Receptor
PDB id Resolution Class Description Source Keywords
4MK1 1.85 Å EC: 7.-.-.- 5-BROMOPYRIDINE-2,3-DIOL BOUND TO INFLUENZA 2009 PH1N1 ENDON 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
EDO A:306;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
27Y A:308;
A:307;
A:309;
 Valid;
Valid;
Valid;
 none;
none;
none;
 ic50 = 16 uM
189.995 C5 H4 Br N O2 C1=C(...
SO4 A:305;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
MN A:301;
A:304;
A:302;
A:303;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
54.938 Mn [Mn+2...
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: 27Y; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 27Y 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 27Y; Similar ligands found: 1023
No: Ligand Similarity coefficient
1 BR9 1.0000
2 4CL 1.0000
3 MWJ 1.0000
4 4JJ 1.0000
5 MZG 1.0000
6 JZ2 0.9999
7 5JC 0.9967
8 MCT 0.9966
9 4HO 0.9959
10 2AC 0.9950
11 A1U 0.9948
12 QOS 0.9946
13 XYD 0.9932
14 XBZ 0.9924
15 PYD 0.9918
16 ICP 0.9918
17 URF 0.9911
18 Y8I 0.9907
19 TH0 0.9906
20 1MC 0.9904
21 MWM 0.9904
22 2YU 0.9904
23 34A 0.9901
24 4ZE 0.9891
25 5MH 0.9889
26 2MP 0.9877
27 TM7 0.9876
28 TDR 0.9860
29 WBU 0.9856
30 HT4 0.9845
31 43M 0.9837
32 5UC 0.9833
33 AHR 0.9823
34 XYP 0.9823
35 4JO 0.9790
36 3ZQ 0.9783
37 TLD 0.9781
38 LXC 0.9770
39 4XR 0.9730
40 3Z7 0.9727
41 1PT 0.9703
42 HEW 0.9685
43 4HS 0.9673
44 KOJ 0.9671
45 IUR 0.9669
46 2MH 0.9669
47 40O 0.9668
48 B3R 0.9666
49 M3T 0.9663
50 CRS 0.9661
51 CIG 0.9651
52 3CH 0.9648
53 FPY 0.9646
54 RCO 0.9641
55 284 0.9626
56 HHQ 0.9624
57 IOL 0.9623
58 LG5 0.9623
59 HGQ 0.9622
60 2CQ 0.9619
61 BML 0.9616
62 CAQ 0.9612
63 4JU 0.9611
64 BVF 0.9610
65 LG3 0.9608
66 4JN 0.9604
67 URA 0.9602
68 26D 0.9596
69 OXE 0.9592
70 T6C 0.9589
71 4ZC 0.9585
72 RIP 0.9585
73 35C 0.9584
74 L89 0.9582
75 XYS 0.9582
76 4CH 0.9579
77 CYT 0.9579
78 PCR 0.9577
79 8GF 0.9576
80 4H2 0.9573
81 F4Z 0.9573
82 PXY 0.9568
83 ZZT 0.9567
84 HQE 0.9564
85 FUC 0.9557
86 HMH 0.9555
87 150 0.9551
88 HX3 0.9549
89 FP2 0.9547
90 ES9 0.9544
91 AMC 0.9544
92 8H8 0.9543
93 8LG 0.9543
94 45C 0.9541
95 BZX 0.9540
96 92Z 0.9540
97 1AN 0.9539
98 LG4 0.9539
99 0MK 0.9539
100 JZ0 0.9535
101 FUL 0.9535
102 2AF 0.9534
103 1WG 0.9531
104 25R 0.9530
105 76X 0.9529
106 NK 0.9526
107 H4N 0.9526
108 93Q 0.9521
109 6AI 0.9519
