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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 426 families. | |||||
1 | 4CZS | - | 8LR GLY TRP TYR XSN | n/a | n/a |
2 | 5U3E | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
3 | 2CYF | - | GLC GLC | n/a | n/a |
4 | 1JN2 | Ka = 12200 M^-1 | SFP | C44 H34 N4 O12 S4 | c1c(ccc(c1.... |
5 | 1CVN | - | MAN MAN MAN | n/a | n/a |
6 | 2OW4 | - | MMA MAN | n/a | n/a |
7 | 2D7F | - | DBB | C4 H9 N O2 | CC[C@H](C(.... |
8 | 2P2K | - | MMA MAN | n/a | n/a |
9 | 2EF6 | - | MMA MAN | n/a | n/a |
10 | 2P37 | - | ZEL MAN | n/a | n/a |
11 | 4PF5 | - | M3N | C9 H15 N3 O6 | c1c(nnn1[C.... |
12 | 1GIC | - | GYP | C7 H14 O6 | CO[C@@H]1[.... |
13 | 1JW6 | - | MET TYR TRP TYR PRO TYR | n/a | n/a |
14 | 4K21 | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
15 | 1ONA | - | MMA MAN MAN | n/a | n/a |
16 | 4L8Q | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
17 | 2OVU | - | MMA MAN | n/a | n/a |
18 | 2CY6 | - | GLC GLC | n/a | n/a |
19 | 1I3H | - | MAN MAN | n/a | n/a |
20 | 1HQW | - | TYR PRO TYR | n/a | n/a |
21 | 4K1Y | - | MMA MAN | n/a | n/a |
22 | 2P34 | - | MMA MAN | n/a | n/a |
23 | 4K1Z | - | MMA MAN | n/a | n/a |
24 | 5CNA | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
25 | 3JU9 | - | DBB | C4 H9 N O2 | CC[C@H](C(.... |
26 | 3D4K | - | H1M MAN MAN | n/a | n/a |
27 | 1QDC | - | MMA MAN | n/a | n/a |
28 | 1MVQ | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
29 | 3U4X | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
30 | 3A0K | - | ABA | C4 H9 N O2 | CC[C@@H](C.... |
31 | 2JE7 | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
32 | 5UUY | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
33 | 6CJ9 | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
34 | 3SH3 | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
35 | 2JE9 | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
36 | 3RS6 | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
37 | 2JDZ | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
38 | 2JEC | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
39 | 1DGL | - | MMA MAN MAN | n/a | n/a |
40 | 5TG3 | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 4CZS | - | 8LR GLY TRP TYR XSN | n/a | n/a |
2 | 5U3E | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
3 | 2CYF | - | GLC GLC | n/a | n/a |
4 | 1JN2 | Ka = 12200 M^-1 | SFP | C44 H34 N4 O12 S4 | c1c(ccc(c1.... |
5 | 1CVN | - | MAN MAN MAN | n/a | n/a |
6 | 2OW4 | - | MMA MAN | n/a | n/a |
7 | 2D7F | - | DBB | C4 H9 N O2 | CC[C@H](C(.... |
8 | 2P2K | - | MMA MAN | n/a | n/a |
9 | 2EF6 | - | MMA MAN | n/a | n/a |
10 | 2P37 | - | ZEL MAN | n/a | n/a |
11 | 4PF5 | - | M3N | C9 H15 N3 O6 | c1c(nnn1[C.... |
12 | 1GIC | - | GYP | C7 H14 O6 | CO[C@@H]1[.... |
13 | 1JW6 | - | MET TYR TRP TYR PRO TYR | n/a | n/a |
14 | 4K21 | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
15 | 1ONA | - | MMA MAN MAN | n/a | n/a |
16 | 4L8Q | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
17 | 2OVU | - | MMA MAN | n/a | n/a |
18 | 2CY6 | - | GLC GLC | n/a | n/a |
19 | 1I3H | - | MAN MAN | n/a | n/a |
20 | 1HQW | - | TYR PRO TYR | n/a | n/a |
21 | 4K1Y | - | MMA MAN | n/a | n/a |
22 | 2P34 | - | MMA MAN | n/a | n/a |
23 | 4K1Z | - | MMA MAN | n/a | n/a |
24 | 5CNA | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
