Receptor
PDB id Resolution Class Description Source Keywords
4m5r 1.4 Å EC: 7.-.-.- HIGH-RESOLUTION INFLUENZA 2009 H1N1 ENDONUCLEASE BOUND TO 4- IMIDAZOL-1-YL)PHENOL 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
MN A:307;
A:302;
A:303;
A:301;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
54.938 Mn [Mn+2...
MSR A:306;
A:304;
 Valid;
Valid;
 none;
none;
 ic50 = 1000 uM
160.173 C9 H8 N2 O c1cc(...
SO4 A:305;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
EDO A:308;
 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: MSR; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 MSR 1 1
2 3VS 0.487805 0.692308
Similar Ligands (3D)
Ligand no: 1; Ligand: MSR; Similar ligands found: 1069
No: Ligand Similarity coefficient
1 CPZ 1.0000
2 SNU 1.0000
3 TZF 1.0000
4 C1M 1.0000
5 A5E 1.0000
6 36Y 0.9998
7 HDH 0.9847
8 PIM 0.9833
9 PIY 0.9807
10 TYL 0.9801
11 M3H 0.9782
12 KTJ 0.9779
13 2QC 0.9771
14 F4K 0.9761
15 5LA 0.9748
16 HNH 0.9745
17 0BP 0.9744
18 BNL 0.9742
19 F4E 0.9736
20 ICB 0.9727
21 J9N 0.9727
22 BZ2 0.9722
23 AOT 0.9716
24 4WL 0.9716
25 1Z6 0.9714
26 92G 0.9709
27 4ZA 0.9691
28 94W 0.9672
29 AN3 0.9668
30 ESX 0.9662
31 PH3 0.9662
32 2HC 0.9650
33 CWJ 0.9645
34 GVY 0.9644
35 4P5 0.9643
36 PO6 0.9638
37 97T 0.9638
38 HX4 0.9627
39 HNL 0.9617
40 HNK 0.9617
41 1IT 0.9613
42 9CA 0.9610
43 X48 0.9604
44 GVG 0.9604
45 4BL 0.9602
46 UNJ 0.9595
47 5NI 0.9595
48 2HU 0.9595
49 OTR 0.9593
50 36E 0.9592
51 J9Q 0.9591
52 3A9 0.9590
53 IWT 0.9588
54 4BY 0.9586
55 7VP 0.9585
56 6NI 0.9583
57 CH9 0.9581
58 XDK 0.9578
59 TCA 0.9576
60 1F1 0.9575
61 NCT 0.9571
62 0HO 0.9571
63 N2Z 0.9568
64 6FZ 0.9566
65 ANN 0.9565
66 4BZ 0.9565
67 6KT 0.9563
68 PPY 0.9562
69 9FL 0.9559
70 0HN 0.9559
71 DE5 0.9559
72 80G 0.9557
73 PJW 0.9556
74 52C 0.9553
75 XCG 0.9551
76 3ZB 0.9549
77 MPV 0.9549
78 6NT 0.9547
79 XIZ 0.9546
80 JAW 0.9545
81 HIS 0.9545
82 2ZM 0.9541
83 363 0.9539
84 RA7 0.9532
85 C82 0.9529
86 HQJ 0.9526
87 DHI 0.9524
88 HHI 0.9524
89 GZ2 0.9524
90 R20 0.9522
91 BZ3 0.9518
92 4JQ 0.9516
93 ABI 0.9516
94 MQN 0.9515
95 M45 0.9513
96 0NX 0.9512
97 BP7 0.9512
98 PHU 0.9512
99 HHH 0.9512
100 L5V 0.9511
101 NPO 0.9504
102 JDN 0.9504
103 PNZ 0.9504
104 50C 0.9502
105 JF6 0.9502
106 JB8 0.9499
107 HCI 0.9498
108 6TZ 0.9497
109 K34 0.9492
110 E1T 0.9492
111 M4T 0.9489
112 4NB 0.9486
113 ESP 0.9482
114 PHB 0.9481
115 7O4 0.9481
116 4HB 0.9470
117 JAH 0.9468
118 0TU 0.9467
