Receptor
PDB id Resolution Class Description Source Keywords
4m5o 2 Å EC: 7.-.-.- 3-HYDROXY-6-PHENYL-1,2-DIHYDROPYRIDIN-2-ONE BOUND TO INFLUEN H1N1 ENDONUCLEASE INFLUENZA A VIRUS (A/LIMA/WRAIR1695P/2009(H1N1)) CAP-SNATCHING RNA BINDING PROTEIN-INHIBITOR COMPLEX
Ref.: CRYSTALLOGRAPHIC FRAGMENT SCREENING AND STRUCTURE-B OPTIMIZATION YIELDS A NEW CLASS OF INFLUENZA ENDONU INHIBITORS. ACS CHEM.BIOL. V. 8 2501 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
X48 A:307;
A:306;
A:308;
 Valid;
Valid;
Valid;
 none;
none;
none;
 ic50 = 0.38 uM
187.195 C11 H9 N O2 c1ccc...
SO4 A:304;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
MN A:301;
A:302;
A:303;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
54.938 Mn [Mn+2...
EDO A:305;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6NEL 2 Å EC: 7.-.-.- 4-(2-(4-FLUOROPHENYL)-5-HYDROXY-6-OXO-1,6-DIHYDROPYRIDIN-3-Y ACID BOUND TO INFLUENZA 2009 PH1N1 ENDONUCLEASE INFLUENZA A VIRUS INFLUENZA ENDONUCLEASE INHIBITOR CHELATOR VIRAL PROTEIN VIPROTEIN-INHIBITOR COMPLEX
Ref.: ARYL AND ARYLALKYL SUBSTITUTED 3-HYDROXYPYRIDIN-2(1 SYNTHESIS AND EVALUATION AS INHIBITORS OF INFLUENZA ENDONUCLEASE. CHEMMEDCHEM V. 14 1204 2019
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 4M5R ic50 = 1000 uM MSR C9 H8 N2 O c1cc(ccc1n....
2 4M4Q ic50 = 0.011 uM 21A C18 H12 F N5 O2 c1cc(ccc1c....
3 4MK1 ic50 = 16 uM 27Y C5 H4 Br N O2 C1=C(C(=O)....
4 4M5O ic50 = 0.38 uM X48 C11 H9 N O2 c1ccc(cc1)....
5 6NEM ic50 = 12 nM KKS C23 H17 N5 O2 c1ccc2c(c1....
6 4MK5 ic50 = 0.45 uM 28A C12 H11 N O3 COc1cccc(c....
7 4M5U ic50 = 0.023 uM 20F C18 H12 F N5 O2 c1cc(ccc1c....
8 6NEL ic50 = 11 nM KKV C18 H12 F N O4 c1cc(ccc1C....
9 4W9S ic50 = 0.15 uM 3K1 C11 H8 N6 O2 c1cc(ccc1c....
10 4MK2 ic50 = 0.73 uM 28B C12 H8 N2 O2 c1cc(cc(c1....