25 | 3JU9 | - | DBB | C4 H9 N O2 | CC[C@H](C(.... |
26 | 3D4K | - | H1M MAN MAN | n/a | n/a |
27 | 1QDC | - | MMA MAN | n/a | n/a |
28 | 1MVQ | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
29 | 3U4X | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
30 | 3A0K | - | ABA | C4 H9 N O2 | CC[C@@H](C.... |
31 | 2JE7 | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
32 | 5UUY | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
33 | 6CJ9 | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
34 | 3SH3 | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
35 | 2JE9 | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
36 | 3RS6 | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
37 | 2JDZ | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
38 | 2JEC | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
39 | 1DGL | - | MMA MAN MAN | n/a | n/a |
40 | 5TG3 | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | H1M MAN MAN | 1 | 1 |
2 | MMA MAN MAN | 0.647059 | 0.921053 |
3 | MMA MAN | 0.553846 | 0.921053 |
4 | BMA MAN MAN | 0.549296 | 0.868421 |
5 | BMA MAN MAN MAN | 0.538462 | 0.897436 |
6 | BGC BGC BGC BGC | 0.493671 | 0.868421 |
7 | BGC GLC GLC | 0.493333 | 0.868421 |
8 | MAN MAN BMA | 0.493333 | 0.871795 |
9 | BGC GLC GLC GLC GLC GLC | 0.478261 | 0.868421 |
10 | BGC GLC GLC GLC GLC | 0.478261 | 0.868421 |
11 | NAG BMA MAN MAN MAN MAN MAN | 0.476744 | 0.853659 |
12 | BMA MAN MAN MAN MAN | 0.47619 | 0.825 |
13 | GLC GLC GLC | 0.474359 | 0.871795 |
14 | BMA NGT MAN MAN | 0.472527 | 0.62963 |
15 | GLC GLC GLC GLC GLC | 0.468354 | 0.868421 |
16 | BGC GLC GLC GLC | 0.468354 | 0.868421 |
17 | MBG GAL | 0.463768 | 0.921053 |
18 | MBG GLA | 0.462687 | 0.921053 |
19 | MAN BMA MAN MAN MAN MAN MAN | 0.450549 | 0.921053 |
20 | MAN MAN MAN | 0.445783 | 0.846154 |
21 | BMA BMA BMA BMA GLA | 0.444444 | 0.868421 |
22 | MGL GAL | 0.442857 | 0.921053 |
23 | YZ0 MAN MAN NAG MAN | 0.4375 | 0.7 |
24 | MAN MAN MAN MAN MAN MAN MAN | 0.426966 | 0.868421 |
25 | BMA BMA BMA BMA GLA BMA GLA | 0.422222 | 0.804878 |
26 | Z4R MAN MAN | 0.420455 | 0.833333 |
27 | AHR AHR AHR AHR AHR AHR | 0.42029 | 0.75 |
28 | AHR AHR AHR AHR AHR | 0.42029 | 0.75 |
29 | AHR AHR AHR AHR | 0.42029 | 0.75 |
30 | GLC EDO GLC | 0.418919 | 0.921053 |
31 | NAG NAG MAN MAN MAN | 0.418367 | 0.653846 |
32 | AHR AHR | 0.41791 | 0.75 |
33 | 1GN ACY GAL 1GN BGC ACY GAL BGC | 0.416667 | 0.653846 |
34 | AXR BXY BXY BXX | 0.41573 | 0.744186 |
35 | MGC GAL | 0.415584 | 0.7 |
36 | GLC DMJ | 0.413333 | 0.66 |
37 | NOJ BGC | 0.413333 | 0.66 |
38 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.409639 | 0.868421 |
39 | BQZ | 0.409091 | 0.789474 |
40 | NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.405941 | 0.693878 |
41 | 5QP | 0.405405 | 0.820513 |
42 | A2G GAL NAG | 0.404494 | 0.653846 |
43 | NGA THR GAL NAG | 0.40404 | 0.618182 |
44 | FRU GLC GLA | 0.402439 | 0.785714 |
45 | MAN AML MAN MAN MAN MAN MAN MAN MAN | 0.402062 | 0.813953 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 1jn2.bio1) has 6 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1jn2.bio2) has 6 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1jn2.bio2) has 6 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1jn2.bio2) has 6 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1jn2.bio2) has 6 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |