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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 14 families. | |||||
1 | 6QXU | ic50 = 7 nM | JKN | C17 H14 F2 N2 O2 | CC(C)(c1cc.... |
2 | 3UDD | - | 34M | C20 H19 N5 O3 S | Cc1nnc(n1c.... |
3 | 4W6E | ic50 < 0.003 uM | 3J5 | C27 H29 N5 O2 | Cc1cc(ncc1.... |
4 | 4MSK | ic50 = 0.063 uM | 2C8 | C25 H19 N5 O3 | c1ccc(cc1).... |
5 | 4OA7 | - | 2XS | C25 H19 N3 O3 | c1cc2cccnc.... |
6 | 4K4E | - | K4E | C22 H25 Cl N4 O3 | COc1ccc(cc.... |
7 | 4N4V | ic50 = 0.002 uM | 2GY | C26 H29 N5 O2 | CC1([C@@H].... |
8 | 5ECE | ic50 = 9 nM | 5N2 | C26 H22 N6 O2 | c1ccc2c(c1.... |
9 | 4TOR | - | IW8 | C25 H28 Br N3 O4 S | CCN(c1cccc.... |
10 | 3UH4 | ic50 = 0.011 uM | XAV | C14 H11 F3 N2 O S | c1cc(ccc1c.... |
11 | 4I9I | ic50 = 0.008 uM | 1DY | C25 H22 N4 O4 | COc1ccccc1.... |
12 | 4DVI | - | 2IW | C26 H21 N3 O3 | Cc1ccnc2c1.... |
13 | 4LI6 | - | 1XO | C23 H21 N3 O2 S | c1ccc(cc1).... |
14 | 4MSG | ic50 = 0.1 nM | 2C6 | C25 H25 N5 O3 S | c1ccc(cc1).... |
15 | 3UH2 | ic50 = 1 uM | P34 | C17 H17 N3 O2 | CN(C)CC(=O.... |
16 | 5EBT | - | 5N8 | C23 H17 F5 N6 O2 | C[C@H]1Cn2.... |
17 | 4MT9 | ic50 = 0.1 nM | 2D6 | C24 H24 N4 O3 S | c1ccc2c(c1.... |
18 | 4N4T | ic50 = 0.049 uM | 2GV | C26 H23 N5 O2 | CC1([C@@H].... |
19 | 4N3R | ic50 = 0.15 uM | 2GU | C26 H22 F N5 O2 | CC1(CC(=O).... |
20 | 4LI7 | - | 1XP | C23 H23 Cl F N3 O3 | COc1cc(c(c.... |
21 | 4KRS | ic50 = 0.299 uM | 1SX | C15 H18 N4 O S | CC(C)(C)c1.... |
22 | 4TOS | - | 355 | C33 H33 N5 O4 | CC1=CC=CC2.... |
23 | 4BUV | ic50 = 21 nM | 16I | C19 H13 N3 O2 S | c1ccc2c(c1.... |
24 | 4BJ9 | ic50 = 45 nM | UHB | C24 H27 N9 O6 | c1cc2c(c(c.... |
25 | 4BU3 | ic50 = 59 nM | F40 | C14 H10 N2 O | c1ccc(cc1).... |
26 | 3P0Q | - | NNL | C14 H14 Cl N5 | Cc1cc(c2nn.... |
27 | 4UFU | ic50 = 10 nM | 2ZI | C16 H11 F3 N2 O | Cc1cccc2c1.... |
28 | 4UVX | ic50 = 11 nM | H2W | C15 H9 Cl F N O | c1cc2c(c(c.... |
29 | 4UFY | ic50 = 7 nM | M3W | C16 H14 N2 O | Cc1ccc(cc1.... |
30 | 4BJC | ic50 = 14 nM | RPB | C19 H18 F N3 O | CNCc1ccc(c.... |
31 | 4UVZ | - | 5NN | C15 H12 N2 O | c1ccc(cc1).... |
32 | 5AEH | ic50 = 0.037 uM | 8IR | C25 H19 Cl N4 O3 | COc1ccc(cc.... |
33 | 4UVV | ic50 = 32 nM | W8L | C16 H12 Cl N O | Cc1cccc2c1.... |
34 | 5OWT | - | F37 | C18 H14 N4 O3 | C[C@@]1(C(.... |
35 | 4UHG | ic50 = 540 nM | SZ5 | C15 H12 N2 O | Cc1ccc(cc1.... |
36 | 4UVY | ic50 = 5.5 nM | SGW | C16 H12 Cl N O2 | COc1cccc2c.... |
37 | 5NUT | ic50 = 12 nM | 9A8 | C17 H16 N2 O2 | CC(C)Oc1cc.... |
38 | 4BU8 | ic50 = 28 nM | 27F | C15 H9 N3 O | c1ccc2c(c1.... |