110 0R0 0.9513
111 FPI 0.9511
112 FK1 0.9510
113 5MI 0.9509
114 GLC 0.9508
115 BEW 0.9504
116 23A 0.9504
117 NSP 0.9504
118 11S 0.9503
119 PLQ 0.9502
120 285 0.9502
121 282 0.9500
122 FYU 0.9499
123 TC7 0.9497
124 7MH 0.9496
125 FPN 0.9493
126 TBP 0.9492
127 JIF 0.9492
128 5MB 0.9488
129 DFU 0.9487
130 JAE 0.9481
131 2CH 0.9477
132 JZ3 0.9475
133 DA1 0.9473
134 24B 0.9472
135 RSF 0.9471
136 DUC 0.9469
137 ARB 0.9469
138 938 0.9468
139 HBA 0.9467
140 HTS 0.9462
141 SYN 0.9460
142 H8N 0.9457
143 1DW 0.9457
144 IDH 0.9453
145 3XX 0.9450
146 0TR 0.9445
147 CYH 0.9443
148 PHB 0.9442
149 7CZ 0.9438
150 F81 0.9437
151 PYG 0.9436
152 14O 0.9431
153 8NY 0.9430
154 H3M 0.9429
155 G6D 0.9429
156 F60 0.9428
157 ABN 0.9427
158 HAI 0.9426
159 HBX 0.9424
160 2K4 0.9423
161 5H1 0.9420
162 YAN 0.9415
163 TH7 0.9415
164 SWD 0.9414
165 DEN 0.9411
166 ADE 0.9411
167 HPA 0.9411
168 TM4 0.9410
169 DFB 0.9406
170 V55 0.9403
171 TMT 0.9402
172 RIB 0.9402
173 CXL 0.9401
174 Q88 0.9397
175 BTE 0.9394
176 4VP 0.9394
177 25W 0.9393
178 PYF 0.9392
179 CWM 0.9392
180 6X8 0.9390
181 3CE 0.9389
182 NOJ 0.9387
183 NBE 0.9386
184 PY7 0.9386
185 4M4 0.9385
186 TMZ 0.9382
187 3MC 0.9382
188 1P7 0.9380
189 S76 0.9380
190 ES0 0.9379
191 2MI 0.9377
192 P3K 0.9371
193 GVH 0.9370
194 1XX 0.9370
195 4JP 0.9368
196 MBD 0.9366
197 0R1 0.9366
198 4XX 0.9366
199 GXE 0.9365
200 6MH 0.9364
201 HPY 0.9364
202 3FA 0.9362
203 JFD 0.9361
204 AX7 0.9358
205 270 0.9358
206 5B1 0.9357
207 ECE 0.9357
208 XXR 0.9356
209 BZF 0.9355
210 9HX 0.9355
211 2CM 0.9354
212 9DA 0.9354
213 DUB 0.9351
214 F05 0.9350
215 9X7 0.9350
216 C2B 0.9347
217 2C9 0.9346
218 J1Z 0.9345
219 GMN 0.9344
220 IND 0.9343
221 LZ1 0.9341
222 ADZ 0.9340
223 C2A 0.9339
224 2MY 0.9338
225 275 0.9336
226 PM6 0.9336
227 XQ0 0.9335
228 BGC 0.9333
229 6MP 0.9328
230 ABE 0.9327
231 4JM 0.9326
232 FFP 0.9325
233 10L 0.9324
234 ABV 0.9323
235 FCA 0.9320
236 BZI 0.9320
237 GCS 0.9319
238 DGJ 0.9317
239 0CT 0.9313
240 0RW 0.9312
241 MPI 0.9311
242 F0J 0.9310
243 7HP 0.9310
244 FLM 0.9309
245 ES4 0.9309
246 IDM 0.9308
247 TTO 0.9307
248 94N 0.9305
249 HIU 0.9305
250 HGW 0.9301
251 GAL 0.9301
252 1MR 0.9300
253 HMU 0.9300
254 286 0.9293
255 9EW 0.9291
256 PIH 0.9291
257 CYS 0.9291
258 HHN 0.9290
259 7WA 0.9289
260 MBN 0.9286
261 EUG 0.9285
262 IFM 0.9284
263 8CL 0.9283
