Receptor
PDB id Resolution Class Description Source Keywords
4MK5 1.9 Å EC: 7.-.-.- 6-(3-METHOXYPHENYL)PYRIDINE-2,3-DIOL BOUND TO INFLUENZA 2009 ENDONUCLEASE INFLUENZA A VIRUS (A/LIMA/WRAIR1695P/2009(H1N1)) CAP-SNATCHING RNA BINDING PROTEIN RNA BINDING PROTEIN-INHICOMPLEX
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
MN A:302;
A:303;
A:301;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
54.938 Mn [Mn+2...
SO4 A:304;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
28A A:306;
 Valid;
 none;
 ic50 = 0.45 uM
217.221 C12 H11 N O3 COc1c...
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: 28A; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 28A 1 1
2 X48 0.54717 0.868421
Similar Ligands (3D)
Ligand no: 1; Ligand: 28A; Similar ligands found: 738
No: Ligand Similarity coefficient
1 28B 0.9728
2 1XS 0.9665
3 Q4G 0.9621
4 IQQ 0.9595
5 7G2 0.9593
6 0K7 0.9539
7 L5D 0.9531
8 VBC 0.9528
9 S1D 0.9522
10 XEV 0.9461
11 U14 0.9445
12 0UL 0.9439
13 S0D 0.9436
14 PRL 0.9433
15 JSX 0.9428
16 WVV 0.9414
17 M83 0.9414
18 Q2S 0.9412
19 ERZ 0.9411
20 5F8 0.9410
21 92G 0.9409
22 1SF 0.9403
23 LUM 0.9387
24 U4J 0.9380
25 2GD 0.9376
26 IDZ 0.9376
27 0LO 0.9373
28 4AU 0.9369
29 3D8 0.9365
30 4FF 0.9354
31 JWS 0.9352
32 5FL 0.9346
33 FQX 0.9338
34 0NX 0.9334
35 QKU 0.9333
36 6FB 0.9330
37 1ZC 0.9324
38 AUV 0.9323
39 ZRK 0.9323
40 833 0.9316
41 OLU 0.9310
42 TCR 0.9309
43 4G2 0.9305
44 L2K 0.9302
45 JCZ 0.9291
46 BMC 0.9287
47 47V 0.9282
48 EQW 0.9280
49 FCW 0.9272
50 AVA 0.9271
51 CK2 0.9269
52 ADN 0.9268
53 L22 0.9265
54 0SY 0.9265
55 DFL 0.9262
56 MR6 0.9261
57 XDK 0.9258
58 1FL 0.9250
59 Q92 0.9250
60 2J1 0.9248
61 EAT 0.9247
62 AJG 0.9243
63 1Q1 0.9240
64 X6W 0.9238
65 78Y 0.9237
66 4GU 0.9235
67 3VQ 0.9232
68 272 0.9231
69 2P3 0.9231
70 NE2 0.9231
71 DXK 0.9227
72 AVX 0.9226
73 BZE 0.9226
74 FHI 0.9226
75 CK1 0.9222
76 NKI 0.9219
77 3D1 0.9217
78 D2G 0.9216
79 G14 0.9211
80 3F4 0.9210
81 5FD 0.9207
82 TVC 0.9204
83 5VU 0.9204
84 1DR 0.9204
85 5B2 0.9203
86 6QF 0.9203
87 SZ5 0.9200
88 RGK 0.9200
89 5TZ 0.9199
90 BP7 0.9196
91 9CE 0.9196
92 1AJ 0.9195
93 F18 0.9194
94 F40 0.9193
95 HRM 0.9191
96 Y3L 0.9190
97 QIV 0.9189
98 AV4 0.9188
99 II4 0.9186
100 3C5 0.9185
101 1V1 0.9184
102 5E5 0.9184
103 MR4 0.9182
104 5N5 0.9182
105 U13 0.9182
106 AMR 0.9181
107 AWE 0.9176
108 L03 0.9176
109 BIK 0.9175
110 5AD 0.9174
111 ZYW 0.9174
112 4ZF 0.9173