39 | 4UVW | ic50 = 19 nM | NYJ | C17 H15 N O | Cc1cccc2c1.... |
40 | 5NOB | ic50 = 0.0063 uM | 92T | C24 H17 Cl N8 O | c1ccc(c(c1.... |
41 | 4BUX | ic50 = 34 nM | F35 | C18 H14 N4 O3 | c1ccc2c(c1.... |
42 | 4BJB | ic50 = 219 nM | P34 | C17 H17 N3 O2 | CN(C)CC(=O.... |
43 | 3P0N | - | BPU | C11 H7 Br N2 O | c1cc2n(c1).... |
44 | 3U9Y | - | 09L | C24 H23 F N4 O3 | c1ccc2c(c1.... |
45 | 5AL5 | ic50 = 71 nM | JL9 | C18 H23 N5 O | c1cnccc1CN.... |
46 | 4BUW | ic50 = 15 nM | F33 | C17 H13 N3 O3 | c1ccc2c(c1.... |
47 | 4UVT | - | G1O | C10 H10 N2 O | CC1=CNC(=O.... |
48 | 4BUE | ic50 = 71 nM | JQF | C19 H19 N3 O2 | CC(C)CC(=O.... |
49 | 5AL4 | ic50 = 300 nM | WLH | C13 H20 N4 O | CN1CCN(CC1.... |
50 | 4W5I | ic50 = 97 nM | 3GX | C15 H16 N2 O | CN1CCCC2=C.... |
51 | 4BUD | ic50 = 5 nM | 29F | C18 H18 N2 O | CC(C)(C)c1.... |
52 | 4BFP | - | SWY | C29 H23 N5 O3 S | COc1ccc(cc.... |
53 | 4UVU | ic50 = 1200 nM | U1T | C21 H22 N2 O | Cc1cccc2c1.... |
54 | 5AKW | ic50 = 410 nM | NKI | C14 H11 Cl N2 O | c1ccc2c(c1.... |
55 | 5AL2 | ic50 = 360 nM | O53 | C16 H17 N3 O | CC(C)c1ccc.... |
56 | 4BS4 | ic50 = 72 nM | A64 | C18 H16 O2 | CC(C)c1ccc.... |
57 | 5AL3 | ic50 = 11000 nM | TGW | C14 H11 Cl2 N3 O | CN1c2c(ccc.... |
58 | 4UVN | - | CDJ | C15 H11 Cl N2 O | c1cc2c(c(c.... |
59 | 4BUS | ic50 = 176 nM | 32F | C16 H12 N2 O4 | c1ccc2c(c1.... |
60 | 3KR8 | Kd = 8 nM | XAV | C14 H11 F3 N2 O S | c1cc(ccc1c.... |
61 | 4M7B | ic50 = 200 nM | 28C | C14 H15 N5 O | Cc1cc(c2nn.... |
62 | 5AL1 | ic50 = 53000 nM | GN5 | C17 H19 N3 O | CC(C)(C)c1.... |
63 | 4BUU | ic50 = 56 nM | F38 | C15 H13 N3 O3 S | c1ccc2c(c1.... |
64 | 4UVS | - | R4E | C14 H18 N2 O | CCCCCC1=Cc.... |
65 | 4BUY | ic50 = 5 nM | F37 | C18 H14 N4 O3 | C[C@@]1(C(.... |
66 | 4UVO | - | 5WW | C16 H14 N2 O2 | COc1ccc(cc.... |
67 | 4BU9 | ic50 = 9 nM | 08C | C15 H12 N2 O2 | COc1ccc(cc.... |
68 | 5OWS | - | KC8 | C18 H16 N4 O2 | C[C@@]1(CN.... |
69 | 3P0P | - | NNF | C15 H17 F N4 O | CC1=CC(=O).... |
70 | 4BU6 | ic50 = 73 nM | RGK | C14 H11 N3 O | c1ccc2c(c1.... |
71 | 3MHJ | - | M3F | C14 H9 F3 N2 O | Cc1cc(nc2c.... |
72 | 4UVL | - | 32X | C9 H8 N2 O | c1cc2c(c(c.... |
73 | 4BUF | ic50 = 38 nM | F36 | C16 H12 N2 O2 | CC(=O)c1cc.... |
74 | 5AKU | ic50 = 150 nM | 29F | C18 H18 N2 O | CC(C)(C)c1.... |
75 | 4BUA | ic50 = 35 nM | 91F | C15 H12 N2 O S | CSc1ccc(cc.... |
76 | 4BU5 | ic50 = 102 nM | 3F4 | C14 H10 N2 O2 | c1ccc2c(c1.... |
77 | 4UX4 | - | E9L | C16 H15 N2 O | Cc1ccc(cc1.... |
78 | 4BU7 | ic50 = 11 nM | 25F | C14 H9 Br N2 O | c1ccc2c(c1.... |
79 | 3U9H | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
80 | 3UA9 | - | IWR | C25 H19 N3 O3 | c1cc2cccnc.... |