264 IPH 0.9283
265 FUF 0.9280
266 7B4 0.9279
267 FBA 0.9277
268 2DR 0.9276
269 ICC 0.9276
270 JB5 0.9274
271 DTL 0.9269
272 G3F 0.9267
273 4HM 0.9266
274 FCB 0.9266
275 BEZ 0.9266
276 MLT 0.9265
277 SOE 0.9265
278 AZF 0.9263
279 HLR 0.9257
280 SAL 0.9256
281 9CL 0.9255
282 R8A 0.9255
283 2D0 0.9252
284 BP1 0.9251
285 2ZX 0.9250
286 5XC 0.9249
287 8S0 0.9249
288 ISN 0.9248
289 BEN 0.9248
290 WOT 0.9245
291 R2B 0.9244
292 SVN 0.9244
293 2AP 0.9243
294 HVK 0.9243
295 280 0.9242
296 NEQ 0.9238
297 NCA 0.9235
298 F5B 0.9234
299 4AP 0.9233
300 23W 0.9233
301 MB3 0.9233
302 3AP 0.9231
303 6UA 0.9231
304 GYE 0.9231
305 YCP 0.9231
306 ES5 0.9230
307 B53 0.9228
308 YHO 0.9227
309 HRZ 0.9223
310 6M9 0.9223
311 OXZ 0.9222
312 2IM 0.9221
313 AX2 0.9220
314 LZM 0.9219
315 4FS 0.9218
316 5ZE 0.9218
317 1DH 0.9218
318 BR8 0.9217
319 LGA 0.9215
320 3MH 0.9214
321 9PO 0.9214
322 42A 0.9214
323 M1A 0.9213
324 4JL 0.9213
325 I3A 0.9211
326 RM1 0.9211
327 2A9 0.9210
328 2AQ 0.9209
329 G4D 0.9209
330 7HQ 0.9208
331 3HA 0.9207
332 GBD 0.9202
333 BSX 0.9202
334 93K 0.9199
335 261 0.9199
336 OXQ 0.9198
337 2A7 0.9196
338 3DM 0.9196
339 LDP 0.9196
340 82I 0.9195
341 G2F 0.9195
342 OHG 0.9194
343 6M4 0.9194
344 ARA 0.9194
345 SX1 0.9193
346 13X 0.9193
347 KSW 0.9193
348 DTI 0.9190
349 4A3 0.9190
350 NNO 0.9190
351 NOY 0.9190
352 3AY 0.9189
353 NIO 0.9189
354 7W4 0.9188
355 RAM 0.9188
356 JLZ 0.9187
357 INO 0.9187
358 IF7 0.9187
359 5NU 0.9185
360 NBZ 0.9185
361 KKN 0.9183
362 NPY 0.9183
363 QUZ 0.9182
364 3HM 0.9178
365 2XX 0.9177
366 DHB 0.9177
367 FHB 0.9177
368 YTB 0.9175
369 2HO 0.9174
370 2KT 0.9174
371 FE DB1 0.9172
372 BE2 0.9172
373 8GC 0.9172
374 24T 0.9171
375 XM0 0.9170
376 ES7 0.9169
377 4NC 0.9169
378 4CS 0.9169
379 03V 0.9168
380 6HQ 0.9168
381 2FG 0.9168
382 ZZ3 0.9167
383 2EC 0.9165
384 ERH 0.9164
385 EDG 0.9163
386 DBH 0.9163
387 1SQ 0.9162
388 JZ1 0.9162
389 MMZ 0.9162
390 MAK 0.9161
391 XX2 0.9161
392 3F0 0.9161
393 25T 0.9161
394 YH7 0.9160
395 1XM 0.9158
396 LMR 0.9158
397 IFL 0.9155
398 JFJ 0.9155
399 1LQ 0.9154
400 5Q0 0.9154
401 3M0 0.9153
402 1LM 0.9153
403 6CS 0.9153
404 5MK 0.9152
405 FAN 0.9152
406 MZW 0.9152
407 2H5 0.9152
408 ASO 0.9150
409 24W 0.9149
410 DSN 0.9149
411 BP9 0.9148
412 1AB 0.9148
413 COU 0.9148
414 5WV 0.9148
415 9TZ 0.9147
416 R8S 0.9145