113 B2T 0.9173
114 P2L 0.9173
115 6MW 0.9171
116 795 0.9170
117 5ER 0.9170
118 K80 0.9169
119 2D2 0.9168
120 15Q 0.9168
121 ANC 0.9167
122 S60 0.9166
123 A9B 0.9166
124 JFS 0.9164
125 XYP XYP 0.9162
126 38E 0.9161
127 ZSP 0.9159
128 FHV 0.9159
129 A73 0.9158
130 2PK 0.9155
131 27M 0.9154
132 ZZA 0.9153
133 2QV 0.9153
134 20D 0.9149
135 LL1 0.9148
136 6H2 0.9147
137 WLH 0.9143
138 PUE 0.9142
139 LR2 0.9142
140 PIQ 0.9142
141 XYP XDN 0.9137
142 XDN XYP 0.9137
143 KLS 0.9136
144 2PV 0.9136
145 7L4 0.9135
146 D3G 0.9133
147 HNT 0.9132
148 1KN 0.9131
149 8CC 0.9130
150 CBE 0.9126
151 J1K 0.9125
152 TCC 0.9124
153 0XR 0.9123
154 1HP 0.9118
155 0DF 0.9117
156 WUB 0.9117
157 A7Q 0.9116
158 FMQ 0.9115
159 WG8 0.9115
160 B4O 0.9115
161 7EH 0.9114
162 0FR 0.9113
163 MHB 0.9113
164 IA2 0.9111
165 3CA 0.9110
166 A63 0.9110
167 6DQ 0.9108
168 MMJ 0.9107
169 WCU 0.9105
170 6NZ 0.9105
171 KWB 0.9105
172 TVZ 0.9103
173 C4E 0.9100
174 LZ5 0.9100
175 XDL XYP 0.9098
176 25F 0.9094
177 4V2 0.9094
178 JRO 0.9094
179 H4B 0.9093
180 GVY 0.9091
181 MUK 0.9089
182 BXZ 0.9087
183 EAJ 0.9086
184 T21 0.9085
185 FYR 0.9085
186 JVD 0.9085
187 RVE 0.9083
188 0DJ 0.9082
189 DHC 0.9081
190 XI7 0.9080
191 801 0.9080
192 3RP 0.9080
193 BGU 0.9077
194 LJ3 0.9076
195 XCG 0.9076
196 PRH 0.9075
197 P4T 0.9075
198 JF8 0.9075
199 BVS 0.9075
200 5C1 0.9075
201 UN3 0.9074
202 HRD 0.9073
203 ZRL 0.9073
204 1ER 0.9071
205 3Q0 0.9068
206 TMG 0.9064
207 D8Q 0.9063
208 2WU 0.9060
209 TJM 0.9060
210 C0H 0.9059
211 2QU 0.9056
212 9RM 0.9055
213 BMZ 0.9055
214 ARJ 0.9055
215 NOC 0.9055
216 CR4 0.9054
217 BPY 0.9053
218 X11 0.9052
219 ODK 0.9051
220 BBY 0.9051
221 XIL 0.9050
222 VM1 0.9050
223 NRA 0.9046
224 HH6 0.9045
225 MTA 0.9044
226 NIY 0.9043
227 V2Z 0.9040
228 N0Z 0.9039
229 NOS 0.9039
230 4HB 0.9036
231 P7V 0.9035
232 4CN 0.9035
233 FZM 0.9034
234 6HO 0.9034
235 6FG 0.9033
236 FCD 0.9029
237 YE6 0.9029
238 7FZ 0.9029
239 SOJ 0.9027
240 BIO 0.9027
241 G30 0.9023
242 08C 0.9023
243 6SD 0.9022
244 27F 0.9021
245 JF5 0.9015
246 PCQ 0.9014
247 OA1 0.9014
248 NK5 0.9011
249 ITE 0.9009
250 XYS XYP 0.9007
251 SOV 0.9006
252 JGB 0.9006
253 ZYC 0.9002
254 5TT 0.9001
255 KWV 0.9000
256 1Q2 0.8998
257 50C 0.8998
258 MXD 0.8998
259 6C8 0.8997
260 EN1 0.8995
261 3L1 0.8993
262 4Z9 0.8988
263 5P3 0.8987
264 ZEA 0.8987
265 6J9 0.8984
266 MR5 0.8984
267 49P 0.8983
268 7R4 0.8982
269 P4L 0.8981
270 120 0.8981
