Receptor
PDB id Resolution Class Description Source Keywords
4ZI0 1.8 Å EC: 3.1.-.- ENDONUCLEASE INHIBITOR BOUND TO INFLUENZA STRAIN H1N1 POLYME ACIDIC SUBUNIT N-TERMINAL REGION WITHOUT A CHELATION TO THEI ONS IN THE ACTIVE SITE INFLUENZA A VIRUS (STRAIN A/PUERTO RICH1N1) HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: TWO DISTINCTIVE BINDING MODES OF ENDONUCLEASE INHIB THE N-TERMINAL REGION OF INFLUENZA VIRUS POLYMERASE SUBUNIT BIOCHEMISTRY V. 55 2646 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:301;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
4P9 A:304;
Valid;
none;
submit data
278.691 C13 H11 Cl N2 O3 c1cc(...
MN A:302;
A:303;
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: 4P9; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 4P9 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 4P9; Similar ligands found: 394
No: Ligand Similarity coefficient
1 4KN 0.9568
2 HCC 0.9514
3 F91 0.9335
4 BUN 0.9315
5 G50 0.9302
6 245 0.9284
7 IPJ 0.9257
8 9RK 0.9227
9 T5J 0.9219
10 X8W 0.9212
11 TYP 0.9185
12 BGK 0.9175
13 RF2 0.9166
14 STL 0.9165
15 OA5 0.9163
16 F5N 0.9159
17 H0V 0.9142
18 00G 0.9137
19 797 0.9134
20 DX6 0.9133
21 68C 0.9126
22 QEI 0.9123
23 1R5 0.9123
24 E92 0.9122
25 28C 0.9122
26 E98 0.9121
27 EMU 0.9112
28 0MB 0.9109
29 A9E 0.9105
30 S45 0.9105
31 SCE 0.9104
32 ESJ 0.9086
33 8XY 0.9082
34 QRN 0.9081
35 LJ5 0.9079
36 RE2 0.9075
37 0QX 0.9072
38 IEE 0.9065
39 4B8 0.9057
40 20P 0.9057
41 FZ3 0.9053
42 1UA 0.9050
43 5V3 0.9042
44 G27 0.9042
45 E8Z 0.9040
46 F08 0.9039
47 87F 0.9036
48 4VC 0.9031
49 NAR 0.9030
50 W2E 0.9029
51 BZM 0.9025
52 97K 0.9023
53 D26 0.9020
54 D64 0.9019
55 246 0.9018
56 G2V 0.9010
57 873 0.9006
58 HUL 0.9006
59 1HX 0.9005
60 BXS 0.8999
61 7G2 0.8999
62 4YE 0.8992
63 A0R 0.8990
64 39R 0.8989
65 SJR 0.8986
66 WDU 0.8986
67 CWP 0.8985
68 1HP 0.8985
69 9EG 0.8984
70 6FX 0.8982
71 0XR 0.8980
72 1Q2 0.8976
73 OUG 0.8976
74 MQR 0.8972
75 JVB 0.8971
76 J90 0.8970
77 A63 0.8961
78 L02 0.8955
79 KTV 0.8952
80 BVB 0.8952
81 IW3 0.8950
82 1V0 0.8950
83 EXP 0.8944
84 JP8 0.8943
85 1UR 0.8941
86 TPM 0.8941
87 BSU 0.8940
88 BAI 0.8939
89 IW5 0.8939
90 3WL 0.8935
91 C0V 0.8934
92 OSY 0.8933
93 4JV 0.8932
94 3TI 0.8932
95 1V8 0.8932
96 1UT 0.8931
97 OLU 0.8931
98 S0B 0.8928
99 397 0.8927
100 NVS 0.8927
101 MBT 0.8918
102 4RG 0.8912
103 IW4 0.8911
104 JPW 0.8911
105 PIT 0.8911
106 L12 0.8908
107 4AJ 0.8907
108 AGI 0.8901
109 A64 0.8900
110 5R9 0.8899
111 M62 0.8899
112 7FZ 0.8899
113 08C 0.8899
114 ZTW 0.8898
115 F41 0.8897
116 MF5 0.8895
117 F36 0.8892
118 GEN 0.8889
119 PZX 0.8888
120 0OM 0.8885
121 9M9 0.8883
122 OUA 0.8883
123 KTM 0.8882
124 4BE 0.8880
125 HPX 0.8880
126 2OX 0.8880
127 NU3 0.8879
128 5RU 0.8877
129 EUB 0.8877
130 JF5 0.8870
131 BXB 0.8867
132 MNI 0.8865
133 1UZ 0.8865
134 J3B 0.8865
135 F6B 0.8864
136 41L 0.8862
137 6JP 0.8858
138 QUG 0.8857
139 9ME 0.8856
140 IOC 0.8855
141 UAY 0.8854
142 AD6 0.8853
143 35K 0.8853
144 EEY 0.8852
145 8KW 0.8852
146 KWK 0.8852
147 J2W 0.8850
148 IDZ 0.8848
149 PIQ 0.8847
150 338 0.8841
151 AO 0.8840
152 JP5 0.8839
153 8M5 0.8839
154 CIU 0.8838
155 6BK 0.8837
156 7ZO 0.8834
157 IJ4 0.8833
158 K0G 0.8833
159 Q92 0.8833
160 AP6 0.8832
161 DFL 0.8831
162 JCQ 0.8830
163 1Q1 0.8829
164 9MK 0.8828
165 801 0.8827
166 5WW 0.8826
167 7PS 0.8826
168 122 0.8825
169 BMZ 0.8825
170 CR4 0.8825
171 MT6 0.8823
172 NZ4 0.8823
173 TVC 0.8823
174 20D 0.8820
175 MRE 0.8819
176 5ET 0.8819
177 MHB 0.8819
178 LU2 0.8819
179 UV4 0.8815
180 LJ2 0.8815
181 802 0.8814
182 LJ1 0.8814
183 D25 0.8813
184 M7O 0.8812
185 E9L 0.8811
186 1V1 0.8810
187 06R 0.8810
188 BDE 0.8809
189 E6Q 0.8807
190 27F 0.8805
191 WDW 0.8803
192 40N 0.8800
193 QC1 0.8799
194 GYZ 0.8799
195 CMG 0.8797
196 0NJ 0.8795
197 A73 0.8795
198 87C 0.8792
199 EBB 0.8792
200 0RU 0.8791
201 5HG 0.8791
202 VXP 0.8789
203 29F 0.8789
204 5ZM 0.8789
205 28E 0.8789
206 MR4 0.8788
207 M16 0.8787
208 N18 0.8786
209 9W8 0.8783
210 A9B 0.8782
211 DTB 0.8779
212 SNJ 0.8779
213 FO2 0.8778
214 QUE 0.8778
215 JV5 0.8776
216 O53 0.8775
217 Q86 0.8774
218 LI4 0.8774
219 VXM 0.8773
220 12R 0.8770
221 Q7U 0.8769
222 0DF 0.8768
223 272 0.8767
224 KU1 0.8767
225 KWV 0.8766
226 ZX8 0.8763
227 4TX 0.8761
228 HH6 0.8760
229 4YF 0.8760
230 4AU 0.8758
231 135 0.8757
232 4CN 0.8757
233 80R 0.8756
234 T21 0.8756
235 GN5 0.8755
236 Z3R 0.8753
237 O9T 0.8752
238 25F 0.8752
239 2QU 0.8752
240 6DQ 0.8751
241 CMP 0.8750
242 J2Q 0.8750
243 WRB 0.8749
244 124 0.8749
245 ZX7 0.8748
246 AX6 0.8748
247 3JC 0.8748
248 0S0 0.8745
249 KMP 0.8742
250 7EH 0.8738