417 1NP 0.9144
418 FP1 0.9144
419 LDU 0.9144
420 PEA 0.9143
421 EXO 0.9143
422 JPZ 0.9142
423 N5J 0.9142
424 AC0 0.9142
425 O72 0.9141
426 BOA 0.9141
427 OCH 0.9139
428 5SG 0.9139
429 4YS 0.9139
430 PZA 0.9138
431 ES1 0.9137
432 5IQ 0.9135
433 PYJ 0.9135
434 GTQ 0.9135
435 VAL 0.9135
436 WDL 0.9134
437 HSL 0.9134
438 3U4 0.9133
439 JBH 0.9132
440 54G 0.9131
441 14J 0.9130
442 BCP 0.9130
443 5M0 0.9130
444 3DO 0.9130
445 12M 0.9129
446 5RG 0.9127
447 0CU 0.9126
448 717 0.9126
449 DOB 0.9125
450 6PC 0.9125
451 BAM 0.9125
452 HSE 0.9125
453 ES6 0.9124
454 BHA 0.9123
455 F9Y 0.9122
456 5CU 0.9122
457 5VM 0.9121
458 93B 0.9120
459 3PY 0.9120
460 HQY 0.9120
461 RM4 0.9120
462 JZ9 0.9119
463 H42 0.9118
464 MYJ 0.9117
465 XQG 0.9116
466 67N 0.9115
467 4M0 0.9115
468 RP7 0.9115
469 MFB 0.9115
470 MR1 0.9114
471 DGY 0.9114
472 HY3 0.9114
473 5AC 0.9113
474 GUN 0.9112
475 SER 0.9112
476 DMG 0.9111
477 AZA 0.9110
478 9TW 0.9108
479 V1L 0.9106
480 FQI 0.9104
481 H76 0.9104
482 GAG 0.9102
483 FA0 0.9102
484 CEJ 0.9101
485 L3Q 0.9101
486 OAA 0.9100
487 6AP 0.9099
488 5OB 0.9098
489 7EX 0.9096
490 IT2 0.9095
491 149 0.9095
492 B24 0.9095
493 64K 0.9092
494 9DG 0.9091
495 P9P 0.9089
496 GIV 0.9089
497 M58 0.9087
498 A2Q 0.9086
499 AGK 0.9086
500 CHB 0.9085
501 RNS 0.9084
502 TCZ 0.9083
503 IGA 0.9081
504 ADK 0.9081
505 GLA 0.9080
506 3RK 0.9080
507 2LP 0.9079
508 KIV 0.9079
509 VGL 0.9078
510 DMI 0.9078
511 JBE 0.9078
512 69O 0.9077
513 4SV 0.9077
514 KG7 0.9076
515 3ID 0.9075
516 RSO 0.9074
517 CIZ 0.9074
518 1DU 0.9073
519 60P 0.9072
520 GIF 0.9070
521 DXX 0.9070
522 XAN 0.9070
523 BZ3 0.9069
524 PYC 0.9068
525 1M2 0.9067
526 2CK 0.9067
527 HYN 0.9065
528 NTN 0.9065
529 53C 0.9065
530 SS1 0.9065
531 BTY 0.9063
532 GAB 0.9063
533 3HB 0.9063
534 A2F 0.9062
535 QSB 0.9062
536 47J 0.9060
537 FDB 0.9059
538 FOA 0.9059
539 DTU 0.9059
540 8WT 0.9058
541 APY 0.9057
542 B55 0.9056
543 HH5 0.9054
544 UNU 0.9051
545 8TX 0.9050
546 36R 0.9048
547 LCN 0.9046
548 DX4 0.9046
549 URQ 0.9046
550 5CL 0.9045
551 TP5 0.9045
552 290 0.9043
553 5HN 0.9043
554 278 0.9043
555 DMD 0.9041
556 CWS 0.9041
557 AZG 0.9038
558 3AB 0.9038
559 PRO 0.9038
560 VNJ 0.9037
561 KUF 0.9035
562 9YL 0.9035
563 CXF 0.9035
564 4XH 0.9033
565 QSC 0.9032
566 PZI 0.9031
567 L60 0.9030
568 4AX 0.9030
569 MBG 0.9026
570 3MA 0.9025