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: X48; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 X48 1 1
2 28A 0.54717 0.868421
Similar Ligands (3D)
Ligand no: 1; Ligand: X48; Similar ligands found: 1043
No: Ligand Similarity coefficient
1 BP7 1.0000
2 XCG 0.9745
3 XDK 0.9719
4 363 0.9707
5 FZM 0.9677
6 TMG 0.9664
7 E3X 0.9653
8 A5E 0.9641
9 BZE 0.9623
10 LJ3 0.9615
11 ALE 0.9614
12 BNL 0.9610
13 MSR 0.9604
14 ANC 0.9600
15 6FB 0.9597
16 0SY 0.9587
17 LL1 0.9578
18 GVY 0.9574
19 4HB 0.9571
20 CPZ 0.9570
21 6QF 0.9566
22 5E5 0.9564
23 AN3 0.9564
24 L22 0.9552
25 CH9 0.9551
26 BPY 0.9541
27 MPV 0.9536
28 92G 0.9533
29 SNU 0.9531
30 M3E 0.9525
31 JAH 0.9514
32 GO2 0.9509
33 DHC 0.9504
34 ODK 0.9498
35 7O4 0.9497
36 PPY 0.9497
37 6TZ 0.9491
38 ZRK 0.9488
39 C82 0.9488
40 KF5 0.9487
41 AOT 0.9486
42 0BP 0.9485
43 TZF 0.9479
44 SWX 0.9476
45 RKV 0.9476
46 MXD 0.9475
47 R20 0.9470
48 X0U 0.9467
49 78Y 0.9466
50 3VQ 0.9466
51 7ZL 0.9465
52 FQX 0.9464
53 50C 0.9453
54 S0D 0.9444
55 2D2 0.9443
56 4FF 0.9442
57 5TY 0.9438
58 A5H 0.9437
59 G14 0.9435
60 HX4 0.9431
61 C1M 0.9428
62 4BY 0.9427
63 4LW 0.9425
64 5B2 0.9423
65 ZZA 0.9415
66 MIL 0.9412
67 QIV 0.9409
68 BZJ 0.9408
69 1VK 0.9408
70 LZ5 0.9406
71 GZ2 0.9406
72 MPK 0.9403
73 1A7 0.9400
74 ERZ 0.9400
75 36Y 0.9398
76 4BL 0.9393
77 EQW 0.9392
78 4V2 0.9388
79 9UL 0.9388
80 QME 0.9384
81 HC4 0.9381
82 3ZB 0.9379
83 N1E 0.9378
84 HNK 0.9378
85 FYR 0.9372
86 4XF 0.9370
87 ESX 0.9370
88 833 0.9365
89 TYR 0.9365
90 KLE 0.9360
91 PH3 0.9359
92 C0H 0.9355
93 F4K 0.9353
94 JG8 0.9349
95 795 0.9345
96 V2Z 0.9345
97 CK2 0.9343
98 PRL 0.9341
99 DAH 0.9336
100 FF2 0.9334
101 3IL 0.9332
102 4LV 0.9330
103 PUE 0.9328
104 CXH 0.9328
105 2QC 0.9327
106 3VX 0.9325
107 3VS 0.9322
108 UNJ 0.9320
109 B4O 0.9320
110 KTJ 0.9319
111 JMG 0.9319
112 PJW 0.9319
113 ICB 0.9318
114 EN1 0.9316
115 P81 0.9316
116 BIK 0.9313
117 YZM 0.9312
118 FER 0.9312
119 N91 0.9310
120 1Z6 0.9310
121 9CA 0.9309
122 HQJ 0.9309
123 F4E 0.9308
124 TCA 0.9307
125 A51 0.9306
126 FMQ 0.9305
127 HNH 0.9303
128 9FL 0.9302
129 BZ2 0.9300
130 JRB 0.9300
131 TRP 0.9298
132 3VW 0.9296
133 3Y7 0.9295
134 W29 0.9295
135 9FH 0.9295
136 ZSP 0.9295
137 E1T 0.9294
138 8D6 0.9287
139 P80 0.9287
140 1IT 0.9284
141 EYV 0.9283
142 3R4 0.9283
143 X11 0.9277
144 L13 0.9277
