Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:202;
A:201;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
ARG GLN SER GLU ARG GLY GLU A:192;
Invalid;
none;
submit data
n/a n/a
EDO A:205;
A:204;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
HKD A:203;
Valid;
none;
ic50 = 8 nM
196.157 C9 H8 O5 CC1=C...
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: HKD; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HKD 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: HKD; Similar ligands found: 735
No: Ligand Similarity coefficient
1 JTH 0.9563
2 EVA 0.9481
3 BGC 0.9457
4 G3F 0.9436
5 GCS 0.9432
6 5RO 0.9417
7 0FK 0.9404
8 8CM 0.9365
9 5NE 0.9343
10 DNA 0.9342
11 TOF 0.9340
12 GLC 0.9326
13 0P6 0.9326
14 APZ 0.9323
15 BDP 0.9322
16 GCU 0.9321
17 PH2 0.9319
18 0N7 0.9317
19 UFO 0.9305
20 KUF 0.9300
21 2FQ 0.9295
22 QX4 0.9295
23 8S0 0.9295
24 AJV 0.9290
25 LGC 0.9284
26 MUA 0.9282
27 GCB 0.9279
28 HQD 0.9278
29 92K 0.9275
30 2EC 0.9268
31 B62 0.9262
32 BEA 0.9260
33 N8Y 0.9257
34 L7T 0.9255
35 H5B 0.9251
36 CWS 0.9249
37 AZ9 0.9242
38 XHP 0.9238
39 8XQ 0.9234
40 HHR 0.9232
41 KGK 0.9229
42 NAG 0.9228
43 DQU 0.9227
44 44V 0.9222
45 QBK 0.9218
46 8W9 0.9216
47 4RU 0.9214
48 39O 0.9212
49 GAL 0.9212
50 3MG 0.9211
51 DPZ 0.9208
52 23J 0.9205
53 GJP 0.9201
54 44W 0.9198
55 5NS 0.9193
56 KT7 0.9191
57 URC 0.9191
58 TTY 0.9186
59 PXL 0.9183
60 OTW 0.9180
61 DIN 0.9180
62 0FO 0.9172
63 209 0.9171
64 MAQ 0.9171
65 OA3 0.9170
66 PYQ 0.9169
67 E7Z 0.9169
68 CTS 0.9167
69 6ME 0.9167
70 1HN 0.9167
71 KJY 0.9165
72 2AK 0.9151
73 LKA 0.9150
74 4ME 0.9148
75 3Z8 0.9144
76 A7W 0.9143
77 B60 0.9142
78 2KA 0.9138
79 8HC 0.9137
80 K3Q 0.9136
81 K5W 0.9134
82 LI6 0.9134
83 ZYR 0.9131
84 4AA 0.9124
85 BMA 0.9124
86 BNT 0.9119
87 9KT 0.9118
88 DNF 0.9114
89 JXN 0.9111
90 SYA 0.9109
91 GDL 0.9107
92 32X 0.9107
93 KJH 0.9106
94 MVN 0.9105
95 27B 0.9105
96 37T 0.9103
97 R9Y 0.9101
98 NDG 0.9100
99 091 0.9098
100 12Q 0.9098
101 UFV 0.9094
102 5WY 0.9092
103 TTL 0.9091
104 5QX 0.9088
105 H33 0.9087
106 1KP 0.9087
107 2ZQ 0.9086
108 5RN 0.9082
109 4TU 0.9081
110 15N 0.9081
111 MRW 0.9078
112 9ZE 0.9078
113 CLZ 0.9076
114 NDM 0.9074
115 XAZ 0.9072
116 IV2 0.9072
117 AJ2 0.9068
118 4XV 0.9067
119 FDR 0.9067
120 SHG 0.9062
121 7W1 0.9058
122 5JQ 0.9056
123 3RI 0.9055
124 PFB 0.9054
125 HQT 0.9050
126 KFH 0.9048
127 M1Q 0.9047
128 GNM 0.9042
129 ICO 0.9036
130 226 0.9035
131 FLV 0.9035
132 OCH 0.9035
133 ADZ 0.9035
134 NOJ 0.9035
135 ZWZ 0.9032
136 HNQ 0.9030
137 ROI 0.9030
138 TEP 0.9030
139 COU 0.9029
140 4Z4 0.9029
141 9PY 0.9028
142 B57 0.9027
143 2H5 0.9027
144 GXY 0.9026
145 X05 0.9026
146 8ZE 0.9025
147 ZZZ 0.9024
148 8TX 0.9023
149 ALL 0.9022
150 JND 0.9021
151 680 0.9018
152 3HA 0.9016
153 8GK 0.9015
154 7B3 0.9015
155 5NI 0.9015
156 PRF 0.9014
157 VK3 0.9014
158 M2K 0.9011
159 DX3 0.9010
160 NGA 0.9010
161 EGR 0.9009
162 4HC 0.9009
163 LZ2 0.9009
164 5WU 0.9009
165 NQ 0.9009
166 X8D 0.9007
167 SYV 0.9007
168 FOT 0.9006
169 SKA 0.9006
170 PE0 0.9006
171 EJZ 0.9005
172 BTY 0.9004
173 2D0 0.9003
174 N2I 0.9001
175 CFF 0.9000
176 GDE 0.8999
177 IJZ 0.8998
178 5QY 0.8998
179 Q77 0.8997
180 I6G 0.8994
181 86J 0.8994
182 7B4 0.8993
183 0JD 0.8992
184 3IT 0.8990
185 DRL 0.8987
186 JXZ 0.8986
187 7ME 0.8986
188 MAN 0.8985
189 AQO 0.8982
190 03V 0.8982
191 8NX 0.8981
192 RXA 0.8979
193 B55 0.8978
194 6NI 0.8977
195 173 0.8977
196 75K 0.8973
197 HA5 0.8973
198 M6N 0.8972
199 UAN 0.8972
200 4XS 0.8972
201 Q71 0.8971
202 Q24 0.8971
203 DBH 0.8970
204 JB5 0.8968
205 NTZ 0.8968
206 JG8 0.8967
207 J9W 0.8967
208 GOG 0.8967
209 ES5 0.8966
210 G12 0.8966
211 G2F 0.8966
212 4KL 0.8964
213 M5K 0.8964
214 Q6T 0.8964
215 2O6 0.8964
216 DOB 0.8963
217 SOR 0.8962
218 0XT 0.8961
219 GTQ 0.8961
220 9MG 0.8960
221 NBG 0.8960
222 R8V 0.8960
223 H42 0.8959
224 24W 0.8959
225 UNC 0.8958
226 2K8 0.8957
227 4FS 0.8956
228 ZVO 0.8956
229 EXD 0.8956
230 NVU 0.8955
231 2AQ 0.8955
232 UEG 0.8954
233 8OZ 0.8953
234 G5V 0.8952
235 3PF 0.8948
236 3R6 0.8946
237 D48 0.8944
238 MEW 0.8942
239 N3W 0.8941
240 G3E 0.8938
241 SG2 0.8938
242 SE2 0.8938
243 V1T 0.8937
244 AZ8 0.8935
245 WOO 0.8934
246 1U6 0.8934
247 7VS 0.8931
248 SXS 0.8930
249 JXW 0.8929
250 FA0 0.8928
251 Q7A 0.8927
252 1X7 0.8926
253 HJP 0.8926
254 D07 0.8925
255 JUG 0.8925
256 NID 0.8924
257 KJ5 0.8922
258 AY4 0.8920
259 GCW 0.8920
260 61M 0.8920
261 J5I 0.8919
262 AKH 0.8918
263 6BL 0.8918
264 2HQ 0.8915
265 GOX 0.8915
266 3DO 0.8914
267 1SQ 0.8914
268 3WA 0.8913
269 42C 0.8910
270 GM7 0.8909
271 MIG 0.8909
272 6CS 0.8908
273 1F1 0.8908
274 MWP 0.8907
275 A13 0.8906
276 68A 0.8906
277 QPR 0.8906
278 4NC 0.8906
279 PXM 0.8905
280 HXX 0.8904
281 4FH 0.8904
282 LT2 0.8903
283 KKN 0.8903
284 7ZE 0.8903
285 BPU 0.8902
286 EKZ 0.8902
287 BHQ 0.8901
288 DEE 0.8900
289 5RG 0.8900
290 BHA 0.8900
291 ES0 0.8898
292 1NP 0.8898
293 97T 0.8898
294 GTR 0.8898
295 5WV 0.8897
296 I3A 0.8897
297 IFL 0.8897
298 5M0 0.8896
299 SRO 0.8895
300 KBG 0.8894
301 1LQ 0.8894
302 4MU 0.8893
303 DHQ 0.8891
304 6RQ 0.8890
305 E35 0.8890
306 54G 0.8889
307 ES7 0.8889
308 XQ0 0.8889
309 12T 0.8888
310 20J 0.8887
311 BK9 0.8886
312 7HQ 0.8885
313 82I 0.8884
314 4JQ 0.8884
315 4YS 0.8883
316 DHK 0.8883
317 TFU 0.8882
318 KIB 0.8882
319 CWM 0.8882
320 5NU 0.8881
321 4SX 0.8880
322 Q88 0.8880
323 HLZ 0.8880
324 ISN 0.8877
325 57O 0.8877
326 HHS 0.8876
327 SKM 0.8876
328 MR1 0.8874
329 92P 0.8874
330 64C 0.8873
331 7I2 0.8873
332 HQY 0.8872
333 PQ0 0.8870
334 LDR 0.8870
335 6VD 0.8870
336 1P7 0.8869
337 ES1 0.8868
338 GCV 0.8868
339 FDB 0.8867
340 5MK 0.8865
341 PEY 0.8865
342 MHK 0.8863
343 JF1 0.8862
344 5JL 0.8861
345 5SG 0.8861
346 TWO 0.8859
347 A29 0.8859
348 5Q0 0.8858
349 ESI 0.8858
350 K32 0.8858
351 6X9 0.8857
352 YQA 0.8856
353 C2U 0.8856
354 4M4 0.8856
355 EUG 0.8856
356 LNR 0.8854
357 FGZ 0.8854
358 4M0 0.8854
359 9R5 0.8851
360 2LY 0.8851
361 G1O 0.8851
362 5OB 0.8850
363 X0V 0.8850
364 8WT 0.8850
365 VOH 0.8850
366 7W4 0.8849
367 J9Q 0.8849
368 3NY 0.8848
369 LOG 0.8848
370 EA1 0.8844
371 VNL 0.8844
372 NGT 0.8843
373 5IQ 0.8843
374 NLA 0.8843
375 MQN 0.8842
376 E7S 0.8842
377 JBH 0.8842
378 JBK 0.8842
379 JPZ 0.8842
380 HHA 0.8841
381 3F0 0.8841
382 GLT 0.8840
383 MO8 0.8840
384 JF2 0.8840
385 KIA 0.8839
386 6NT 0.8838
387 INE 0.8837
388 BA5 0.8837
389 7WR 0.8837
390 KJU 0.8836
391 5CU 0.8836
392 3M0 0.8836
393 8IG 0.8835
394 O72 0.8835
395 9AP 0.8834
396 FE DB1 0.8834
397 C2Y 0.8834
398 0W8 0.8833
399 495 0.8833
400 JU2 0.8832
401 7VJ 0.8832
402 QAS 0.8831
403 APS 0.8831
404 1LM 0.8831
405 QAT 0.8829
406 B53 0.8829
407 QSH 0.8829
408 EOL 0.8827
409 15E 0.8827
410 GJS 0.8824
411 F1A 0.8824
412 18N 0.8822
413 TIY 0.8821
414 52C 0.8819
415 D3M 0.8819
416 ASC 0.8817
417 DBJ 0.8817
418 AX3 0.8817
419 7NI 0.8816
420 6M4 0.8814
421 JBQ 0.8814
422 KMY 0.8814
423 GZ8 0.8811
424 JYB 0.8811
425 NDH 0.8810
426 0HO 0.8810
427 ADA 0.8809
428 M1H 0.8808
429 B5D 0.8807
430 V55 0.8806
431 N5J 0.8806
432 DMD 0.8805
433 46M 0.8805