81 | 4BUT | ic50 = 12 nM | 31F | C14 H11 N3 O3 S | c1ccc2c(c1.... |
82 | 4BUI | ic50 = 23 nM | W2E | C16 H12 N2 O3 | COC(=O)c1c.... |
83 | 4J1Z | - | 495 | C8 H5 Cl N2 O | c1ccc2c(c1.... |
84 | 4J22 | Kd = 0.018 uM | AJ7 | C23 H24 Cl N3 O3 | CC1=CC(=O).... |
85 | 4J3L | Kd = 0.016 uM | AJ5 | C20 H19 Cl N2 O3 | CC1=CC(=O).... |
86 | 3MHK | - | P4L | C12 H11 N3 O S | c1ccnc(c1).... |
87 | 4J3M | ic50 = 0.021 uM | AJ8 | C17 H12 Cl N O3 | CC1=CC(=O).... |
88 | 4IUE | Kd = 0.28 uM | AJ4 | C16 H12 F N O | CC1=CC(=O).... |
89 | 4J21 | Kd = 0.039 uM | AJ6 | C16 H13 Cl N2 O | CC1=CC(=O).... |
90 | 3W51 | ic50 = 12 uM | AJ2 | C10 H9 N O | Cc1cc(nc2c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 6QXU | ic50 = 7 nM | JKN | C17 H14 F2 N2 O2 | CC(C)(c1cc.... |
2 | 3UDD | - | 34M | C20 H19 N5 O3 S | Cc1nnc(n1c.... |
3 | 4W6E | ic50 < 0.003 uM | 3J5 | C27 H29 N5 O2 | Cc1cc(ncc1.... |
4 | 4MSK | ic50 = 0.063 uM | 2C8 | C25 H19 N5 O3 | c1ccc(cc1).... |
5 | 4OA7 | - | 2XS | C25 H19 N3 O3 | c1cc2cccnc.... |
6 | 4K4E | - | K4E | C22 H25 Cl N4 O3 | COc1ccc(cc.... |
7 | 4N4V | ic50 = 0.002 uM | 2GY | C26 H29 N5 O2 | CC1([C@@H].... |
8 | 5ECE | ic50 = 9 nM | 5N2 | C26 H22 N6 O2 | c1ccc2c(c1.... |
9 | 4TOR | - | IW8 | C25 H28 Br N3 O4 S | CCN(c1cccc.... |
10 | 3UH4 | ic50 = 0.011 uM | XAV | C14 H11 F3 N2 O S | c1cc(ccc1c.... |
11 | 4I9I | ic50 = 0.008 uM | 1DY | C25 H22 N4 O4 | COc1ccccc1.... |
12 | 4DVI | - | 2IW | C26 H21 N3 O3 | Cc1ccnc2c1.... |
13 | 4LI6 | - | 1XO | C23 H21 N3 O2 S | c1ccc(cc1).... |
14 | 4MSG | ic50 = 0.1 nM | 2C6 | C25 H25 N5 O3 S | c1ccc(cc1).... |
15 | 3UH2 | ic50 = 1 uM | P34 | C17 H17 N3 O2 | CN(C)CC(=O.... |
16 | 5EBT | - | 5N8 | C23 H17 F5 N6 O2 | C[C@H]1Cn2.... |
17 | 4MT9 | ic50 = 0.1 nM | 2D6 | C24 H24 N4 O3 S | c1ccc2c(c1.... |
18 | 4N4T | ic50 = 0.049 uM | 2GV | C26 H23 N5 O2 | CC1([C@@H].... |
19 | 4N3R | ic50 = 0.15 uM | 2GU | C26 H22 F N5 O2 | CC1(CC(=O).... |
20 | 4LI7 | - | 1XP | C23 H23 Cl F N3 O3 | COc1cc(c(c.... |
21 | 4KRS | ic50 = 0.299 uM | 1SX | C15 H18 N4 O S | CC(C)(C)c1.... |
22 | 4TOS | - | 355 | C33 H33 N5 O4 | CC1=CC=CC2.... |
23 | 4BUV | ic50 = 21 nM | 16I | C19 H13 N3 O2 S | c1ccc2c(c1.... |
24 | 4BJ9 | ic50 = 45 nM | UHB | C24 H27 N9 O6 | c1cc2c(c(c.... |
25 | 4BU3 | ic50 = 59 nM | F40 | C14 H10 N2 O | c1ccc(cc1).... |
26 | 3P0Q | - | NNL | C14 H14 Cl N5 | Cc1cc(c2nn.... |
27 | 4UFU | ic50 = 10 nM | 2ZI | C16 H11 F3 N2 O | Cc1cccc2c1.... |
28 | 4UVX | ic50 = 11 nM | H2W | C15 H9 Cl F N O | c1cc2c(c(c.... |
29 | 4UFY | ic50 = 7 nM | M3W | C16 H14 N2 O | Cc1ccc(cc1.... |