145 C4E 0.9276
146 LR8 0.9276
147 C53 0.9271
148 L5V 0.9270
149 5AD 0.9270
150 BP3 0.9267
151 344 0.9264
152 H4B 0.9264
153 MMS 0.9261
154 M1Z 0.9257
155 2P3 0.9256
156 0NX 0.9255
157 XIZ 0.9254
158 ANF 0.9254
159 2FX 0.9253
160 Y3L 0.9252
161 D3G 0.9252
162 54E 0.9251
163 BGU 0.9249
164 ENO 0.9248
165 SOJ 0.9247
166 KWB 0.9246
167 SOV 0.9246
168 2PV 0.9245
169 ITE 0.9244
170 DTR 0.9243
171 6J9 0.9243
172 HXY 0.9241
173 1A5 0.9240
174 S60 0.9240
175 2PK 0.9240
176 R2P 0.9238
177 2HC 0.9238
178 4BF 0.9238
179 VC3 0.9234
180 68A 0.9230
181 12T 0.9230
182 IWT 0.9230
183 AMR 0.9226
184 80G 0.9225
185 V1T 0.9223
186 HNL 0.9222
187 CC5 0.9221
188 PQS 0.9220
189 6KT 0.9219
190 U13 0.9217
191 N0Z 0.9217
192 F18 0.9216
193 AA 0.9215
194 PIY 0.9213
195 K80 0.9211
196 S0G 0.9210
197 4FE 0.9206
198 FCD 0.9205
199 HRM 0.9203
200 JGB 0.9202
201 TOH 0.9201
202 DXK 0.9201
203 SQ7 0.9201
204 PO6 0.9201
205 0FR 0.9200
206 5F8 0.9200
207 N9J 0.9199
208 ESP 0.9199
209 8XL 0.9199
210 M6H 0.9197
211 42R 0.9197
212 MUK 0.9195
213 0UL 0.9193
214 ZYR 0.9190
215 4GU 0.9189
216 5LA 0.9188
217 0JD 0.9187
218 TZM 0.9181
219 NE2 0.9175
220 5FL 0.9173
221 28B 0.9171
222 6MW 0.9170
223 BQ2 0.9169
224 J9N 0.9169
225 657 0.9168
226 LNR 0.9166
227 B1J 0.9165
228 15N 0.9165
229 ZME 0.9164
230 ZEC 0.9164
231 AVA 0.9163
232 ESI 0.9163
233 KYN 0.9162
234 7R4 0.9161
235 YOF 0.9161
236 PQM 0.9161
237 DRG 0.9160
238 7L4 0.9159
239 7MW 0.9159
240 4G2 0.9155
241 SV4 0.9155
242 7VP 0.9152
243 4I8 0.9152
244 PIM 0.9152
245 ZHA 0.9151
246 GF4 0.9151
247 HCI 0.9150
248 RA7 0.9146
249 THA 0.9146
250 3J8 0.9143
251 JDN 0.9143
252 HL4 0.9141
253 2JX 0.9140
254 61M 0.9140
255 AJY 0.9139
256 0OK 0.9138
257 A9B 0.9138
258 EXD 0.9137
259 JCZ 0.9137
260 1HN 0.9135
261 2J1 0.9135
262 FWD 0.9135
263 6HX 0.9135
264 56D 0.9133
265 JB8 0.9133
266 PIQ 0.9133
267 AVX 0.9132
268 PLP 0.9132
269 HA5 0.9131
270 5GV 0.9127
271 MMJ 0.9126
272 H75 0.9126
273 XI7 0.9125
274 OQC 0.9124
275 22L 0.9122
276 5H6 0.9121
277 GJP 0.9120
278 3A9 0.9120
279 2LT 0.9118
280 0OL 0.9117
281 SQ4 0.9116
282 6HO 0.9116
283 C9M 0.9115
284 1L5 0.9115
285 BRH 0.9115
286 F40 0.9114
287 0F9 0.9113
288 0LO 0.9112
289 4RU 0.9112
290 30G 0.9112
291 7UZ 0.9111
292 6NZ 0.9110
293 GT4 0.9110
294 VM1 0.9110
295 LO1 0.9109
296 3D8 0.9109
297 A29 0.9108