571 NIZ 0.9025
572 1P8 0.9024
573 265 0.9023
574 141 0.9023
575 CLW 0.9022
576 MAN 0.9022
577 OVV 0.9022
578 BE7 0.9021
579 NVI 0.9021
580 KT7 0.9020
581 XIX 0.9020
582 PCA 0.9020
583 HH8 0.9018
584 URC 0.9018
585 WCE 0.9016
586 MLI 0.9014
587 XIY 0.9013
588 X6X 0.9011
589 3NT 0.9007
590 2PC 0.9006
591 HSM 0.9005
592 6LW 0.9004
593 KJY 0.9004
594 PBC 0.9001
595 QXW 0.9001
596 NPO 0.9001
597 LRH 0.9000
598 CFP 0.9000
599 1XN 0.9000
600 ET2 0.8999
601 8IG 0.8999
602 BHO 0.8999
603 2BG 0.8998
604 75K 0.8998
605 7VJ 0.8997
606 MZ0 0.8997
607 C5J 0.8996
608 IHB 0.8995
609 ES2 0.8993
610 IMR 0.8993
611 QWN 0.8992
612 MLA 0.8992
613 0P6 0.8991
614 R1X 0.8990
615 1WD 0.8990
616 GXL 0.8988
617 ISE 0.8988
618 RUU 0.8987
619 EV0 0.8985
620 M2H 0.8985
621 GIO 0.8985
622 DIE 0.8984
623 LGC 0.8984
624 GAF 0.8982
625 NMJ 0.8981
626 DMJ 0.8980
627 KYD 0.8980
628 5JL 0.8979
629 Z6J 0.8978
630 MRW 0.8976
631 QBK 0.8975
632 ASN 0.8974
633 FBB 0.8972
634 IPB 0.8971
635 86J 0.8970
636 YRL 0.8967
637 K2T 0.8964
638 JBN 0.8962
639 A7W 0.8961
640 9MG 0.8960
641 ALL 0.8960
642 ASP 0.8960
643 3BZ 0.8959
644 9TY 0.8958
645 P72 0.8958
646 DHK 0.8958
647 5AN 0.8956
648 AC6 0.8956
649 ISZ 0.8955
650 M1E 0.8954
651 JKE 0.8953
652 DAB 0.8952
653 ABA 0.8950
654 0W8 0.8950
655 PBZ 0.8948
656 1GN 0.8947
657 XBT 0.8947
658 2HQ 0.8945
659 TZC 0.8945
660 MNM 0.8945
661 PFB 0.8945
662 PAB 0.8944
663 BRT 0.8941
664 PXL 0.8939
665 XAZ 0.8938
666 4FA 0.8938
667 VNL 0.8938
668 EQT 0.8937
669 BVC 0.8936
670 SMV 0.8936
671 1Y6 0.8936
672 TAR 0.8936
673 B57 0.8933
674 3OC 0.8932
675 PEL 0.8931
676 JAB 0.8930
677 PAF 0.8928
678 3SK 0.8927
679 273 0.8927
680 5JQ 0.8926
681 VOH 0.8924
682 FUB 0.8923
683 LER 0.8921
684 42J 0.8920
685 7WV 0.8920
686 HBD 0.8920
687 GOO 0.8919
688 FRU 0.8919
689 VGD 0.8918
690 8WO 0.8917
691 8CM 0.8916
692 INS 0.8915
693 HHA 0.8913
694 AUD 0.8912
695 PA1 0.8911
696 Z82 0.8909
697 HCS 0.8909
698 F31 0.8907
699 MRY 0.8905
700 WOO 0.8904
701 6F0 0.8901
702 YIO 0.8900
703 4MA 0.8899
704 3Z8 0.8899
705 GXY 0.8898
706 PXM 0.8893
707 TFB 0.8893
708 PE0 0.8892
709 UNC 0.8892
710 O7U 0.8890
711 GRE 0.8890
712 URP 0.8890
713 PZM 0.8890
714 32O 0.8890
715 THR 0.8888
716 FOT 0.8888
717 BMA 0.8886
718 MEW 0.8884
719 ALO 0.8883
720 IV2 0.8883
721 CRN 0.8883
722 AEF 0.8879
723 XRG 0.8878
724 SHG 0.8878