271 KCH 0.8980
272 92O 0.8980
273 X29 0.8979
274 344 0.8978
275 K7H 0.8976
276 S98 0.8975
277 XYP XIF 0.8975
278 NQ7 0.8974
279 XYS XYS 0.8974
280 TRP 0.8972
281 51Y 0.8970
282 5NN 0.8969
283 E3X 0.8969
284 QME 0.8968
285 LLT 0.8966
286 FF2 0.8966
287 TPM 0.8965
288 N9J 0.8957
289 90G 0.8957
290 6QT 0.8957
291 1UZ 0.8956
292 ESJ 0.8956
293 TYR 0.8954
294 5F1 0.8954
295 B21 0.8953
296 0RY 0.8953
297 KMY 0.8952
298 CUQ 0.8952
299 DFV 0.8949
300 N9M 0.8948
301 122 0.8948
302 TH4 0.8946
303 FER 0.8945
304 6ZW 0.8945
305 5S9 0.8944
306 4UM 0.8944
307 EQU 0.8944
308 U12 0.8943
309 IS2 0.8943
310 1V8 0.8943
311 BNL 0.8939
312 5H6 0.8938
313 TIA 0.8938
314 4Z1 0.8936
315 1V4 0.8933
316 DBE 0.8933
317 ZTW 0.8933
318 3IP 0.8932
319 ENO 0.8932
320 0NJ 0.8931
321 SWX 0.8930
322 5F5 0.8930
323 68B 0.8930
324 1A7 0.8928
325 NIR 0.8928
326 SSY 0.8926
327 91F 0.8925
328 GT4 0.8925
329 2JM 0.8925
330 A4D 0.8924
331 6P3 0.8922
332 1FE 0.8921
333 1DA 0.8921
334 7G1 0.8921
335 NFZ 0.8920
336 363 0.8919
337 5BX 0.8917
338 GF7 0.8917
339 7MW 0.8917
340 DAH 0.8915
341 RKV 0.8915
342 HPR 0.8913
343 R20 0.8912
344 NDD 0.8912
345 YE7 0.8912
346 Q0K 0.8911
347 7KE 0.8911
348 9UL 0.8910
349 0OP 0.8909
350 FC2 0.8909
351 97K 0.8909
352 5TO 0.8908
353 AOY 0.8907
354 GJG 0.8906
355 KF5 0.8904
356 AJ4 0.8904
357 5TY 0.8903
358 6L6 0.8901
359 2JX 0.8901
360 6C4 0.8900
361 H70 0.8899
362 M3W 0.8898
363 X6P 0.8897
364 3QV 0.8893
365 Z70 0.8893
366 BXS 0.8893
367 FY8 0.8892
368 A6W 0.8892
369 27K 0.8890
370 E9S 0.8890
371 7ZO 0.8888
372 HBI 0.8888
373 I2E 0.8887
374 KW7 0.8887
375 L1T 0.8886
376 IWT 0.8885
377 VM7 0.8885
378 AN3 0.8884
379 F63 0.8883
380 1VK 0.8882
381 GZ2 0.8881
382 L15 0.8881
383 C53 0.8880
384 1V3 0.8880
385 XIF XYP 0.8880
386 Y3J 0.8880
387 7ZL 0.8879
388 3ZB 0.8878
389 CJZ 0.8878
390 RA7 0.8878
391 4BY 0.8877
392 GB5 0.8875
393 6FX 0.8875
394 121 0.8875
395 ID8 0.8874
396 6J3 0.8874
397 9FH 0.8873
398 WS6 0.8872
399 WDW 0.8872
400 3VW 0.8871
401 NIF 0.8871
402 EWG 0.8870
403 D25 0.8869
404 4FE 0.8868
405 EST 0.8867
406 3GX 0.8867
407 EQA 0.8865
408 AYS 0.8865
409 W29 0.8864
410 4FC 0.8863
411 WOE 0.8863
412 LEL 0.8863
413 205 0.8861
414 4BL 0.8860
415 IQZ 0.8858
416 LI7 0.8857
417 108 0.8857
418 0ON 0.8855
419 FBC 0.8854
420 TB8 0.8852
421 9X3 0.8851
422 KW8 0.8851
423 D1G 0.8851
424 RQD 0.8849
425 5E4 0.8849
426 OJD 0.8848
427 531 0.8848
428 5SJ 0.8847