298 GJK 0.9108
299 DTY 0.9108
300 LJ4 0.9108
301 GVG 0.9107
302 TCR 0.9107
303 68B 0.9106
304 MD6 0.9106
305 0ON 0.9105
306 HIS 0.9105
307 2K8 0.9104
308 1F1 0.9103
309 CNI 0.9103
310 D2G 0.9102
311 KLS 0.9101
312 TT4 0.9101
313 L03 0.9100
314 2HU 0.9099
315 LUM 0.9099
316 2GQ 0.9098
317 CTE 0.9097
318 AWE 0.9097
319 OA1 0.9095
320 CWD 0.9095
321 LEL 0.9093
322 1DR 0.9093
323 VXX 0.9093
324 9ZE 0.9092
325 P4L 0.9090
326 BVA 0.9089
327 FHC 0.9089
328 HJH 0.9088
329 6P3 0.9088
330 XRS 0.9088
331 HPP 0.9087
332 92O 0.9086
333 0FK 0.9085
334 JF8 0.9084
335 AY4 0.9083
336 DPN 0.9080
337 3QV 0.9080
338 6Q3 0.9079
339 8HC 0.9079
340 5NI 0.9079
341 9PL 0.9077
342 EQA 0.9077
343 0DF 0.9073
344 8NB 0.9073
345 IOS 0.9072
346 N7I 0.9072
347 N3W 0.9072
348 8NX 0.9071
349 AOY 0.9071
350 EWG 0.9071
351 3C4 0.9071
352 NCT 0.9070
353 P7Y 0.9069
354 KP2 0.9068
355 6NT 0.9067
356 ONR 0.9066
357 9R5 0.9066
358 0HN 0.9064
359 S0E 0.9064
360 GNW 0.9063
361 5F5 0.9063
362 HFA 0.9062
363 IOP 0.9062
364 ZRL 0.9062
365 6NI 0.9061
366 ABI 0.9060
367 A4N 0.9060
368 4AU 0.9057
369 HHS 0.9053
370 X6W 0.9051
371 PEY 0.9051
372 2O6 0.9051
373 SLS 0.9049
374 6J5 0.9049
375 89J 0.9048
376 HBO 0.9047
377 L2K 0.9047
378 JP2 0.9047
379 TIH 0.9047
380 94W 0.9046
381 4NB 0.9045
382 EVF 0.9043
383 4FP 0.9043
384 XYP XIF 0.9042
385 TYL 0.9042
386 2ZM 0.9042
387 3NY 0.9041
388 92P 0.9041
389 CK1 0.9041
390 BBY 0.9041
391 XIF XYP 0.9040
392 15E 0.9040
393 0W1 0.9039
394 JZA 0.9038
395 GNM 0.9038
396 0HO 0.9038
397 WVV 0.9038
398 A6W 0.9037
399 PFF 0.9037
400 977 0.9037
401 E7S 0.9037
402 7EH 0.9035
403 6FZ 0.9034
404 M45 0.9033
405 SKF 0.9033
406 HNT 0.9032
407 FHV 0.9031
408 RSV 0.9031
409 4WL 0.9031
410 428 0.9031
411 EAT 0.9031
412 YE6 0.9029
413 T2D 0.9028
414 H4E 0.9026
415 LQ2 0.9026
416 2QU 0.9025
417 6ZX 0.9025
418 3RP 0.9024
419 BWD 0.9024
420 4Z9 0.9024
421 9FG 0.9022
422 DDU 0.9020
423 2WU 0.9018
424 TB8 0.9017
425 848 0.9017
426 MR6 0.9017
427 TYC 0.9016
428 5P3 0.9015
429 S0W 0.9013
430 N2M 0.9013
431 ATX 0.9013
432 4FC 0.9013
433 5VU 0.9011
434 5C1 0.9009
435 1PS 0.9009
436 4ZA 0.9008
437 PHE 0.9007
438 NFA 0.9005
439 JF6 0.9005
440 6H2 0.9004
441 9CE 0.9004
442 YTX 0.9001
443 DNQ 0.8998
444 FT6 0.8998
445 B2Y 0.8998
446 C2Y 0.8996
447 C0W 0.8995
448 9B3 0.8995
449 0K7 0.8994
450 IYR 0.8994