30 | 4BJC | ic50 = 14 nM | RPB | C19 H18 F N3 O | CNCc1ccc(c.... |
31 | 4UVZ | - | 5NN | C15 H12 N2 O | c1ccc(cc1).... |
32 | 5AEH | ic50 = 0.037 uM | 8IR | C25 H19 Cl N4 O3 | COc1ccc(cc.... |
33 | 4UVV | ic50 = 32 nM | W8L | C16 H12 Cl N O | Cc1cccc2c1.... |
34 | 5OWT | - | F37 | C18 H14 N4 O3 | C[C@@]1(C(.... |
35 | 4UHG | ic50 = 540 nM | SZ5 | C15 H12 N2 O | Cc1ccc(cc1.... |
36 | 4UVY | ic50 = 5.5 nM | SGW | C16 H12 Cl N O2 | COc1cccc2c.... |
37 | 5NUT | ic50 = 12 nM | 9A8 | C17 H16 N2 O2 | CC(C)Oc1cc.... |
38 | 4BU8 | ic50 = 28 nM | 27F | C15 H9 N3 O | c1ccc2c(c1.... |
39 | 4UVW | ic50 = 19 nM | NYJ | C17 H15 N O | Cc1cccc2c1.... |
40 | 5NOB | ic50 = 0.0063 uM | 92T | C24 H17 Cl N8 O | c1ccc(c(c1.... |
41 | 4BUX | ic50 = 34 nM | F35 | C18 H14 N4 O3 | c1ccc2c(c1.... |
42 | 4BJB | ic50 = 219 nM | P34 | C17 H17 N3 O2 | CN(C)CC(=O.... |
43 | 3P0N | - | BPU | C11 H7 Br N2 O | c1cc2n(c1).... |
44 | 3U9Y | - | 09L | C24 H23 F N4 O3 | c1ccc2c(c1.... |
45 | 5AL5 | ic50 = 71 nM | JL9 | C18 H23 N5 O | c1cnccc1CN.... |
46 | 4BUW | ic50 = 15 nM | F33 | C17 H13 N3 O3 | c1ccc2c(c1.... |
47 | 4UVT | - | G1O | C10 H10 N2 O | CC1=CNC(=O.... |
48 | 4BUE | ic50 = 71 nM | JQF | C19 H19 N3 O2 | CC(C)CC(=O.... |
49 | 5AL4 | ic50 = 300 nM | WLH | C13 H20 N4 O | CN1CCN(CC1.... |
50 | 4W5I | ic50 = 97 nM | 3GX | C15 H16 N2 O | CN1CCCC2=C.... |
51 | 4BUD | ic50 = 5 nM | 29F | C18 H18 N2 O | CC(C)(C)c1.... |
52 | 4BFP | - | SWY | C29 H23 N5 O3 S | COc1ccc(cc.... |
53 | 4UVU | ic50 = 1200 nM | U1T | C21 H22 N2 O | Cc1cccc2c1.... |
54 | 5AKW | ic50 = 410 nM | NKI | C14 H11 Cl N2 O | c1ccc2c(c1.... |
55 | 5AL2 | ic50 = 360 nM | O53 | C16 H17 N3 O | CC(C)c1ccc.... |
56 | 4BS4 | ic50 = 72 nM | A64 | C18 H16 O2 | CC(C)c1ccc.... |
57 | 5AL3 | ic50 = 11000 nM | TGW | C14 H11 Cl2 N3 O | CN1c2c(ccc.... |
58 | 4UVN | - | CDJ | C15 H11 Cl N2 O | c1cc2c(c(c.... |
59 | 4BUS | ic50 = 176 nM | 32F | C16 H12 N2 O4 | c1ccc2c(c1.... |
60 | 3KR8 | Kd = 8 nM | XAV | C14 H11 F3 N2 O S | c1cc(ccc1c.... |
61 | 4M7B | ic50 = 200 nM | 28C | C14 H15 N5 O | Cc1cc(c2nn.... |
62 | 5AL1 | ic50 = 53000 nM | GN5 | C17 H19 N3 O | CC(C)(C)c1.... |
63 | 4BUU | ic50 = 56 nM | F38 | C15 H13 N3 O3 S | c1ccc2c(c1.... |
64 | 4UVS | - | R4E | C14 H18 N2 O | CCCCCC1=Cc.... |
65 | 4BUY | ic50 = 5 nM | F37 | C18 H14 N4 O3 | C[C@@]1(C(.... |
66 | 4UVO | - | 5WW | C16 H14 N2 O2 | COc1ccc(cc.... |
67 | 4BU9 | ic50 = 9 nM | 08C | C15 H12 N2 O2 | COc1ccc(cc.... |
68 | 5OWS | - | KC8 | C18 H16 N4 O2 | C[C@@]1(CN.... |
69 | 3P0P | - | NNF | C15 H17 F N4 O | CC1=CC(=O).... |
70 | 4BU6 | ic50 = 73 nM | RGK | C14 H11 N3 O | c1ccc2c(c1.... |