429 2B4 0.8847
430 VC3 0.8846
431 GNW 0.8844
432 6ZX 0.8844
433 KU1 0.8843
434 ZMG 0.8843
435 BZC 0.8843
436 1HR 0.8842
437 3Y7 0.8840
438 B4L 0.8840
439 124 0.8839
440 6PB 0.8839
441 MT6 0.8839
442 RCV 0.8838
443 BQ5 0.8838
444 D9Z 0.8838
445 QR2 0.8837
446 LU2 0.8837
447 5O6 0.8837
448 GJK 0.8837
449 AQ1 0.8837
450 H75 0.8836
451 KYN 0.8835
452 ALE 0.8834
453 TR4 0.8832
454 SX2 0.8831
455 11X 0.8831
456 7VP 0.8831
457 C82 0.8830
458 AH9 0.8830
459 2LT 0.8829
460 60L 0.8827
461 6C5 0.8825
462 G2V 0.8824
463 A6Z 0.8824
464 RUG 0.8823
465 HX4 0.8822
466 W8L 0.8822
467 NWW 0.8822
468 H2B 0.8821
469 TID 0.8818
470 A05 0.8818
471 CC5 0.8817
472 8D6 0.8816
473 8HH 0.8816
474 MEX 0.8815
475 DBS 0.8814
476 BZQ 0.8814
477 A51 0.8814
478 4XF 0.8814
479 F36 0.8813
480 GVI 0.8809
481 2GQ 0.8809
482 GOE 0.8808
483 4AB 0.8808
484 AJD 0.8805
485 YZ9 0.8805
486 EYJ 0.8804
487 LVY 0.8804
488 3CX 0.8802
489 VAO 0.8802
490 HC4 0.8802
491 3AK 0.8800
492 94X 0.8797
493 F16 0.8797
494 1Q4 0.8797
495 LSQ 0.8795
496 X0U 0.8794
497 ZME 0.8794
498 3N0 0.8794
499 TOH 0.8793
500 AH6 0.8793
501 P80 0.8793
502 PPY 0.8790
503 H2W 0.8790
504 549 0.8789
505 4K2 0.8789
506 TLF 0.8788
507 NZ4 0.8787
508 N91 0.8786
509 7FU 0.8785
510 1A5 0.8785
511 1V0 0.8784
512 EES 0.8783
513 V1T 0.8783
514 CDJ 0.8782
515 78U 0.8782
516 JAH 0.8781
517 IK1 0.8780
518 MFR 0.8778
519 90M 0.8777
520 5ZM 0.8776
521 D1Y 0.8775
522 LO1 0.8772
523 BX4 0.8771
524 NU3 0.8769
525 ELH 0.8768
526 2J2 0.8767
527 LFQ 0.8767
528 2UV 0.8766
529 VT3 0.8766
530 LR8 0.8765
531 492 0.8765
532 6BK 0.8764
533 H35 0.8761
534 LDC 0.8759
535 BNY 0.8759
536 NAL 0.8759
537 4I8 0.8758
538 SQV 0.8758
539 AZZ 0.8757
540 K4T 0.8756
541 UN9 0.8756
542 HHB 0.8755
543 GB4 0.8754
544 4RG 0.8754
545 2GE 0.8753
546 UNJ 0.8752
547 4HG 0.8751
548 AKD 0.8751
549 5V7 0.8751
550 37E 0.8751
551 C9M 0.8751
552 PUR 0.8750
553 5GT 0.8749
554 A5Q 0.8749
555 0OK 0.8749
556 3DE 0.8747
557 GZV 0.8746
558 IOP 0.8746
559 EZL 0.8745
560 GO2 0.8744
561 6C9 0.8743
562 14W 0.8741
563 A7K 0.8740
564 PZ8 0.8739
565 J38 0.8738
566 16Z 0.8737
567 E9L 0.8737
568 0OY 0.8736
569 HQJ 0.8736
570 9BF 0.8736
571 2KU 0.8735
572 HNK 0.8734
573 C0W 0.8733
574 WV7 0.8732
575 2LW 0.8731
576 4FP 0.8731
577 4Z3 0.8729
578 DDC 0.8728
579 JCQ 0.8725
580 1UT 0.8723
581 IPO 0.8722
582 N5B 0.8722
583 EYY 0.8721
584 GNG 0.8720
585 OUG 0.8720
586 T1N 0.8718
587 AV7 0.8718