451 S98 0.8993
452 AUV 0.8991
453 1KP 0.8991
454 K7H 0.8991
455 DHY 0.8991
456 NE1 0.8989
457 P2L 0.8989
458 IQQ 0.8988
459 OLU 0.8987
460 Q06 0.8986
461 J6W 0.8985
462 8CC 0.8984
463 IAC 0.8984
464 GCO 0.8983
465 H7S 0.8983
466 NKI 0.8983
467 3C5 0.8980
468 397 0.8980
469 AKG 0.8980
470 Q04 0.8979
471 I2E 0.8979
472 THM 0.8979
473 TI7 0.8978
474 9FE 0.8977
475 5S9 0.8976
476 A7H 0.8975
477 DPT 0.8975
478 GO8 0.8974
479 A5P 0.8973
480 LVD 0.8973
481 RP3 0.8972
482 3D1 0.8971
483 97T 0.8970
484 KMY 0.8970
485 II4 0.8970
486 BHS 0.8969
487 QUS 0.8968
488 K97 0.8967
489 A4T 0.8967
490 1ZC 0.8966
491 5TT 0.8966
492 H2B 0.8965
493 IWD 0.8964
494 0OO 0.8964
495 4AB 0.8962
496 TCC 0.8962
497 RUY 0.8962
498 CBE 0.8962
499 E4P 0.8961
500 6C8 0.8961
501 GB5 0.8960
502 WLH 0.8960
503 BP6 0.8958
504 TJM 0.8956
505 Q4G 0.8956
506 5TZ 0.8956
507 HWD 0.8956
508 OTR 0.8955
509 K48 0.8954
510 MR4 0.8954
511 6FG 0.8954
512 PCQ 0.8953
513 FDR 0.8953
514 5OO 0.8952
515 XDN XYP 0.8952
516 XYP XDN 0.8952
517 39O 0.8952
518 54X 0.8952
519 CIY 0.8950
520 52C 0.8949
521 5V7 0.8948
522 HDH 0.8946
523 AU8 0.8945
524 WV7 0.8944
525 MJW 0.8944
526 JAW 0.8944
527 NAG 0.8944
528 MOK 0.8943
529 9BF 0.8942
530 L5D 0.8942
531 1XS 0.8941
532 XYP XYP 0.8941
533 HHH 0.8940
534 RGK 0.8939
535 TIA 0.8939
536 FC2 0.8938
537 ZYQ 0.8937
538 MP5 0.8936
539 WUB 0.8936
540 BIO 0.8933
541 9H2 0.8933
542 3YP 0.8932
543 1FL 0.8932
544 2JM 0.8930
545 S2G 0.8930
546 1FE 0.8929
547 ARG 0.8928
548 36E 0.8927
549 492 0.8926
550 1WC 0.8926
551 HBI 0.8924
552 KTW 0.8924
553 D8Q 0.8922
554 4P5 0.8922
555 L1T 0.8921
556 J9Q 0.8921
557 OGA 0.8920
558 JBZ 0.8920
559 25F 0.8919
560 7MX 0.8919
561 2QV 0.8918
562 N8Y 0.8918
563 B2T 0.8917
564 5GT 0.8917
565 46P 0.8916
566 A9P 0.8913
567 6HP 0.8912
568 HIC 0.8911
569 URO 0.8911
570 SNO 0.8911
571 FTV 0.8910
572 613 0.8909
573 6DQ 0.8907
574 S1D 0.8906
575 1KN 0.8904
576 47V 0.8904
577 LGT 0.8902
578 XDL XYP 0.8902
579 XIL 0.8902
580 B21 0.8902
581 M5H 0.8901
582 4NP 0.8901
583 SHI 0.8901
584 WCU 0.8901
585 M4N 0.8898
586 7AP 0.8897
587 WS7 0.8897
588 4R1 0.8896
589 9JT 0.8895
590 HHI 0.8895
591 MAJ 0.8894
592 3L1 0.8893
593 OX2 0.8891
594 Z70 0.8890
595 TR4 0.8890
596 CX6 0.8888
597 M78 0.8887
598 4Z1 0.8886
599 IPO 0.8886
600 N2Y 0.8885
601 NIY 0.8884
602 P4T 0.8884