119 OQC 0.9464
120 PAB 0.9464
121 173 0.9464
122 HC4 0.9461
123 JRB 0.9461
124 4LW 0.9461
125 PBZ 0.9456
126 FBB 0.9456
127 1A7 0.9453
128 CLW 0.9453
129 X0U 0.9452
130 4MA 0.9451
131 6SD 0.9450
132 FZM 0.9449
133 826 0.9449
134 K2T 0.9449
135 E5X 0.9444
136 LQ2 0.9443
137 1Y6 0.9443
138 S0E 0.9440
139 SWX 0.9439
140 BPY 0.9438
141 HBD 0.9437
142 GO2 0.9436
143 KDG 0.9435
144 SW7 0.9434
145 4LV 0.9432
146 P72 0.9431
147 174 0.9430
148 5OB 0.9430
149 URO 0.9429
150 AKG 0.9423
151 FK8 0.9423
152 E3X 0.9420
153 TMG 0.9419
154 J6W 0.9418
155 2FY 0.9415
156 AMS 0.9414
157 I3E 0.9413
158 DPN 0.9413
159 L22 0.9411
160 HIC 0.9410
161 SQ7 0.9409
162 C53 0.9408
163 L99 0.9407
164 6FB 0.9407
165 ALE 0.9406
166 RUY 0.9406
167 GWM 0.9404
168 OGA 0.9402
169 N3W 0.9401
170 15N 0.9399
171 LNR 0.9397
172 TYR 0.9397
173 4YO 0.9395
174 Z82 0.9395
175 TIH 0.9392
176 795 0.9390
177 MS9 0.9389
178 BPN 0.9389
179 L03 0.9387
180 3NY 0.9386
181 4V2 0.9385
182 3AE 0.9384
183 P81 0.9384
184 1M2 0.9383
185 LR5 0.9382
186 SNO 0.9381
187 HF2 0.9379
188 A29 0.9377
189 VC3 0.9376
190 TSU 0.9374
191 FBF 0.9372
192 12T 0.9372
193 2F6 0.9369
194 AMH 0.9368
195 0JD 0.9367
196 EN1 0.9367
197 PHE 0.9367
198 ODO 0.9367
199 6RQ 0.9367
200 ET2 0.9366
201 SQ4 0.9365
202 ISZ 0.9364
203 HFA 0.9363
204 2HG 0.9361
205 S7J 0.9356
206 AEG 0.9355
207 M5E 0.9353
208 BHO 0.9352
209 15E 0.9352
210 TT4 0.9351
211 N2I 0.9350
212 1HN 0.9349
213 RNO 0.9344
214 4I8 0.9344
215 2BX 0.9344
216 YZM 0.9344
217 3R4 0.9343
218 8ZE 0.9342
219 L14 0.9340
220 ENO 0.9339
221 S2G 0.9335
222 ES2 0.9333
223 BZJ 0.9332
224 428 0.9331
225 BEA 0.9331
226 36R 0.9330
227 1FD 0.9328
228 NFA 0.9328
229 3VQ 0.9327
230 INO 0.9326
231 DHB 0.9321
232 DZA 0.9320
233 1L5 0.9320
234 NYL 0.9319
235 FCR 0.9319
236 8WO 0.9316
237 CFI 0.9316
238 GJP 0.9316
239 FDR 0.9315
240 9R5 0.9315
241 268 0.9314
242 EVF 0.9312
243 492 0.9310
244 NNO 0.9309
245 9ZE 0.9307
246 4A3 0.9307
247 FBS 0.9307
248 MPK 0.9306
249 1WC 0.9305
250 PAC 0.9302
251 M4S 0.9302
252 5XC 0.9302
253 TGX 0.9301
254 D48 0.9300
255 4RU 0.9300
256 JG8 0.9299
257 GT4 0.9298
258 4NC 0.9298
259 1P8 0.9298
260 FHB 0.9297
261 CK2 0.9294
262 KDV 0.9294
263 4FA 0.9290
264 GF4 0.9288
265 S2P 0.9287
266 YRL 0.9286
267 3PF 0.9286
268 DTY 0.9284
269 FHC 0.9283
270 ESI 0.9280
271 6QF 0.9278
272 JLZ 0.9276
273 TIU 0.9275
274 2HO 0.9274
275 A7H 0.9274
276 XX2 0.9274
277 R2P 0.9273
278 ODK 0.9273