71 | 3MHJ | - | M3F | C14 H9 F3 N2 O | Cc1cc(nc2c.... |
72 | 4UVL | - | 32X | C9 H8 N2 O | c1cc2c(c(c.... |
73 | 4BUF | ic50 = 38 nM | F36 | C16 H12 N2 O2 | CC(=O)c1cc.... |
74 | 5AKU | ic50 = 150 nM | 29F | C18 H18 N2 O | CC(C)(C)c1.... |
75 | 4BUA | ic50 = 35 nM | 91F | C15 H12 N2 O S | CSc1ccc(cc.... |
76 | 4BU5 | ic50 = 102 nM | 3F4 | C14 H10 N2 O2 | c1ccc2c(c1.... |
77 | 4UX4 | - | E9L | C16 H15 N2 O | Cc1ccc(cc1.... |
78 | 4BU7 | ic50 = 11 nM | 25F | C14 H9 Br N2 O | c1ccc2c(c1.... |
79 | 3U9H | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
80 | 3UA9 | - | IWR | C25 H19 N3 O3 | c1cc2cccnc.... |
81 | 4BUT | ic50 = 12 nM | 31F | C14 H11 N3 O3 S | c1ccc2c(c1.... |
82 | 4BUI | ic50 = 23 nM | W2E | C16 H12 N2 O3 | COC(=O)c1c.... |
83 | 3SE2 | - | LDR | C13 H9 N O | c1ccc2c(c1.... |
84 | 6FYM | - | EBB | C15 H14 N4 O S | Cc1ccc2c(c.... |
85 | 5V7T | ic50 = 610 nM | 91V | C27 H32 N6 O | c1ccc(cc1).... |
86 | 3SMJ | - | FDR | C10 H10 N2 O S | CC1=Nc2c(c.... |
87 | 4F1L | - | 0RY | C11 H10 N2 O4 | c1cc(cc(c1.... |
88 | 4J1Z | - | 495 | C8 H5 Cl N2 O | c1ccc2c(c1.... |
89 | 4J22 | Kd = 0.018 uM | AJ7 | C23 H24 Cl N3 O3 | CC1=CC(=O).... |
90 | 4J3L | Kd = 0.016 uM | AJ5 | C20 H19 Cl N2 O3 | CC1=CC(=O).... |
91 | 3MHK | - | P4L | C12 H11 N3 O S | c1ccnc(c1).... |
92 | 4J3M | ic50 = 0.021 uM | AJ8 | C17 H12 Cl N O3 | CC1=CC(=O).... |
93 | 4IUE | Kd = 0.28 uM | AJ4 | C16 H12 F N O | CC1=CC(=O).... |
94 | 4J21 | Kd = 0.039 uM | AJ6 | C16 H13 Cl N2 O | CC1=CC(=O).... |
95 | 3W51 | ic50 = 12 uM | AJ2 | C10 H9 N O | Cc1cc(nc2c.... |
96 | 6EK3 | - | OUL | C14 H12 N2 O3 | c1cc(ccc1C.... |
97 | 4F0E | - | 0RU | C14 H12 N4 O S | Cc1cccc2c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | F36 | 1 | 1 |
2 | W2E | 0.728814 | 0.857143 |
3 | 08C | 0.684211 | 0.878049 |
4 | 91F | 0.678571 | 0.809524 |
5 | SZ5 | 0.678571 | 0.918919 |
6 | 25F | 0.660714 | 0.804878 |
7 | 29F | 0.655172 | 0.829268 |
8 | RGK | 0.649123 | 0.825 |
9 | 3F4 | 0.649123 | 0.853659 |
10 | F40 | 0.636364 | 0.891892 |
11 | 9A8 | 0.629032 | 0.837209 |
12 | 9AQ | 0.629032 | 0.818182 |
13 | 06R | 0.627119 | 0.785714 |
14 | 27F | 0.616667 | 0.868421 |
15 | 32F | 0.606061 | 0.705882 |
16 | 9C8 | 0.603175 | 0.708333 |
17 | 9AW | 0.587302 | 0.868421 |
18 | JQF | 0.571429 | 0.765957 |
19 | F37 | 0.567164 | 0.679245 |
20 | 9B2 | 0.560606 | 0.66 |
21 | 9C5 | 0.558824 | 0.603448 |
22 | 97Z | 0.552239 | 0.618182 |
23 | KC8 | 0.550725 | 0.642857 |
24 | 16I | 0.534247 | 0.777778 |
25 | 97H | 0.515625 | 0.804878 |
26 | 9AN | 0.507692 | 0.833333 |
27 | RJN | 0.493671 | 0.686275 |
28 | 9CE | 0.491803 | 0.75 |