603 0XR 0.8883
604 A5Q 0.8883
605 SZ5 0.8881
606 LDP 0.8881
607 8ZE 0.8881
608 FCW 0.8880
609 4BX 0.8878
610 A73 0.8877
611 IDZ 0.8877
612 EUE 0.8876
613 VBC 0.8875
614 I3E 0.8874
615 7OD 0.8873
616 JSX 0.8870
617 49O 0.8870
618 1V1 0.8870
619 37E 0.8869
620 3F4 0.8868
621 PMP 0.8868
622 CP6 0.8868
623 OOG 0.8867
624 FBF 0.8867
625 EGR 0.8865
626 5F1 0.8865
627 EYJ 0.8865
628 6RQ 0.8865
629 11X 0.8865
630 6C4 0.8865
631 DE5 0.8863
632 3PF 0.8863
633 CHQ 0.8863
634 CFA 0.8862
635 0DN 0.8862
636 F2W 0.8860
637 J9T 0.8859
638 2FQ 0.8858
639 2GD 0.8858
640 Q0K 0.8858
641 5I5 0.8856
642 G6P 0.8855
643 BG6 0.8855
644 4NR 0.8855
645 RKN 0.8855
646 PHI 0.8852
647 6SD 0.8852
648 XRX 0.8852
649 LFQ 0.8851
650 JRO 0.8851
651 F16 0.8850
652 MQN 0.8850
653 26C 0.8850
654 2F6 0.8850
655 BQ5 0.8848
656 RNO 0.8848
657 QR2 0.8847
658 D9Z 0.8846
659 P93 0.8846
660 069 0.8844
661 0OY 0.8843
662 HSX 0.8842
663 BVS 0.8842
664 2HG 0.8842
665 A9O 0.8842
666 D48 0.8840
667 X6P 0.8839
668 LFN 0.8837
669 1XA 0.8837
670 6C5 0.8837
671 8U3 0.8836
672 BY5 0.8836
673 AJ1 0.8833
674 27B 0.8833
675 8G6 0.8833
676 MR5 0.8832
677 60L 0.8831
678 P9E 0.8831
679 20D 0.8829
680 EES 0.8828
681 U7E 0.8827
682 DUR 0.8827
683 5O6 0.8826
684 CR1 0.8826
685 WS6 0.8825
686 7G2 0.8823
687 BTM 0.8823
688 6C9 0.8822
689 PLP PMP 0.8821
690 GB4 0.8821
691 LR2 0.8821
692 F5C 0.8820
693 PLR 0.8819
694 KDV 0.8819
695 WOE 0.8818
696 1HP 0.8817
697 72D 0.8816
698 ZEA 0.8816
699 IA2 0.8816
700 78U 0.8815
701 4JQ 0.8814
702 5CD 0.8814
703 8W9 0.8813
704 LTN 0.8813
705 5QY 0.8813
706 1BW 0.8812
707 3AE 0.8812
708 PNP 0.8811
709 36M 0.8810
710 GXD 0.8808
711 G12 0.8808
712 38E 0.8806
713 RVE 0.8806
714 R9J 0.8805
715 5NN 0.8804
716 TYE 0.8803
717 IQW 0.8803
718 ZIQ 0.8801
719 JWS 0.8801
720 2CZ 0.8801
721 JA5 0.8801
722 N2I 0.8800
723 S7D 0.8799
724 Z21 0.8799
725 AAN 0.8799
726 TID 0.8799
727 4CN 0.8798
728 E9S 0.8798
729 SB7 0.8798
730 TU0 0.8797
731 SAF 0.8796
732 DCZ 0.8794
733 PBA 0.8794
734 GWM 0.8793
735 2B4 0.8793
736 QBP 0.8792
737 QBS 0.8791
738 M83 0.8791
739 SSC 0.8790
740 5OR 0.8790
741 AMQ 0.8790
742 B86 0.8790
743 S7V 0.8789
744 YZ9 0.8789
745 6L6 0.8788
746 AHN 0.8787
747 INO 0.8786
748 96Z 0.8785
749 0TU 0.8785
750 2UZ 0.8784
751 S2P 0.8783
752 4F8 0.8783
753 ARJ 0.8782
754 3SU 0.8782
755 SG2 0.8782