279 56D 0.9272
280 1A5 0.9272
281 HL4 0.9271
282 61M 0.9270
283 I1E 0.9270
284 TYE 0.9269
285 PFF 0.9269
286 4NM 0.9268
287 3HM 0.9266
288 4HP 0.9263
289 G3E 0.9262
290 SE2 0.9257
291 J5I 0.9255
292 D3G 0.9255
293 88L 0.9254
294 93K 0.9254
295 NIZ 0.9254
296 2BG 0.9251
297 EYV 0.9250
298 5TY 0.9248
299 LFC 0.9247
300 CFA 0.9246
301 MYJ 0.9246
302 K97 0.9246
303 AC6 0.9245
304 L13 0.9245
305 DHY 0.9243
306 KBZ 0.9238
307 5QY 0.9238
308 EXD 0.9236
309 ANC 0.9236
310 E7S 0.9232
311 RAT 0.9232
312 ONR 0.9231
313 SHI 0.9231
314 7BC 0.9231
315 CXP 0.9230
316 UA5 0.9228
317 CXH 0.9227
318 AHN 0.9227
319 SV4 0.9227
320 SLS 0.9226
321 9FH 0.9226
322 TYC 0.9224
323 ZEC 0.9224
324 SAN 0.9223
325 SYV 0.9221
326 ZYR 0.9221
327 4J8 0.9220
328 5VM 0.9220
329 HXY 0.9219
330 BZE 0.9219
331 DRG 0.9218
332 HPP 0.9216
333 152 0.9216
334 03V 0.9216
335 QIV 0.9216
336 1XA 0.9214
337 SN4 0.9211
338 8OZ 0.9211
339 TPA 0.9209
340 TAG 0.9207
341 259 0.9206
342 X0V 0.9206
343 VGD 0.9206
344 XIY 0.9204
345 BRH 0.9204
346 IV2 0.9203
347 A9P 0.9202
348 GJZ 0.9201
349 258 0.9201
350 5VL 0.9198
351 4BF 0.9198
352 BQ2 0.9197
353 CHB 0.9196
354 FUD 0.9196
355 MAJ 0.9195
356 OK7 0.9194
357 46P 0.9192
358 LJ3 0.9192
359 P7Y 0.9191
360 6ZX 0.9190
361 COU 0.9189
362 6P3 0.9188
363 IHB 0.9188
364 3C4 0.9188
365 AAS 0.9185
366 LLH 0.9183
367 ANF 0.9182
368 0F9 0.9181
369 OCH 0.9181
370 DGL 0.9180
371 2IT 0.9180
372 2HQ 0.9177
373 F9Y 0.9177
374 54E 0.9176
375 B1J 0.9175
376 GUA 0.9175
377 PPT 0.9174
378 92P 0.9173
379 8HC 0.9173
380 657 0.9173
381 PHI 0.9173
382 8XL 0.9172
383 ES5 0.9171
384 LVD 0.9171
385 NFM 0.9170
386 JB5 0.9170
387 OKG 0.9169
388 4TU 0.9169
389 KTA 0.9168
390 4NZ 0.9168
391 OOG 0.9168
392 BVA 0.9166
393 HDL 0.9166
394 4JC 0.9166
395 2AQ 0.9166
396 4FS 0.9166
397 ZZA 0.9166
398 5WZ 0.9165
399 0FK 0.9165
400 344 0.9164
401 DC5 0.9164
402 AA 0.9163
403 AX7 0.9163
404 8NB 0.9161
405 R9J 0.9161
406 3QV 0.9161
407 86J 0.9159
408 IFP 0.9158
409 DDU 0.9156
410 P9E 0.9156
411 URS 0.9155
412 HRM 0.9154
413 TTL 0.9153
414 8D6 0.9153
415 DGN 0.9152
416 9TW 0.9150
417 P9P 0.9150
418 GLU 0.9147
419 GGL 0.9147
420 GLN 0.9145
421 RKV 0.9145
422 7MW 0.9145
423 SMN 0.9144
424 GRO 0.9142
425 S0W 0.9140
426 H4E 0.9140
427 3VX 0.9139
428 92K 0.9138
429 39O 0.9136
430 PEY 0.9135
431 C2Y 0.9135
432 BNF 0.9135
433 KJH 0.9133
434 J9T 0.9132
435 9FE 0.9132
436 FEH 0.9131
437 M5H 0.9130
438 G14 0.9129