434 5XC 0.8804
435 LAO 0.8804
436 MAJ 0.8803
437 DNC 0.8803
438 MAG 0.8803
439 42A 0.8802
440 4AN 0.8801
441 ODO 0.8801
442 537 0.8800
443 6E8 0.8797
444 0TU 0.8796
445 67N 0.8796
446 0HN 0.8795
447 CTL 0.8795
448 8WO 0.8794
449 FBU 0.8793
450 AJY 0.8792
451 28N 0.8792
452 TGX 0.8791
453 3ID 0.8788
454 GZL 0.8788
455 KBB 0.8787
456 E1T 0.8787
457 6R8 0.8784
458 39A 0.8784
459 ARP 0.8784
460 2A9 0.8782
461 3GQ 0.8780
462 CBF 0.8780
463 IFP 0.8780
464 ORO 0.8780
465 J9T 0.8777
466 4XH 0.8776
467 LZM 0.8774
468 5WX 0.8774
469 4YO 0.8773
470 ICB 0.8769
471 2ZM 0.8769
472 0F9 0.8769
473 EMZ 0.8769
474 MT0 0.8769
475 GLA 0.8767
476 4HM 0.8766
477 M0Q 0.8764
478 PHH 0.8764
479 NNO 0.8764
480 TSR 0.8763
481 GUN 0.8763
482 DHB 0.8762
483 ONR 0.8762
484 S0G 0.8761
485 OXC 0.8761
486 KTW 0.8760
487 NOY 0.8760
488 ASO 0.8760
489 MJ2 0.8759
490 344 0.8759
491 2FG 0.8757
492 1GN 0.8757
493 VXX 0.8756
494 3FH 0.8756
495 FBT 0.8755
496 AA 0.8754
497 XDE 0.8754
498 F6P 0.8752
499 M1A 0.8752
500 2BG 0.8751
501 HH8 0.8750
502 PRZ 0.8750
503 NIZ 0.8749
504 RM1 0.8749
505 EN1 0.8749
506 M0W 0.8749
507 HA7 0.8748
508 BZ3 0.8746
509 AZA 0.8745
510 F0J 0.8745
511 9FL 0.8745
512 I4D 0.8743
513 CH9 0.8743
514 MBG 0.8741
515 2CZ 0.8739
516 RZH 0.8739
517 GHM 0.8739
518 KYA 0.8737
519 4JT 0.8736
520 HZQ 0.8734
521 UQ 0.8734
522 X09 0.8733
523 289 0.8733
524 DBX 0.8733
525 AP4 0.8733
526 IAC 0.8732
527 2AL 0.8732
528 IGA 0.8731
529 AMG 0.8730
530 SWA 0.8729
531 12B 0.8728
532 9DG 0.8727
533 FBB 0.8726
534 4A3 0.8726
535 3R4 0.8725
536 RMN 0.8725
537 W8G 0.8725
538 1IT 0.8724
539 ONZ 0.8723
540 R6T 0.8723
541 F31 0.8723
542 XM5 0.8722
543 30G 0.8721
544 06B 0.8720
545 49O 0.8720
546 0W1 0.8719
547 MS9 0.8719
548 K22 0.8719
549 2HU 0.8718
550 F2W 0.8716
551 HBO 0.8714
552 JR2 0.8711
553 9TZ 0.8710
554 1QP 0.8706
555 CN0 0.8706
556 8MO 0.8705
557 94W 0.8704
558 DHY 0.8703
559 NGO 0.8703
560 5TY 0.8703
561 ANF 0.8702
562 5B1 0.8701
563 X6X 0.8700
564 4VS 0.8700
565 1SS 0.8699
566 9FE 0.8698
567 0LH 0.8698
568 34D 0.8698
569 069 0.8697
570 GT0 0.8694
571 FDK 0.8694
572 BZJ 0.8693
573 6QF 0.8692
574 IBM 0.8692
575 SVD 0.8691
576 5GU 0.8690
577 0FN 0.8690
578 KTA 0.8690
579 MT8 0.8688
580 3A9 0.8687
581 DIU 0.8687
582 TQU 0.8686
583 F69 0.8686
584 THA 0.8685
585 9CA 0.8685
586 HTP 0.8685
587 TSS 0.8684
588 AZG 0.8682