756 BSA 0.8782
757 NOC 0.8781
758 J5I 0.8781
759 K44 0.8780
760 G3E 0.8780
761 DFL 0.8780
762 6ZW 0.8780
763 ADN 0.8780
764 DHB 0.8779
765 J38 0.8778
766 YE7 0.8777
767 9NB 0.8776
768 2KU 0.8775
769 KW7 0.8775
770 4MB 0.8774
771 PH2 0.8773
772 4NS 0.8772
773 H70 0.8772
774 DHI 0.8771
775 CS2 0.8771
776 X2M 0.8771
777 L99 0.8770
778 THU 0.8768
779 ZTW 0.8768
780 5RP 0.8767
781 AX3 0.8767
782 LR5 0.8766
783 SE2 0.8766
784 1AJ 0.8764
785 2HO 0.8764
786 AJG 0.8763
787 N8Z 0.8763
788 A7Q 0.8760
789 SQV 0.8759
790 F02 0.8758
791 TLM 0.8758
792 HX8 0.8757
793 7G0 0.8756
794 54F 0.8755
795 TGX 0.8754
796 ABF 0.8753
797 6J3 0.8753
798 BGP 0.8751
799 X04 0.8750
800 5AE 0.8750
801 DGN 0.8749
802 VUP 0.8749
803 4TU 0.8749
804 1M2 0.8749
805 KW8 0.8747
806 AJV 0.8746
807 MS9 0.8743
808 G30 0.8743
809 HH6 0.8742
810 FHI 0.8741
811 5DS 0.8739
812 5WN 0.8738
813 3AD 0.8737
814 NDD 0.8737
815 PE2 0.8736
816 1ER 0.8736
817 CSN 0.8736
818 DNF 0.8733
819 H5B 0.8733
820 7EL 0.8732
821 FBC 0.8732
822 SOR 0.8732
823 D1G 0.8731
824 4ZD 0.8731
825 CLU 0.8730
826 XYS XYP 0.8729
827 8WT 0.8729
828 173 0.8729
829 3GX 0.8729
830 JTA 0.8728
831 BPU 0.8726
832 NRA 0.8726
833 DBS 0.8726
834 ID2 0.8725
835 X0W 0.8725
836 E1K 0.8725
837 PNZ 0.8725
838 1X4 0.8724
839 AH9 0.8723
840 49P 0.8723
841 OCZ 0.8722
842 5BT 0.8722
843 8HH 0.8722
844 CDJ 0.8722
845 GLU 0.8722
846 GLP 0.8721
847 0N7 0.8721
848 CL9 0.8721
849 MCY 0.8720
850 JLZ 0.8720
851 IHB 0.8720
852 W8L 0.8719
853 27K 0.8718
854 UN1 0.8717
855 PBN 0.8717
856 2BG 0.8716
857 MFR 0.8714
858 8UY 0.8714
859 EZN 0.8714
860 AEH 0.8713
861 IQZ 0.8713
862 4NZ 0.8712
863 4YO 0.8711
864 4CF 0.8711
865 5SJ 0.8710
866 K25 0.8710
867 7FZ 0.8708
868 4A3 0.8708
869 HNM 0.8707
870 AP6 0.8707
871 2UD 0.8707
872 5TO 0.8706
873 WA1 0.8704
874 DIR 0.8703
875 DBQ 0.8701
876 CHB 0.8699
877 1V3 0.8699
878 GZL 0.8695
879 9AP 0.8694
880 L15 0.8694
881 8MO 0.8694
882 MUR 0.8691
883 API 0.8691
884 AZM 0.8691
885 F31 0.8691
886 7FU 0.8690
887 FHB 0.8689
888 ANN 0.8689
889 PBQ 0.8689
890 NNO 0.8688
891 GNV 0.8687
892 93K 0.8687
893 AJD 0.8687
894 URI 0.8687
895 H2W 0.8686
896 M6P 0.8686
897 1SF 0.8685
898 SJK 0.8685
899 XIY 0.8685
900 E0O 0.8682
901 CTN 0.8682
902 K4V 0.8681
903 5WT 0.8680
904 5DL 0.8679
905 XYS XYS 0.8679
906 HJ7 0.8678
907 A4D 0.8678
908 LDR 0.8676