439 K7M 0.9128
440 GCO 0.9126
441 4XF 0.9125
442 B40 0.9124
443 N91 0.9124
444 MXD 0.9123
445 QUS 0.9123
446 FMQ 0.9123
447 HSO 0.9122
448 GOJ 0.9122
449 2FX 0.9122
450 N9J 0.9120
451 E0O 0.9120
452 717 0.9120
453 LR8 0.9120
454 RMN 0.9119
455 FBM 0.9118
456 MAH 0.9117
457 IAC 0.9116
458 36M 0.9116
459 M4E 0.9116
460 LGT 0.9115
461 HA5 0.9115
462 HPS 0.9114
463 DHR 0.9113
464 7W1 0.9113
465 EUE 0.9113
466 NF3 0.9112
467 FTV 0.9112
468 S0D 0.9111
469 SQV 0.9109
470 4FH 0.9109
471 8NX 0.9109
472 JA5 0.9107
473 KTW 0.9107
474 TZM 0.9107
475 QBP 0.9106
476 1KP 0.9106
477 F9P 0.9105
478 12Q 0.9104
479 EQW 0.9104
480 XDE 0.9103
481 68A 0.9101
482 N0Z 0.9099
483 2O6 0.9098
484 DOB 0.9097
485 PQS 0.9097
486 JBZ 0.9097
487 BHA 0.9096
488 M1Z 0.9094
489 QSB 0.9094
490 PKU 0.9094
491 ABV 0.9094
492 P80 0.9093
493 4M0 0.9092
494 HJH 0.9092
495 A7N 0.9090
496 Y3L 0.9090
497 KLE 0.9088
498 NAG 0.9087
499 7OD 0.9087
500 FA0 0.9087
501 CCU 0.9087
502 27B 0.9085
503 5OO 0.9083
504 H42 0.9082
505 MTL 0.9081
506 LO1 0.9081
507 SOR 0.9079
508 NDH 0.9077
509 1VK 0.9077
510 JCZ 0.9077
511 CS2 0.9077
512 N8Y 0.9076
513 FF2 0.9076
514 PRA 0.9075
515 AEF 0.9074
516 3YP 0.9073
517 2LY 0.9073
518 3ID 0.9073
519 2MI 0.9072
520 2FT 0.9071
521 9RW 0.9070
522 LDP 0.9069
523 HHS 0.9069
524 PQM 0.9069
525 JZA 0.9069
526 B2Y 0.9069
527 4SX 0.9068
528 DHC 0.9067
529 K80 0.9064
530 M3E 0.9064
531 QMP 0.9063
532 5CU 0.9063
533 SKM 0.9061
534 2K8 0.9061
535 5QX 0.9060
536 2PV 0.9060
537 N4E 0.9058
538 IOS 0.9058
539 069 0.9057
540 PCS 0.9057
541 K4V 0.9055
542 0W1 0.9054
543 GDE 0.9053
544 S7A 0.9051
545 JA8 0.9050
546 4AA 0.9049
547 EKZ 0.9049
548 GZQ 0.9049
549 E4P 0.9048
550 AM4 0.9047
551 HQT 0.9046
552 7MX 0.9044
553 CXF 0.9042
554 KMY 0.9042
555 PUE 0.9038
556 JMG 0.9037
557 MP5 0.9036
558 EA1 0.9036
559 HBO 0.9034
560 23J 0.9034
561 49F 0.9033
562 5DL 0.9032
563 5NU 0.9032
564 BIK 0.9031
565 GLO 0.9030
566 FQX 0.9029
567 8U3 0.9028
568 1X4 0.9028
569 XRG 0.9028
570 VXX 0.9028
571 RBJ 0.9025
572 CK1 0.9025
573 4NS 0.9023
574 Z5P 0.9023
575 270 0.9020
576 SME 0.9019
577 SSC 0.9019
578 B85 0.9019
579 2PK 0.9017
580 KYN 0.9015
581 3QM 0.9014
582 ALA ALA 0.9014
583 1BN 0.9014
584 L15 0.9013
585 SHA 0.9012
586 LZ5 0.9011
587 DMD 0.9011
588 5H6 0.9010
589 ERZ 0.9006
590 OW7 0.9004
591 7N0 0.9004
592 AES 0.9003
593 78Y 0.9000
594 X11 0.8999
595 5GU 0.8997
596 DHK 0.8997
597 O45 0.8996
598 S8V 0.8995