725 DIN 0.8877
726 2ZV 0.8877
727 174 0.8876
728 ZBT 0.8876
729 MET 0.8875
730 MSN 0.8874
731 1P3 0.8873
732 IP0 0.8872
733 FDK 0.8872
734 R8V 0.8871
735 ORO 0.8870
736 260 0.8869
737 SEJ 0.8868
738 BCF 0.8867
739 8ZE 0.8867
740 KBG 0.8866
741 C21 0.8863
742 FBM 0.8862
743 ORN 0.8862
744 CFI 0.8862
745 HVQ 0.8862
746 BBF 0.8861
747 IBF 0.8860
748 4AA 0.8857
749 UGC 0.8857
750 P92 0.8853
751 SWA 0.8852
752 KMT 0.8851
753 6M1 0.8851
754 PRY 0.8850
755 HIO 0.8848
756 GDE 0.8847
757 SHA 0.8846
758 E60 0.8845
759 E7Z 0.8845
760 39A 0.8844
761 95Z 0.8844
762 AZ8 0.8841
763 HY1 0.8841
764 DOR 0.8841
765 4JT 0.8840
766 7WG 0.8840
767 SW7 0.8839
768 7W1 0.8838
769 MWP 0.8838
770 SS2 0.8838
771 12Q 0.8836
772 KJH 0.8836
773 CEE 0.8835
774 JBK 0.8834
775 B2J 0.8833
776 LYL 0.8831
777 CGB 0.8826
778 FPK 0.8826
779 OXC 0.8825
780 KPL 0.8824
781 SR1 0.8823
782 ITN 0.8821
783 Q24 0.8820
784 0JD 0.8818
785 826 0.8817
786 DCY 0.8816
787 XUL 0.8814
788 MAE 0.8813
789 BDF 0.8813
790 I1N 0.8811
791 4XV 0.8810
792 7MU 0.8810
793 F3B 0.8809
794 SKM 0.8809
795 M5K 0.8807
796 BNS 0.8807
797 JZ4 0.8806
798 HFB 0.8805
799 HJP 0.8803
800 A65 0.8801
801 BVG 0.8800
802 SYV 0.8800
803 ICO 0.8800
804 GLU 0.8800
805 AQO 0.8798
806 ZXD 0.8798
807 5QX 0.8797
808 KDV 0.8795
809 UEG 0.8793
810 5RN 0.8791
811 ZWZ 0.8790
812 TZE 0.8789
813 FH2 0.8789
814 DPR 0.8788
815 AFR 0.8787
816 D1X 0.8787
817 DHS 0.8786
818 5WX 0.8786
819 DHR 0.8785
820 HXX 0.8785
821 3SL 0.8785
822 NVA 0.8784
823 SKA 0.8777
824 SJ5 0.8777
825 DQN 0.8776
826 M6N 0.8775
827 RHU 0.8775
828 TFU 0.8775
829 OXL 0.8775
830 4XS 0.8773
831 P2D 0.8772
832 IJZ 0.8772
833 H7Y 0.8771
834 M1Q 0.8769
835 DBB 0.8768
836 FLA 0.8766
837 BDP 0.8765
838 JA8 0.8764
839 PKU 0.8763
840 HQT 0.8763
841 2RA 0.8762
842 DIU 0.8761
843 C2U 0.8760
844 PCI 0.8759
845 J9W 0.8758
846 1U6 0.8757
847 NDM 0.8756
848 MQN 0.8753
849 4HC 0.8753
850 AJ2 0.8753
851 TPA 0.8753
852 6GU 0.8752
853 TTL 0.8752
854 GLF 0.8751
855 42C 0.8750
856 OXM 0.8748
857 DRL 0.8746
858 34D 0.8745
859 4YO 0.8744
860 4Z4 0.8744
861 KIA 0.8742
862 KIB 0.8742
863 MO8 0.8742
864 3IT 0.8742
865 AEH 0.8741
866 3V4 0.8740
867 40E 0.8734
868 ILE 0.8733
869 AW5 0.8733
870 JND 0.8731
871 4P5 0.8730
872 3MT 0.8728
873 0TU 0.8727
874 F9P 0.8726
875 32X 0.8726
876 2AL 0.8726
877 IPZ 0.8724
878 7VS 0.8723