29 | 97K | 0.465753 | 0.717391 |
30 | MEW | 0.423729 | 0.864865 |
31 | AQO | 0.4 | 0.681818 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | A64 | 0.9955 |
2 | 1UT | 0.9952 |
3 | 1UR | 0.9946 |
4 | 1V0 | 0.9942 |
5 | 1UZ | 0.9809 |
6 | A63 | 0.9808 |
7 | O53 | 0.9750 |
8 | 31F | 0.9730 |
9 | 2ZI | 0.9669 |
10 | F08 | 0.9667 |
11 | IY5 | 0.9643 |
12 | XAV | 0.9636 |
13 | NKI | 0.9585 |
14 | A73 | 0.9569 |
15 | 1V1 | 0.9568 |
16 | 5WW | 0.9560 |
17 | 1UW | 0.9555 |
18 | 1V8 | 0.9548 |
19 | GN5 | 0.9531 |
20 | 20D | 0.9510 |
21 | 72H | 0.9485 |
22 | DFL | 0.9474 |
23 | CDJ | 0.9449 |
24 | H2W | 0.9445 |
25 | E9L | 0.9439 |
26 | W8L | 0.9436 |
27 | M3W | 0.9433 |
28 | JKN | 0.9429 |
29 | VT3 | 0.9425 |
30 | 1VG | 0.9419 |
31 | 338 | 0.9406 |
32 | 5TU | 0.9405 |
33 | 0NJ | 0.9367 |
34 | J8D | 0.9357 |
35 | TVZ | 0.9357 |
36 | O9T | 0.9345 |
37 | WLH | 0.9345 |
38 | ECZ | 0.9321 |
39 | 7FC | 0.9309 |
40 | WF4 | 0.9306 |
41 | 124 | 0.9304 |
42 | U4J | 0.9287 |
43 | NAR | 0.9285 |
44 | 3G5 | 0.9282 |
45 | AGI | 0.9269 |
46 | 135 | 0.9263 |
47 | M16 | 0.9262 |
48 | 1HP | 0.9251 |
49 | G2V | 0.9245 |
50 | TFX | 0.9244 |
51 | 120 | 0.9242 |
52 | DFV | 0.9242 |
53 | O9Z | 0.9234 |
54 | IDZ | 0.9229 |
55 | CR4 | 0.9229 |
56 | 2JP | 0.9223 |
57 | 801 | 0.9220 |
58 | 907 | 0.9216 |
59 | SNP | 0.9215 |
60 | F1T | 0.9207 |
61 | NU3 | 0.9204 |
62 | 1R5 | 0.9201 |
63 | MRE | 0.9193 |
64 | 6BK | 0.9193 |
65 | SGW | 0.9189 |
66 | OSY | 0.9184 |
67 | L43 | 0.9183 |
68 | BMZ | 0.9161 |
69 | 5XM | 0.9145 |
70 | B7H | 0.9143 |
71 | MR4 | 0.9139 |
72 | F70 | 0.9135 |
73 | J2W | 0.9134 |
74 | 802 | 0.9126 |
75 | HRD | 0.9122 |
76 | S1C | 0.9120 |
77 | 2UV | 0.9114 |
78 | J45 | 0.9113 |
79 | LU2 | 0.9111 |
80 | BJ4 | 0.9108 |
81 | GA6 | 0.9106 |
82 | ZTW | 0.9103 |
83 | 697 | 0.9093 |
84 | 334 | 0.9091 |
85 | KMP | 0.9091 |
86 | 8M5 | 0.9088 |
87 | 6T5 | 0.9086 |
88 | F38 | 0.9081 |
89 | MR5 | 0.9070 |
90 | 5ZM | 0.9070 |
91 | JL7 | 0.9068 |
92 | FBC | 0.9066 |
93 | S98 | 0.9060 |
94 | 7LU | 0.9060 |
95 | 6JP | 0.9058 |
96 | LZ7 | 0.9058 |
97 | AO | 0.9057 |
98 | DX8 | 0.9056 |
99 | D64 | 0.9056 |
100 | 55H | 0.9053 |
101 | LI7 | 0.9047 |
102 | MBT | 0.9036 |
103 | 121 | 0.9036 |
104 | 272 | 0.9034 |
105 | 8E3 | 0.9032 |
106 | 122 | 0.9027 |
107 | 196 | 0.9026 |
108 | 72G | 0.9020 |
109 | CWE | 0.9018 |
110 | 3K1 | 0.9018 |
111 | GEN | 0.9017 |
112 | 3TI | 0.9016 |
113 | ZAR | 0.9011 |
114 | 2WU | 0.9005 |
115 | NPZ | 0.9005 |
116 | 397 | 0.9001 |
117 | QUE | 0.9000 |
118 | X2L | 0.8998 |
119 | F18 | 0.8996 |
120 | BUX | 0.8995 |
121 | F33 | 0.8990 |