589 94B 0.8680
590 2HO 0.8678
591 G6D 0.8677
592 CCV 0.8677
593 7MU 0.8677
594 GSY 0.8677
595 K2T 0.8677
596 X0W 0.8677
597 XIY 0.8676
598 25W 0.8675
599 AW5 0.8674
600 ET2 0.8674
601 MVL 0.8674
602 DX4 0.8673
603 GIV 0.8673
604 F9Y 0.8672
605 CEG 0.8671
606 MYJ 0.8670
607 IPB 0.8669
608 6DP 0.8668
609 3QV 0.8668
610 6FZ 0.8668
611 INO 0.8667
612 TT4 0.8666
613 PHE 0.8666
614 ABI 0.8665
615 PDC 0.8664
616 XX2 0.8664
617 N2Z 0.8664
618 DPT 0.8663
619 H6B 0.8663
620 67X 0.8661
621 6XI 0.8660
622 5CL 0.8660
623 FSW 0.8659
624 QWN 0.8658
625 F5B 0.8658
626 PQK 0.8658
627 Q02 0.8657
628 D1X 0.8657
629 36E 0.8655
630 I7B 0.8654
631 JP2 0.8653
632 PX7 0.8652
633 7MX 0.8650
634 SHA 0.8650
635 290 0.8649
636 GIM 0.8649
637 N1E 0.8649
638 1XN 0.8648
639 FHB 0.8648
640 329 0.8647
641 HIS 0.8646
642 93K 0.8643
643 ABV 0.8642
644 EYK 0.8642
645 6J9 0.8640
646 G1P 0.8640
647 9UL 0.8640
648 YIO 0.8639
649 YSO 0.8639
650 EV0 0.8639
651 P9P 0.8639
652 LT8 0.8637
653 SOE 0.8637
654 FBG 0.8637
655 DOR 0.8637
656 149 0.8636
657 JKZ 0.8634
658 2F6 0.8634
659 1M2 0.8633
660 FH2 0.8631
661 YH7 0.8630
662 CB1 0.8629
663 AEZ 0.8629
664 BPY 0.8628
665 LCN 0.8626
666 GXL 0.8624
667 948 0.8624
668 AN3 0.8623
669 2D3 0.8623
670 BZX 0.8622
671 CWJ 0.8622
672 XQK 0.8621
673 CFP 0.8620
674 TBS 0.8620
675 TH7 0.8620
676 J6W 0.8620
677 RPQ 0.8620
678 141 0.8620
679 XCZ 0.8620
680 ES2 0.8618
681 LDP 0.8616
682 JAW 0.8616
683 LYL 0.8616
684 XXG 0.8616
685 3DM 0.8612
686 PFL 0.8611
687 3TJ 0.8610
688 5OF 0.8610
689 ISZ 0.8610
690 3HM 0.8609
691 14O 0.8609
692 HQJ 0.8607
693 CFI 0.8605
694 LSA 0.8603
695 PA1 0.8603
696 I3C 0.8603
697 CLW 0.8601
698 BSP 0.8600
699 1P8 0.8599
700 K17 0.8599
701 6M9 0.8597
702 DQA 0.8592
703 ZB1 0.8592
704 ANC 0.8589
705 XAN 0.8588
706 BZ2 0.8586
707 M4E 0.8586
708 FA3 0.8585
709 9TW 0.8582
710 5VJ 0.8582
711 BRV 0.8581
712 M1E 0.8580
713 EXO 0.8580
714 6AP 0.8580
715 EVF 0.8579
716 XFE 0.8576
717 MXX 0.8575
718 GLF 0.8574
719 CHB 0.8573
720 A2F 0.8573
721 LIP 0.8572
722 HBI 0.8562
723 KIF 0.8559
724 N0Z 0.8555
725 BOA 0.8550
726 GRE 0.8549
727 X0U 0.8548
728 1WG 0.8547
729 3HB 0.8546
730 HMH 0.8541
731 F12 0.8540
732 FYU 0.8539
733 6F0 0.8531
734 VGD 0.8529
735 1WC 0.8520
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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