599 4JT 0.8995
600 QY9 0.8994
601 49O 0.8994
602 5WV 0.8993
603 AY4 0.8991
604 CTL 0.8991
605 3PG 0.8991
606 HWD 0.8989
607 JAE 0.8987
608 KLS 0.8986
609 ATX 0.8985
610 DAH 0.8985
611 2FQ 0.8984
612 IYR 0.8984
613 0FN 0.8983
614 OHJ 0.8983
615 PRL 0.8983
616 W29 0.8982
617 ITE 0.8982
618 XRS 0.8982
619 HG3 0.8980
620 KJU 0.8980
621 S60 0.8980
622 BGU 0.8980
623 F69 0.8980
624 FAN 0.8979
625 5RN 0.8978
626 DHS 0.8977
627 Z13 0.8976
628 4NP 0.8976
629 505 0.8975
630 PH2 0.8975
631 OVM 0.8974
632 PBA 0.8972
633 SKF 0.8972
634 V1T 0.8972
635 ZXD 0.8971
636 650 0.8971
637 THA 0.8969
638 0N7 0.8969
639 AL0 0.8968
640 DAL DAL 0.8967
641 R9S 0.8967
642 86L 0.8965
643 TB8 0.8965
644 3HG 0.8964
645 A5H 0.8960
646 4VY 0.8960
647 UN1 0.8959
648 AJY 0.8959
649 NCA 0.8958
650 FA1 0.8958
651 9NB 0.8957
652 AZ9 0.8957
653 5XB 0.8956
654 OTW 0.8956
655 4CM 0.8955
656 I4B 0.8953
657 30G 0.8951
658 DQU 0.8951
659 FGZ 0.8950
660 UFV 0.8950
661 ES7 0.8950
662 5RO 0.8949
663 2D2 0.8949
664 7MU 0.8947
665 DIN 0.8947
666 MMS 0.8947
667 A2G 0.8946
668 9UL 0.8946
669 PD2 0.8945
670 2AL 0.8945
671 3AL 0.8945
672 SAF 0.8944
673 ICO 0.8944
674 AMQ 0.8944
675 44W 0.8943
676 54Z 0.8940
677 BEN 0.8940
678 HNT 0.8939
679 3VW 0.8938
680 4Z4 0.8936
681 LT2 0.8934
682 PZI 0.8934
683 EE8 0.8933
684 BEZ 0.8932
685 5O6 0.8931
686 449 0.8930
687 6J5 0.8929
688 EOU 0.8928
689 45L 0.8927
690 HHR 0.8927
691 Q06 0.8926
692 LL1 0.8925
693 R9Y 0.8924
694 LSQ 0.8923
695 6HO 0.8923
696 SKA 0.8921
697 GNM 0.8918
698 PNP 0.8915
699 PEA 0.8915
700 8W9 0.8914
701 TWO 0.8912
702 Q02 0.8910
703 QSH 0.8910
704 A7W 0.8910
705 1PS 0.8909
706 KUF 0.8909
707 2K4 0.8909
708 OEG 0.8907
709 2KA 0.8906
710 5TT 0.8906
711 KYA 0.8904
712 KKN 0.8904
713 F60 0.8903
714 M2K 0.8903
715 SEP 0.8901
716 AVI 0.8901
717 GAB 0.8901
718 SSB 0.8898
719 E7Z 0.8898
720 DNF 0.8898
721 9RH 0.8898
722 FYR 0.8898
723 3W8 0.8897
724 11S 0.8897
725 ASC 0.8896
726 QME 0.8895
727 R8V 0.8894
728 MD6 0.8893
729 14O 0.8892
730 QBK 0.8891
731 5MI 0.8890
732 SD4 0.8890
733 ABF 0.8889
734 CN0 0.8889
735 5H1 0.8889
736 F31 0.8888
737 D2G 0.8887
738 IPB 0.8886
739 BP3 0.8886
740 XHP 0.8885
741 A4T 0.8882
742 HBA 0.8881
743 6AI 0.8880
744 AWE 0.8880
745 XQ0 0.8878
746 EGR 0.8877
747 3J8 0.8877
748 K3D 0.8876
749 C0H 0.8876
750 9BF 0.8875
751 K7H 0.8875
752 TRP 0.8875
753 PRF 0.8873
754 HQD 0.8872
755 4FF 0.8872
756 AX3 0.8870
757 VNL 0.8869
758 RP3 0.8869