122 | 797 | 0.8989 |
123 | U13 | 0.8989 |
124 | JFS | 0.8988 |
125 | 041 | 0.8978 |
126 | 4KN | 0.8976 |
127 | L2K | 0.8975 |
128 | 5Z5 | 0.8974 |
129 | 8EC | 0.8972 |
130 | NVS | 0.8971 |
131 | 57U | 0.8967 |
132 | JSX | 0.8963 |
133 | Y27 | 0.8960 |
134 | A05 | 0.8960 |
135 | 1V3 | 0.8954 |
136 | 4ZF | 0.8952 |
137 | 6JM | 0.8950 |
138 | HCC | 0.8949 |
139 | IPJ | 0.8949 |
140 | 7FZ | 0.8943 |
141 | A9E | 0.8942 |
142 | 18E | 0.8935 |
143 | AV6 | 0.8935 |
144 | AX1 | 0.8934 |
145 | IW3 | 0.8931 |
146 | 8E6 | 0.8931 |
147 | MRI | 0.8930 |
148 | WG8 | 0.8929 |
149 | 68C | 0.8928 |
150 | EBB | 0.8926 |
151 | SDN | 0.8926 |
152 | Z3R | 0.8925 |
153 | BBP | 0.8922 |
154 | 6H2 | 0.8922 |
155 | SAK | 0.8921 |
156 | 1Q1 | 0.8921 |
157 | H32 | 0.8921 |
158 | 3WL | 0.8919 |
159 | A26 | 0.8918 |
160 | 5YA | 0.8917 |
161 | 6QX | 0.8916 |
162 | 3Q0 | 0.8915 |
163 | 1V4 | 0.8914 |
164 | 4DE | 0.8914 |
165 | FSE | 0.8910 |
166 | HUL | 0.8909 |
167 | 62D | 0.8908 |
168 | Q0K | 0.8907 |
169 | 01I | 0.8905 |
170 | BOS | 0.8902 |
171 | 5NN | 0.8902 |
172 | 3WK | 0.8902 |
173 | E92 | 0.8899 |
174 | TH1 | 0.8898 |
175 | TVC | 0.8897 |
176 | VBC | 0.8896 |
177 | BRZ | 0.8894 |
178 | T5J | 0.8893 |
179 | 4P9 | 0.8892 |
180 | 123 | 0.8886 |
181 | RNP | 0.8884 |
182 | 3GX | 0.8879 |
183 | CUE | 0.8876 |
184 | C0V | 0.8876 |
185 | ZEA | 0.8870 |
186 | 0FZ | 0.8870 |
187 | A9B | 0.8869 |
188 | Q92 | 0.8868 |
189 | 3CA | 0.8863 |
190 | E98 | 0.8858 |
191 | 6DQ | 0.8857 |
192 | H75 | 0.8855 |
193 | R4E | 0.8854 |
194 | UAY | 0.8853 |
195 | 4FC | 0.8850 |
196 | PNW | 0.8849 |
197 | 4ZW | 0.8847 |
198 | LMZ | 0.8845 |
199 | IMK | 0.8845 |
200 | DQH | 0.8844 |
201 | MXM | 0.8843 |
202 | E8Z | 0.8841 |
203 | INI | 0.8840 |
204 | HH6 | 0.8840 |
205 | STL | 0.8840 |
206 | 1SX | 0.8839 |
207 | OAQ | 0.8838 |
208 | BX4 | 0.8837 |
209 | P4L | 0.8835 |
210 | 244 | 0.8834 |
211 | 7G2 | 0.8828 |
212 | LJ5 | 0.8828 |
213 | X8I | 0.8828 |
214 | NBZ GLA | 0.8825 |
215 | 6FX | 0.8825 |
216 | LJ2 | 0.8825 |
217 | EES | 0.8821 |
218 | A45 | 0.8817 |
219 | LZ3 | 0.8817 |
220 | 205 | 0.8815 |
221 | A8D | 0.8814 |
222 | 28A | 0.8813 |
223 | RF2 | 0.8813 |
224 | DH2 | 0.8813 |
225 | MHB | 0.8813 |
226 | BUN | 0.8809 |
227 | 57D | 0.8805 |
228 | 23M | 0.8798 |
229 | UN4 | 0.8794 |
230 | QDR | 0.8793 |
231 | PNJ | 0.8791 |
232 | OQR | 0.8783 |
233 | MR6 | 0.8783 |
234 | KWV | 0.8782 |
235 | YE7 | 0.8782 |
236 | 4UM | 0.8782 |
237 | 136 | 0.8778 |
238 | 7L4 | 0.8773 |
239 | 3JC | 0.8769 |
240 | 517 | 0.8768 |
241 | IRH | 0.8766 |
242 | P34 | 0.8765 |
243 | 40N | 0.8765 |
244 | 0S0 | 0.8764 |
245 | 6QT | 0.8763 |
