Receptor
PDB id Resolution Class Description Source Keywords
4MK2 1.85 Å EC: 7.-.-.- 3-(5-HYDROXY-6-OXO-1,6-DIHYDROPYRIDIN-3-YL)BENZONITRILE BOUN INFLUENZA 2009 PH1N1 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
28B A:306;
 Valid;
 none;
 ic50 = 0.73 uM
212.204 C12 H8 N2 O2 c1cc(...
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...
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: 28B; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 28B 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 28B; Similar ligands found: 386
No: Ligand Similarity coefficient
1 28A 0.9728
2 Q4G 0.9497
3 7G2 0.9454
4 IQQ 0.9413
5 L5D 0.9400
6 S1D 0.9371
7 1XS 0.9370
8 1ZC 0.9362
9 0XR 0.9350
10 JSX 0.9348
11 VBC 0.9342
12 3C5 0.9309
13 0K7 0.9283
14 5F8 0.9279
15 NE2 0.9276
16 MR6 0.9243
17 4GU 0.9239
18 U4J 0.9238
19 KWV 0.9238
20 TJM 0.9234
21 47V 0.9224
22 XEV 0.9222
23 2GD 0.9217
24 0NX 0.9215
25 4G2 0.9210
26 4FF 0.9209
27 THM 0.9204
28 QKU 0.9202
29 1SF 0.9201
30 MUK 0.9194
31 5E5 0.9187
32 BP7 0.9184
33 3D8 0.9171
34 X48 0.9171
35 AUV 0.9168
36 5FL 0.9160
37 TVC 0.9156
38 V2Z 0.9152
39 L03 0.9144
40 WVV 0.9137
41 Q92 0.9135
42 S0D 0.9135
43 833 0.9127
44 M83 0.9121
45 5B2 0.9120
46 PCQ 0.9117
47 KCH 0.9113
48 NE1 0.9112
49 8CC 0.9110
50 1FL 0.9093
51 9CE 0.9087
52 MIL 0.9083
53 92G 0.9073
54 FC2 0.9066
55 4AU 0.9066
56 SSY 0.9065
57 BBY 0.9062
58 U14 0.9062
59 CK1 0.9062
60 2QV 0.9060
61 XDK 0.9058
62 9JT 0.9056
63 ZZA 0.9055
64 6NZ 0.9052
65 MMJ 0.9052
66 BZE 0.9051
67 7VF 0.9049
68 0LO 0.9048
69 AVX 0.9048
70 ZRK 0.9042
71 D3G 0.9039
72 ADN 0.9034
73 G14 0.9031
74 BVS 0.9028
75 C4E 0.9028
76 0SY 0.9028
77 5GV 0.9027
78 A5H 0.9027
79 PRL 0.9026
80 6H2 0.9024
81 PE2 0.9018
82 2D2 0.9017
83 MR4 0.9013
84 D2G 0.9009
85 AWE 0.9009
86 AV4 0.9005
87 5P3 0.8998
88 F40 0.8993
89 78Y 0.8985
90 MR5 0.8983
91 BXZ 0.8983
92 RGK 0.8981
93 5C1 0.8979
94 P4L 0.8978
95 3AD 0.8973
96 TVZ 0.8973
97 1AJ 0.8972
98 5ER 0.8972
99 FZM 0.8969
100 FCD 0.8968
101 3L1 0.8967
102 2QU 0.8967
103 3F4 0.8960
104 27M 0.8960
105 LJ3 0.8960
106 EZN 0.8957
107 15Q 0.8954
108 4ZF 0.8951
109 20D 0.8951
110 VAO 0.8947
111 G30 0.8945
112 SOV 0.8942
113 6DQ 0.8938
114 KWB 0.8931
115 T21 0.8931
116 FHI 0.8930
117 DXK 0.8929
118 NKI 0.8929
119 6FB 0.8928
120 EAT 0.8927
121 BXS 0.8927
122 OLU 0.8920
123 OCZ 0.8919
124 TIA 0.8917
125 3Q0 0.8913
126 NQ7 0.8912
127 XCG 0.8912
128 JFS 0.8912
129 MT6 0.8911
130 0UL 0.8911
131 HH6 0.8905
132 MTA 0.8903
133 1ER 0.8900
134 DFL 0.8900
135 TIZ 0.8896
136 1V1 0.8895
137 38E 0.8895
138 WCU 0.8893
139 FYR 0.8893
140 0DJ 0.8892
141 7L4 0.8890
142 YIP 0.8890
143 5F5 0.8890
144 LU2 0.8888
145 1HR 0.8888
146 IIH 0.8886
147 DDC 0.8885
148 25F 0.8885
149 SZ5 0.8883
150 CK2 0.8883
151 L2K 0.8881
152 D8Q 0.8881
153 49P 0.8880
154 VM1 0.8879
155 ERZ 0.8876
156 5AD 0.8876
157 ID8 0.8874
158 6J3 0.8874
159 57D 0.8874
160 AJ4 0.8873
161 3VQ 0.8872
162 2UD 0.8872
163 6FX 0.8871
164 PZX 0.8871
165 DFV 0.8870
166 HRM 0.8869
167 H70 0.8866
168 6ZW 0.8866
169 XI7 0.8865
170 4V2 0.8861
171 AVA 0.8860
172 2JX 0.8857
173 IDZ 0.8856
174 TI7 0.8855
175 DUR 0.8855
176 TRP 0.8853
177 XYP XYP 0.8853
178 DBE 0.8850
179 2LW 0.8849
180 UN3 0.8848
181 3D1 0.8847