909 H35 0.8674
910 0XT 0.8674
911 535 0.8674
912 2BX 0.8673
913 5FD 0.8673
914 6DP 0.8673
915 42J 0.8671
916 F69 0.8670
917 4GP 0.8663
918 WSD 0.8663
919 8WO 0.8663
920 4ZF 0.8662
921 UAY 0.8661
922 3DT 0.8660
923 2UB 0.8660
924 45L 0.8660
925 A 0.8659
926 N2Z 0.8659
927 SRO 0.8659
928 SNV 0.8656
929 M3H 0.8656
930 LLT 0.8654
931 4NC 0.8651
932 B56 0.8651
933 AD3 0.8650
934 UKV 0.8650
935 4Z3 0.8649
936 5N5 0.8649
937 BCK 0.8649
938 K34 0.8647
939 537 0.8646
940 15Q 0.8646
941 EE8 0.8644
942 ODO 0.8644
943 7I2 0.8644
944 CKA 0.8644
945 GNG 0.8642
946 TA6 0.8639
947 3HM 0.8639
948 27M 0.8639
949 NOS 0.8638
950 HHR 0.8638
951 5RO 0.8638
952 DEZ 0.8638
953 TIY 0.8638
954 PRH 0.8637
955 A6P 0.8637
956 57D 0.8637
957 5E4 0.8635
958 PD2 0.8635
959 QMR 0.8635
960 7MU 0.8632
961 CZ0 0.8632
962 A1Y 0.8630
963 JF1 0.8630
964 BEA 0.8629
965 QSB 0.8629
966 KJU 0.8628
967 F06 0.8627
968 DNA 0.8626
969 3QO 0.8623
970 HQD 0.8622
971 BX4 0.8621
972 RP5 0.8621
973 26P 0.8621
974 ENW 0.8616
975 4SX 0.8615
976 PZ8 0.8614
977 LOT 0.8614
978 JY4 0.8613
979 X0V 0.8612
980 HRD 0.8612
981 549 0.8612
982 9TW 0.8611
983 DE3 0.8610
984 MTL 0.8610
985 DT7 0.8610
986 UL1 0.8608
987 D6G 0.8607
988 1V4 0.8607
989 4AF 0.8604
990 5XC 0.8601
991 IIH 0.8600
992 CJB 0.8598
993 51Y 0.8596
994 MYJ 0.8596
995 GDE 0.8596
996 39Z 0.8592
997 P9P 0.8592
998 NIF 0.8592
999 XFE 0.8591
1000 DKZ 0.8590
1001 M3W 0.8588
1002 2HQ 0.8588
1003 BL0 0.8586
1004 7D7 0.8586
1005 OW7 0.8585
1006 JR2 0.8585
1007 CFI 0.8584
1008 RD4 0.8581
1009 B40 0.8581
1010 NPS 0.8581
1011 2JK 0.8578
1012 LYS 0.8575
1013 4KL 0.8574
1014 XEV 0.8573
1015 DKX 0.8572
1016 AKD 0.8569
1017 F6P 0.8566
1018 ID8 0.8565
1019 QMS 0.8560
1020 I5A 0.8559
1021 NTF 0.8558
1022 BNF 0.8556
1023 AZ9 0.8553
1024 LDC 0.8552
1025 IS2 0.8552
1026 72E 0.8551
1027 CTD 0.8549
1028 KYA 0.8548
1029 4ME 0.8546
1030 1Q4 0.8546
1031 AEG 0.8543
1032 8V8 0.8535
1033 3N0 0.8535
1034 B23 0.8530
1035 NBG 0.8530
1036 KPV 0.8529
1037 JF2 0.8527
1038 RQD 0.8527
1039 IPD 0.8524
1040 HG3 0.8517
1041 DX2 0.8517
1042 U4J 0.8514
1043 BA5 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6NEL; Ligand: KKV; 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: 6nel.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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