246 | U14 | 0.8763 |
247 | 0DJ | 0.8763 |
248 | ESJ | 0.8761 |
249 | N5B | 0.8757 |
250 | AV7 | 0.8757 |
251 | MYC | 0.8755 |
252 | C4E | 0.8754 |
253 | PIQ | 0.8752 |
254 | DDC | 0.8751 |
255 | DXK | 0.8750 |
256 | UN9 | 0.8748 |
257 | BO1 | 0.8748 |
258 | LC1 | 0.8746 |
259 | 1FL | 0.8745 |
260 | LJ1 | 0.8744 |
261 | AU6 | 0.8743 |
262 | 5EZ | 0.8742 |
263 | IW5 | 0.8741 |
264 | NE2 | 0.8740 |
265 | 0DF | 0.8738 |
266 | XZ1 | 0.8736 |
267 | IIH | 0.8733 |
268 | T21 | 0.8732 |
269 | S16 | 0.8731 |
270 | 55U | 0.8731 |
271 | U1T | 0.8730 |
272 | DEH | 0.8726 |
273 | 5ER | 0.8724 |
274 | BRY | 0.8723 |
275 | ICD | 0.8717 |
276 | MYU | 0.8717 |
277 | 47V | 0.8712 |
278 | 5DE | 0.8708 |
279 | J3B | 0.8707 |
280 | CMG | 0.8706 |
281 | 1Q2 | 0.8704 |
282 | 1UA | 0.8702 |
283 | 83D | 0.8702 |
284 | SJR | 0.8702 |
285 | NZ4 | 0.8702 |
286 | ZRL | 0.8701 |
287 | AZB | 0.8699 |
288 | 90G | 0.8698 |
289 | PIT | 0.8698 |
290 | QS4 | 0.8698 |
291 | LUM | 0.8696 |
292 | 4K2 | 0.8693 |
293 | HPX | 0.8690 |
294 | Q7U | 0.8689 |
295 | 3MI | 0.8684 |
296 | AVX | 0.8682 |
297 | BVB | 0.8681 |
298 | IXM | 0.8678 |
299 | FNT | 0.8678 |
300 | CJN | 0.8677 |
301 | 9JT | 0.8674 |
302 | KVD | 0.8671 |
303 | DMB | 0.8666 |
304 | 245 | 0.8664 |
305 | 0K7 | 0.8660 |
306 | OLU | 0.8660 |
307 | GVI | 0.8658 |
308 | 2Q0 | 0.8657 |
309 | 2OX | 0.8656 |
310 | OSJ | 0.8656 |
311 | DN8 | 0.8651 |
312 | J8G | 0.8650 |
313 | PJK | 0.8647 |
314 | I0G | 0.8645 |
315 | 5B2 | 0.8641 |
316 | YE6 | 0.8639 |
317 | 0XR | 0.8638 |
318 | PW8 | 0.8638 |
319 | PCQ | 0.8636 |
320 | NIF | 0.8635 |
321 | LR2 | 0.8633 |
322 | U55 | 0.8630 |
323 | 0UL | 0.8628 |
324 | 9EG | 0.8626 |
325 | BU7 | 0.8625 |
326 | QC1 | 0.8623 |
327 | SLX | 0.8622 |
328 | O9Q | 0.8620 |
329 | BMU | 0.8619 |
330 | MT6 | 0.8618 |
331 | OUG | 0.8617 |
332 | WST | 0.8611 |
333 | 6WU | 0.8599 |
334 | F5N | 0.8593 |
335 | QUG | 0.8589 |
336 | 7EH | 0.8588 |
337 | OSD | 0.8588 |
338 | H50 | 0.8588 |
339 | 5LP | 0.8587 |
340 | 2QV | 0.8582 |
341 | D59 | 0.8577 |
342 | Q5M | 0.8574 |
343 | A5H | 0.8573 |
344 | 3Q1 | 0.8569 |
345 | 68Q | 0.8569 |
346 | BER | 0.8565 |
347 | IDD | 0.8565 |
348 | HWB | 0.8562 |
349 | IEE | 0.8561 |
350 | UL1 | 0.8557 |
351 | 4GU | 0.8552 |
352 | 79X | 0.8544 |
353 | RPB | 0.8531 |
354 | PRL | 0.8501 |
This union binding pocket(no: 1) in the query (biounit: 4buy.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6W65 | T9D | 7.5 |
This union binding pocket(no: 2) in the query (biounit: 4buy.bio2) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1XK9 | P34 | None |
2 | 6W65 | T9D | 7.5 |