759 P92 0.8869
760 AAN 0.8868
761 DEZ 0.8867
762 2A9 0.8866
763 KMH 0.8865
764 42J 0.8865
765 8WT 0.8865
766 DVQ 0.8864
767 9FG 0.8863
768 4JE 0.8862
769 DYA 0.8862
770 6ME 0.8861
771 GB5 0.8859
772 4XV 0.8859
773 833 0.8858
774 GLY GLY 0.8857
775 2UB 0.8854
776 XM0 0.8854
777 URC 0.8853
778 4XS 0.8852
779 4MB 0.8852
780 TID 0.8850
781 YPN 0.8849
782 NIO 0.8848
783 B62 0.8847
784 44V 0.8847
785 54X 0.8843
786 0FR 0.8841
787 KF5 0.8841
788 13P 0.8841
789 MRW 0.8840
790 RD4 0.8839
791 67N 0.8839
792 1KN 0.8838
793 0P6 0.8838
794 AMR 0.8837
795 YIE 0.8837
796 CWS 0.8836
797 5MB 0.8835
798 YTX 0.8834
799 FQI 0.8834
800 SOJ 0.8834
801 HJ7 0.8833
802 AJV 0.8833
803 QBS 0.8833
804 QX4 0.8833
805 GZL 0.8833
806 KW8 0.8830
807 OAA 0.8830
808 CLZ 0.8829
809 8CM 0.8827
810 QWN 0.8827
811 LEL 0.8826
812 MVN 0.8825
813 K82 0.8824
814 AC0 0.8824
815 ISN 0.8820
816 MR1 0.8819
817 7W4 0.8819
818 QMR 0.8818
819 I3A 0.8817
820 G3H 0.8816
821 1SA 0.8815
822 QIC 0.8814
823 H4N 0.8814
824 PMF 0.8813
825 PZM 0.8813
826 5GT 0.8812
827 PBC 0.8812
828 DCZ 0.8810
829 5E5 0.8810
830 A5Q 0.8809
831 0VT 0.8809
832 H8N 0.8807
833 Z70 0.8807
834 M78 0.8806
835 FK1 0.8806
836 G12 0.8806
837 B4O 0.8806
838 RKN 0.8806
839 DUR 0.8805
840 OA1 0.8805
841 7Q1 0.8804
842 S7S 0.8802
843 AZM 0.8801
844 PGH 0.8799
845 GP9 0.8799
846 BAM 0.8798
847 X1R 0.8797
848 ES9 0.8796
849 LYS 0.8795
850 JND 0.8794
851 BTM 0.8791
852 XAZ 0.8791
853 BTY 0.8791
854 4VP 0.8790
855 BZQ 0.8790
856 H5B 0.8789
857 KOJ 0.8787
858 THU 0.8786
859 A9K 0.8785
860 MOK 0.8784
861 75K 0.8784
862 AU8 0.8784
863 PXL 0.8782
864 MLT 0.8782
865 89J 0.8781
866 FP1 0.8780
867 A4N 0.8778
868 7WG 0.8775
869 M6W 0.8774
870 A9O 0.8771
871 DQA 0.8770
872 PDC 0.8769
873 HSX 0.8768
874 N8Z 0.8767
875 GTR 0.8766
876 INE 0.8766
877 DS0 0.8765
878 ZME 0.8764
879 6PC 0.8760
880 BDP 0.8759
881 QXW 0.8758
882 IWD 0.8758
883 3DM 0.8758
884 NID 0.8754
885 DNA 0.8754
886 CWD 0.8754
887 ONH 0.8752
888 BZX 0.8752
889 BCK 0.8750
890 LMR 0.8748
891 5JQ 0.8748
892 DXP 0.8747
893 RSO 0.8742
894 GBN 0.8741
895 N7I 0.8741
896 0FO 0.8739
897 0UL 0.8739
898 ASO 0.8739
899 JTH 0.8736
900 9H2 0.8732
901 FWD 0.8732
902 M1A 0.8731
903 64Z 0.8731
904 ASP 0.8729
905 3HB 0.8729
906 2B4 0.8728
907 FBA 0.8725
908 N2Y 0.8724
909 NGA 0.8723
910 NMM 0.8722
911 6J9 0.8721
912 GB4 0.8720
913 3XR 0.8719
914 C2B 0.8719
915 ES0 0.8718
916 CCE 0.8718
917 BGC 0.8718
918 27K 0.8718