182 JI2 0.8846
183 JF5 0.8841
184 NU3 0.8840
185 RCV 0.8840
186 JWS 0.8839
187 3DE 0.8839
188 4XF 0.8838
189 272 0.8838
190 FHV 0.8837
191 795 0.8836
192 92O 0.8836
193 K8W 0.8831
194 9FG 0.8830
195 AV7 0.8830
196 FBC 0.8830
197 ODK 0.8824
198 BPY 0.8822
199 URI 0.8822
200 A9B 0.8821
201 YE6 0.8819
202 U13 0.8817
203 A73 0.8816
204 P80 0.8816
205 C53 0.8814
206 FER 0.8813
207 CX6 0.8812
208 X6W 0.8811
209 BZC 0.8810
210 E9S 0.8809
211 1A7 0.8809
212 U12 0.8806
213 X11 0.8806
214 OUG 0.8806
215 JCZ 0.8805
216 XYS XYS 0.8805
217 KMY 0.8805
218 HNT 0.8804
219 4F8 0.8803
220 D1G 0.8803
221 EFX 0.8802
222 C0H 0.8796
223 CX5 0.8795
224 0FR 0.8794
225 AOY 0.8791
226 UL1 0.8790
227 OUA 0.8789
228 VM7 0.8785
229 A05 0.8785
230 4CN 0.8784
231 W29 0.8784
232 LR2 0.8782
233 GMP 0.8781
234 EQA 0.8781
235 PRH 0.8778
236 P4T 0.8778
237 5H6 0.8774
238 6HO 0.8773
239 90G 0.8773
240 PBQ 0.8773
241 ZEA 0.8772
242 XTS 0.8771
243 HKK 0.8767
244 5E4 0.8766
245 AQ1 0.8764
246 Q9T 0.8762
247 0DF 0.8762
248 CC6 0.8758
249 KU1 0.8757
250 6QT 0.8757
251 8UY 0.8755
252 WLH 0.8754
253 2P3 0.8754
254 6C8 0.8754
255 IA2 0.8754
256 ZRL 0.8753
257 4RG 0.8753
258 60L 0.8753
259 5BT 0.8752
260 AJD 0.8751
261 B21 0.8750
262 EQW 0.8749
263 72G 0.8747
264 NOS 0.8744
265 PIQ 0.8742
266 SWX 0.8740
267 GJK 0.8736
268 A 0.8735
269 581 0.8734
270 5N5 0.8733
271 ALE 0.8732
272 A4D 0.8727
273 NIR 0.8727
274 GNG 0.8726
275 X6P 0.8722
276 AGI 0.8722
277 5CD 0.8722
278 JGB 0.8721
279 D1Y 0.8721
280 6F3 0.8720
281 1HP 0.8720
282 GZV 0.8718
283 BSV 0.8717
284 7LU 0.8714
285 91F 0.8713
286 BQ5 0.8712
287 FMQ 0.8711
288 3JC 0.8710
289 5VU 0.8709
290 ZME 0.8709
291 CJZ 0.8708
292 51Y 0.8708
293 108 0.8705
294 6FG 0.8704
295 A63 0.8701
296 SNJ 0.8700
297 08C 0.8697
298 IPJ 0.8690
299 A6Z 0.8687
300 3CX 0.8687
301 IPO 0.8687
302 CFE 0.8685
303 JAH 0.8682
304 2UV 0.8682
305 4HG 0.8679
306 H4B 0.8675
307 8D6 0.8674
308 CWD 0.8674
309 SB7 0.8672
310 J38 0.8672
311 GOE 0.8671
312 XYS XYP 0.8669
313 7EH 0.8664
314 GT4 0.8661
315 P2L 0.8658
316 DBS 0.8657
317 WDW 0.8656
318 K80 0.8654
319 6C5 0.8652
320 ZIP 0.8652
321 5TO 0.8651
322 AH6 0.8650
323 AH3 0.8650
324 50C 0.8649
325 OT4 0.8648
326 9UL 0.8647
327 DAH 0.8642
328 27K 0.8642
329 BX4 0.8642
330 EWG 0.8642
331 M3E 0.8641
332 SOJ 0.8641
333 MXD 0.8640
334 69W 0.8640
335 I2E 0.8640
336 5O6 0.8639
337 6C9 0.8638
338 HRD 0.8637
339 HHB 0.8633
340 B4O 0.8626
341 4EU 0.8624
342 PQM 0.8624
343 H35 0.8622
344 BNL 0.8620
345 2GE 0.8612
346 122 0.8610
347 CR4 0.8610
348 LUM 0.8609
349 DCF 0.8608
350 K4T 0.8604
351 4FE 0.8603
352 CWE 0.8603
353 1V8 0.8602
354 M3W 0.8597
355 JF8 0.8597
356 LJ4 0.8594
357 WOE 0.8594
358 VT3 0.8593
359 B23 0.8592
360 T3P 0.8590
361 FLF 0.8588
362 LVB 0.8586
363 JGY 0.8584
364 DTR 0.8583
365 3Y7 0.8583
366 GUS 0.8581
367 FQX 0.8580
368 S7S 0.8578
369 NEU 0.8578
370 5TU 0.8577
371 120 0.8576
372 KLV 0.8572
373 27F 0.8569
374 7ZL 0.8568
375 P81 0.8564
376 5BX 0.8552
377 C0V 0.8547
378 68B 0.8540
379 VJJ 0.8533
380 CU8 0.8529
381 121 0.8529
382 0H5 0.8528
383 4NR 0.8520
384 ENG 0.8513
385 HQJ 0.8509
386 KLE 0.8504
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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