879 QSH 0.8723
880 AAE 0.8720
881 FGZ 0.8720
882 LNR 0.8720
883 M0W 0.8720
884 N2I 0.8719
885 EOL 0.8719
886 G3E 0.8718
887 4SX 0.8715
888 EKZ 0.8713
889 ARW 0.8713
890 Q6T 0.8712
891 1AC 0.8712
892 EA1 0.8710
893 5RO 0.8708
894 0HO 0.8706
895 3R6 0.8704
896 948 0.8704
897 OXD 0.8704
898 MT0 0.8703
899 CTL 0.8701
900 1LN 0.8701
901 4JQ 0.8700
902 6RQ 0.8700
903 DBX 0.8700
904 7NI 0.8698
905 M0Q 0.8698
906 0HN 0.8696
907 KJU 0.8696
908 PHU 0.8692
909 3PF 0.8692
910 G5V 0.8691
911 51F 0.8691
912 HLZ 0.8690
913 M1H 0.8690
914 DIG 0.8689
915 JBQ 0.8689
916 BNF 0.8689
917 SIN 0.8687
918 OVM 0.8686
919 PYR 0.8685
920 NXA 0.8685
921 OK7 0.8682
922 258 0.8681
923 3WA 0.8681
924 1F1 0.8681
925 TLA 0.8680
926 4ZA 0.8679
927 DYA 0.8673
928 M4T 0.8669
929 MRZ 0.8667
930 SRT 0.8665
931 SE2 0.8664
932 4PW 0.8663
933 EYK 0.8661
934 DAS 0.8660
935 LT2 0.8660
936 6NT 0.8659
937 TSS 0.8655
938 ASC 0.8655
939 192 0.8653
940 B62 0.8651
941 N8Y 0.8650
942 HZQ 0.8650
943 AKH 0.8645
944 BAE 0.8645
945 RB5 0.8645
946 TIU 0.8645
947 UY7 0.8644
948 GLT 0.8639
949 3A9 0.8639
950 J5I 0.8636
951 XYL 0.8635
952 ABI 0.8634
953 3NY 0.8634
954 XHP 0.8633
955 B20 0.8633
956 PYZ 0.8633
957 7N0 0.8632
958 AMT 0.8630
959 OTW 0.8629
960 3MB 0.8629
961 0FO 0.8629
962 LFR 0.8628
963 BAQ 0.8628
964 HYP 0.8627
965 PBE 0.8627
966 DBJ 0.8626
967 495 0.8626
968 MUA 0.8626
969 FA1 0.8625
970 HGY 0.8620
971 4MZ 0.8619
972 D48 0.8618
973 IFP 0.8618
974 OW4 0.8614
975 SN4 0.8614
976 QX2 0.8612
977 1DV 0.8612
978 4WL 0.8605
979 SF9 0.8604
980 UAN 0.8603
981 268 0.8600
982 173 0.8597
983 1MZ 0.8596
984 44W 0.8593
985 JZ5 0.8592
986 PRZ 0.8590
987 SFU 0.8590
988 259 0.8588
989 2ZM 0.8587
990 5MP 0.8585
991 X0V 0.8585
992 BYZ 0.8584
993 BNZ 0.8584
994 QWW 0.8582
995 DQU 0.8582
996 0PY 0.8582
997 ATQ 0.8580
998 MR3 0.8580
999 PBR 0.8579
1000 2MZ 0.8579
1001 ADA 0.8579
1002 ANN 0.8577
1003 5KX 0.8573
1004 PYM 0.8572
1005 6NI 0.8570
1006 JZ6 0.8567
1007 HQD 0.8564
1008 ES3 0.8562
1009 JB8 0.8560
1010 AKB 0.8556
1011 MVN 0.8553
1012 5GU 0.8551
1013 QY9 0.8550
1014 FBV 0.8548
1015 271 0.8547
1016 6KX 0.8540
1017 AZ9 0.8538
1018 PHZ 0.8538
1019 YSO 0.8537
1020 3TR 0.8527
1021 PAV 0.8526
1022 GBL 0.8520
1023 APZ 0.8520
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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