919 PLP 0.8717
920 4MU 0.8717
921 G3P 0.8717
922 ADA 0.8716
923 NDG 0.8716
924 3OC 0.8716
925 ZYX 0.8715
926 UNU 0.8715
927 CWM 0.8715
928 FBJ 0.8714
929 NTN 0.8711
930 PRZ 0.8710
931 7ME 0.8709
932 APG 0.8709
933 DER 0.8708
934 DPT 0.8708
935 GDL 0.8708
936 TOF 0.8706
937 2D0 0.8705
938 I2E 0.8702
939 4ME 0.8701
940 8MO 0.8701
941 Y4L 0.8700
942 OW4 0.8698
943 2AK 0.8698
944 MUA 0.8697
945 4FE 0.8695
946 TTY 0.8695
947 BWD 0.8692
948 OVP 0.8689
949 RHU 0.8689
950 22L 0.8689
951 HNM 0.8686
952 GCU 0.8686
953 4JM 0.8686
954 TJM 0.8685
955 8TX 0.8685
956 OMD 0.8684
957 BNS 0.8684
958 TR4 0.8684
959 JP2 0.8683
960 NBZ 0.8681
961 TSS 0.8680
962 ARG 0.8678
963 GPJ 0.8677
964 S0G 0.8676
965 GOE 0.8674
966 A5P 0.8674
967 ZRK 0.8674
968 MIL 0.8674
969 RQD 0.8674
970 EWG 0.8673
971 5HN 0.8672
972 41K 0.8672
973 M6N 0.8671
974 4CS 0.8671
975 TLM 0.8669
976 9GB 0.8668
977 GPF 0.8665
978 HMH 0.8662
979 0SY 0.8662
980 B57 0.8660
981 JGB 0.8658
982 H75 0.8658
983 0OC 0.8653
984 BBK 0.8651
985 SOV 0.8649
986 MUK 0.8648
987 TH7 0.8647
988 3AB 0.8643
989 549 0.8642
990 0OL 0.8640
991 RM1 0.8639
992 ZSP 0.8639
993 CCD 0.8638
994 XBT 0.8638
995 3S5 0.8638
996 BPU 0.8637
997 Q88 0.8637
998 VM1 0.8637
999 FA3 0.8637
1000 4JL 0.8636
1001 COI 0.8635
1002 CSN 0.8635
1003 OVV 0.8635
1004 4FC 0.8633
1005 IS2 0.8632
1006 6MW 0.8631
1007 L1T 0.8631
1008 SS1 0.8631
1009 5GV 0.8629
1010 F02 0.8629
1011 ZBT 0.8629
1012 M6Z 0.8628
1013 3Z8 0.8627
1014 3HP 0.8625
1015 VGL 0.8625
1016 NM2 0.8625
1017 SNV 0.8624
1018 ROI 0.8620
1019 XRX 0.8620
1020 261 0.8620
1021 4XR 0.8620
1022 53C 0.8619
1023 PZA 0.8619
1024 28A 0.8615
1025 9SE 0.8614
1026 WCE 0.8613
1027 MET 0.8612
1028 ZHA 0.8609
1029 AJ2 0.8608
1030 PEP 0.8607
1031 2GQ 0.8606
1032 DE3 0.8606
1033 7WR 0.8605
1034 3NT 0.8603
1035 8GC 0.8602
1036 FER 0.8602
1037 PMB 0.8600
1038 14J 0.8600
1039 PQ0 0.8600
1040 SRO 0.8597
1041 1P7 0.8594
1042 57O 0.8594
1043 4KL 0.8592
1044 8K2 0.8588
1045 DBH 0.8587
1046 H4B 0.8586
1047 209 0.8585
1048 CP6 0.8581
1049 DX3 0.8580
1050 FOM 0.8574
1051 NSP 0.8573
1052 6HX 0.8573
1053 3SL 0.8572
1054 FB2 0.8570
1055 GLC 0.8566
1056 XI7 0.8566
1057 YCP 0.8565
1058 3HA 0.8562
1059 BRT 0.8558
1060 1CY 0.8555
1061 OHP 0.8554
1062 FBW 0.8552
1063 FUM 0.8552
1064 DEE 0.8547
1065 YE6 0.8546
1066 KT7 0.8538
1067 BIO 0.8535
1068 RYV 0.8530
1069 KP2 0.8527
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
APoc FAQ
Feedback