MZG 0.8794
842 275 0.8793
843 H62 0.8793
844 FX1 0.8791
845 7D2 0.8791
846 LNR 0.8788
847 VGL 0.8788
848 HQ9 0.8787
849 QSH 0.8787
850 FBU 0.8785
851 BR9 0.8785
852 XIY 0.8784
853 Q71 0.8784
854 FH2 0.8783
855 7WR 0.8783
856 SMN 0.8782
857 5JC 0.8781
858 GJP 0.8780
859 4SX 0.8778
860 15N 0.8778
861 1AL 0.8773
862 DFU 0.8771
863 OVP 0.8771
864 20J 0.8769
865 JU2 0.8768
866 2BG 0.8764
867 PZI 0.8763
868 1HN 0.8763
869 293 0.8762
870 XYL 0.8761
871 RB5 0.8761
872 LZ2 0.8761
873 AC0 0.8755
874 M3S 0.8755
875 JAW 0.8755
876 TSR 0.8754
877 ISZ 0.8754
878 4RU 0.8753
879 MWJ 0.8752
880 ONR 0.8752
881 GZQ 0.8752
882 IAC 0.8751
883 JZ2 0.8749
884 L99 0.8748
885 6JN 0.8746
886 QSC 0.8745
887 UFV 0.8745
888 LDP 0.8743
889 BCU 0.8740
890 TFU 0.8740
891 EDR 0.8739
892 TLD 0.8739
893 6UA 0.8739
894 5MH 0.8739
895 FLC 0.8738
896 EPR 0.8734
897 JXW 0.8734
898 52C 0.8734
899 JZ9 0.8734
900 1KP 0.8733
901 CWJ 0.8733
902 4P0 0.8732
903 HX3 0.8731
904 3BU 0.8728
905 EV0 0.8726
906 HA5 0.8725
907 AC6 0.8724
908 NAG 0.8724
909 ZZ8 0.8723
910 BR8 0.8722
911 OHP 0.8722
912 4CL 0.8719
913 DYA 0.8715
914 CFI 0.8713
915 B5D 0.8712
916 RCO 0.8711
917 PMB 0.8711
918 NLA 0.8711
919 URA 0.8709
920 0FK 0.8708
921 DX3 0.8704
922 MJ2 0.8703
923 717 0.8702
924 SR1 0.8702
925 H6B 0.8701
926 4AV 0.8701
927 1M2 0.8699
928 6R8 0.8698
929 FEH 0.8696
930 ZZ3 0.8696
931 JB8 0.8695
932 35C 0.8695
933 JDN 0.8694
934 GLO 0.8693
935 CRS 0.8692
936 BRV 0.8692
937 Y8I 0.8691
938 27Y 0.8691
939 13X 0.8691
940 CGB 0.8690
941 NGO 0.8688
942 FB2 0.8688
943 7CT 0.8687
944 TEO 0.8686
945 HBA 0.8686
946 AS3 0.8684
947 DZX 0.8684
948 SS1 0.8684
949 39U 0.8683
950 1XX 0.8680
951 57O 0.8677
952 4PW 0.8670
953 3CH 0.8669
954 N2Z 0.8669
955 N3W 0.8668
956 DA4 0.8667
957 KPL 0.8667
958 2GS 0.8667
959 5WU 0.8666
960 LG3 0.8666
961 26D 0.8666
962 ASP 0.8665
963 AAS 0.8663
964 HGQ 0.8662
965 JXZ 0.8659
966 APG 0.8656
967 CYT 0.8656
968 C9E 0.8655
969 IUR 0.8654
970 MXN 0.8654
971 BZJ 0.8654
972 Q02 0.8653
973 GYP 0.8650
974 KJ5 0.8650
975 AX2 0.8650
976 5AN 0.8646
977 42J 0.8645
978 FP2 0.8644
979 TSU 0.8642
980 KDF 0.8641
981 WOT 0.8640
982 AY4 0.8640
983 3AL 0.8640
984 6OT 0.8639
985 FCR 0.8638
986 LG5 0.8636
987 CIZ 0.8636
988 8G0 0.8636
989 PSV 0.8635
990 MIG 0.8635
991 FHN 0.8634
992 L89 0.8632
993 5ZE 0.8628
994 BEW 0.8625
995 MB1 0.8622
996 NGT 0.8619
997 92Z 0.8619
998 ASN 0.8619
999 3AY 0.8618
1000 BVF 0.8618
1001 FQI 0.8612
1002 SAN 0.8611
1003 M58 0.8609
1004 WDL 0.8609
1005 ABE 0.8607
1006 DHS 0.8606
1007 ERH 0.8606
1008 PEZ 0.8606
1009 QY9 0.8606
1010 CBF 0.8605
1011 7MX 0.8598
1012 VXX 0.8597
1013 JND 0.8593
1014 V6F 0.8591
1015 EOL 0.8591
1016 8GF 0.8590
1017 9ZE 0.8590
1018 4VP 0.8588
1019 EMZ 0.8585
1020 OXE 0.8585
1021 95Z 0.8584
1022 CAQ 0.8584
1023 1AB 0.8584
1024 2AF 0.8582
1025 2CH 0.8580
1026 LAO 0.8577
1027 1AN 0.8574
1028 6X8 0.8573
1029 DNA 0.8566
1030 JZ0 0.8564
1031 TMZ 0.8564
1032 AEH 0.8561
1033 N7P 0.8557
1034 P84 0.8557
1035 8LG 0.8556
1036 CIG 0.8552
1037 2ZX 0.8549
1038 4H2 0.8544
1039 HHT 0.8541
1040 HTS 0.8541
1041 I1E 0.8541
1042 ZZZ 0.8531
1043 HBX 0.8529
1044 B3R 0.8523
1045 FIX 0.8521
1046 TMT 0.8516
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
APoc FAQ
Feedback