588 VGS 0.8718
589 0BP 0.8717
590 S0A 0.8717
591 S7S 0.8717
592 5TU 0.8715
593 LTN 0.8715
594 CH9 0.8715
595 2QC 0.8715
596 1R5 0.8714
597 Q9T 0.8714
598 PQM 0.8714
599 68C 0.8712
600 MD6 0.8712
601 A5E 0.8711
602 FSE 0.8710
603 Z16 0.8708
604 PZX 0.8707
605 TIZ 0.8706
606 7G0 0.8704
607 PQS 0.8702
608 4F8 0.8702
609 AHR AHR 0.8701
610 5M2 0.8701
611 6XC 0.8700
612 3D3 0.8699
613 FNA 0.8698
614 RPN 0.8697
615 AZY 0.8696
616 DTR 0.8695
617 O53 0.8694
618 5GV 0.8694
619 YIP 0.8692
620 7O4 0.8692
621 B98 0.8692
622 581 0.8692
623 3IL 0.8690
624 JI2 0.8689
625 L13 0.8688
626 NEU 0.8688
627 DS8 0.8687
628 CX5 0.8687
629 BSV 0.8687
630 IYR 0.8687
631 XYP XYS 0.8687
632 0QV 0.8686
633 A64 0.8683
634 IMH 0.8681
635 SQ4 0.8680
636 H4E 0.8679
637 F02 0.8678
638 4BF 0.8675
639 26C 0.8675
640 36M 0.8671
641 JA5 0.8671
642 BHS 0.8670
643 LI4 0.8669
644 O9Q 0.8666
645 JMG 0.8664
646 3VX 0.8664
647 C4F 0.8663
648 6GP 0.8663
649 IMK 0.8662
650 5P7 0.8661
651 3XH 0.8661
652 DT7 0.8661
653 HNH 0.8660
654 Z2T 0.8659
655 ET0 0.8658
656 22M 0.8657
657 EMU 0.8656
658 72G 0.8656
659 XTS 0.8656
660 0MB 0.8655
661 PLP 0.8654
662 DTY 0.8651
663 RE4 0.8651
664 GXG 0.8651
665 IEE 0.8650
666 5OO 0.8649
667 SJR 0.8648
668 ZEC 0.8648
669 4L2 0.8645
670 4CF 0.8645
671 CMG 0.8644
672 HNM 0.8644
673 PFF 0.8644
674 D64 0.8643
675 TT4 0.8643
676 C0Y 0.8640
677 C0V 0.8639
678 EDG AHR 0.8639
679 P81 0.8638
680 1UR 0.8638
681 HNL 0.8636
682 802 0.8636
683 0X2 0.8635
684 CL9 0.8632
685 8M5 0.8632
686 FMB 0.8632
687 CPZ 0.8632
688 5WT 0.8631
689 FTV 0.8629
690 9B3 0.8629
691 S8P 0.8628
692 WA2 0.8626
693 FT6 0.8623
694 3R4 0.8623
695 XRS 0.8623
696 613 0.8621
697 DE7 0.8620
698 HO6 0.8619
699 36Z 0.8618
700 AUY 0.8618
701 BSA 0.8617
702 5DE 0.8616
703 KLV 0.8615
704 MSR 0.8615
705 5CK 0.8613
706 NNR 0.8612
707 5NR 0.8612
708 6JO 0.8612
709 U55 0.8609
710 52F 0.8609
711 Z15 0.8608
712 OSY 0.8608
713 Z57 0.8607
714 LZ7 0.8606
715 GXD 0.8596
716 KHP 0.8596
717 SB7 0.8592
718 80G 0.8591
719 SNU 0.8589
720 1QP 0.8585
721 3WK 0.8580
722 8YH 0.8579
723 0OO 0.8578
724 1Z6 0.8575
725 QUE 0.8574
726 LWS 0.8570
727 53X 0.8568
728 Q5M 0.8546
729 36Y 0.8544
730 OT4 0.8541
731 PJK 0.8535
732 6HP 0.8531
733 NAG 0.8530
734 NYJ 0.8521
735 GF4 0.8521
736 6EN 0.8520
737 5VL 0.8511
738 6F3 0.8509
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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