251 4UZ 0.8737
252 GJG 0.8736
253 SZ5 0.8736
254 47V 0.8736
255 CMZ 0.8735
256 JVD 0.8732
257 120 0.8731
258 EES 0.8731
259 SIJ 0.8729
260 3F4 0.8729
261 2UV 0.8729
262 15I 0.8729
263 83D 0.8729
264 PT1 0.8728
265 IY5 0.8727
266 GJW 0.8725
267 CWE 0.8720
268 KXN 0.8720
269 9X0 0.8719
270 PHQ DTH 0.8718
271 ZEA 0.8717
272 U55 0.8717
273 IYX 0.8717
274 TFX 0.8717
275 F2B 0.8709
276 INW 0.8709
277 5VU 0.8708
278 OSJ 0.8707
279 IPL 0.8707
280 3K1 0.8707
281 WG8 0.8706
282 MR5 0.8706
283 16J 0.8706
284 2L1 0.8704
285 6H2 0.8702
286 CX5 0.8701
287 0UL 0.8701
288 1SX 0.8700
289 D8B 0.8698
290 LVB 0.8697
291 BRN 0.8697
292 FHV 0.8693
293 INV 0.8691
294 CDJ 0.8689
295 DE7 0.8688
296 YH4 0.8687
297 5WK 0.8687
298 100 0.8687
299 91F 0.8686
300 21X 0.8686
301 YH1 0.8684
302 U13 0.8684
303 1XS 0.8683
304 M3W 0.8683
305 RDV 0.8682
306 31F 0.8682
307 RGK 0.8682
308 BFS 0.8680
309 3G3 0.8680
310 B5A 0.8677
311 0RB 0.8677
312 SLX 0.8674
313 38E 0.8674
314 J2N 0.8670
315 J8D 0.8669
316 VT3 0.8669
317 8E3 0.8666
318 XAV 0.8662
319 AX5 0.8662
320 FY8 0.8661
321 SQM 0.8661
322 K3T 0.8660
323 GW9 0.8660
324 WA1 0.8659
325 HWB 0.8658
326 MKN 0.8654
327 58Z 0.8653
328 334 0.8652
329 AX1 0.8651
330 IOE 0.8651
331 FSB 0.8651
332 SZA 0.8650
333 0VN 0.8649
334 RE4 0.8649
335 2JX 0.8648
336 XYS XYS 0.8647
337 MXM 0.8646
338 DZ1 0.8645
339 XZ1 0.8644
340 1V4 0.8643
341 TKT 0.8642
342 UN9 0.8639
343 2ZI 0.8639
344 907 0.8639
345 MYU 0.8636
346 17W 0.8632
347 KWD 0.8629
348 JOQ 0.8629
349 78H 0.8625
350 BMU 0.8622
351 VHD 0.8620
352 57D 0.8620
353 S0D 0.8617
354 43G 0.8613
355 BER 0.8611
356 RNP 0.8611
357 XYP XYP 0.8610
358 D2S 0.8610
359 D9Q 0.8609
360 3BE 0.8607
361 6XR 0.8606
362 FFB 0.8605
363 LZ3 0.8601
364 JON 0.8600
365 HPK 0.8592
366 7G0 0.8592
367 F18 0.8590
368 P4T 0.8585
369 LZ7 0.8581
370 5OR 0.8581
371 LZ4 0.8580
372 W8L 0.8580
373 5ER 0.8580
374 F70 0.8579
375 H2W 0.8575
376 90G 0.8574
377 6QT 0.8573
378 2M7 0.8573
379 DX8 0.8570
380 EST 0.8564
381 2P3 0.8562
382 JL7 0.8559
383 041 0.8557
384 XYP XIM 0.8556
385 STV 0.8554
386 ZUF 0.8553
387 QRP 0.8552
388 ALJ 0.8550
389 DX2 0.8545
390 H32 0.8541
391 A05 0.8540
392 U14 0.8526
393 8E6 0.8518
394 36K 0.8515
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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