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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
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 | MMA MAN MAN | 1 | 1 |
2 | BMA MAN MAN MAN | 0.809524 | 0.972222 |
3 | NAG BMA MAN MAN MAN MAN MAN | 0.704225 | 0.921053 |
4 | MBG GAL | 0.696429 | 1 |
5 | BMA MAN MAN | 0.677419 | 0.942857 |
6 | MMA MAN | 0.666667 | 1 |
7 | H1M MAN MAN | 0.647059 | 0.921053 |
8 | BGC BGC BGC BGC | 0.623188 | 0.942857 |
9 | BMA MAN MAN MAN MAN | 0.616438 | 0.891892 |
10 | YZ0 MAN MAN NAG MAN | 0.590361 | 0.744681 |
11 | BMA NGT MAN MAN | 0.560976 | 0.666667 |
12 | MAN MAN BMA | 0.558824 | 0.891892 |
13 | MAN MAN MAN | 0.540541 | 0.916667 |
14 | MAN BMA MAN MAN MAN MAN MAN | 0.536585 | 1 |
15 | BGC GLC GLC | 0.536232 | 0.942857 |
16 | NAG NAG MAN MAN MAN | 0.528736 | 0.693878 |
17 | BGC GLC GLC GLC GLC GLC | 0.52381 | 0.942857 |
18 | BGC GLC GLC GLC GLC | 0.52381 | 0.942857 |
19 | GLC GLC GLC | 0.513889 | 0.891892 |
20 | NAG BMA MAN MAN MAN MAN | 0.511628 | 0.73913 |
21 | 1GN ACY GAL 1GN BGC ACY GAL BGC | 0.511628 | 0.693878 |
22 | MBG GLA | 0.508197 | 1 |
23 | MGL GAL | 0.507937 | 1 |
24 | GLC GLC GLC GLC GLC | 0.506849 | 0.942857 |
25 | BGC GLC GLC GLC | 0.506849 | 0.942857 |
26 | BQZ | 0.5 | 0.857143 |
27 | AXR BXY BXY BXX | 0.5 | 0.8 |
28 | NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.494505 | 0.73913 |
29 | MAN AML MAN MAN MAN MAN MAN MAN MAN | 0.494253 | 0.829268 |
30 | MAN MAN MAN MAN MAN MAN MAN | 0.493827 | 0.942857 |
31 | YZ0 MAN Z4Y NAG MAN | 0.489796 | 0.7 |
32 | Z4R MAN MAN | 0.4875 | 0.897436 |
33 | BGC BGC BGC BGC BGC | 0.484848 | 0.942857 |
34 | BGC BGC BGC BGC BGC BGC | 0.484848 | 0.942857 |
35 | BGC BGC BGC | 0.484848 | 0.942857 |
36 | BGC BGC BGC BGC BGC BGC BGC | 0.484848 | 0.942857 |
37 | GLC BGC BGC BGC | 0.484848 | 0.942857 |
38 | BMA BMA BMA BMA GLA | 0.48 | 0.942857 |
39 | GAL GLA | 0.47619 | 0.942857 |
40 | NDG BMA MAN MAN NAG MAN MAN | 0.464646 | 0.693878 |
41 | GYP | 0.464286 | 0.914286 |
42 | MMA | 0.464286 | 0.914286 |
43 | MBG | 0.464286 | 0.914286 |
44 | AMG | 0.464286 | 0.914286 |
45 | OPM MAN MAN | 0.461538 | 0.809524 |
46 | AHR AHR AHR AHR | 0.460317 | 0.810811 |
47 | AHR AHR AHR AHR AHR AHR | 0.460317 | 0.810811 |
48 | AHR AHR AHR AHR AHR | 0.460317 | 0.810811 |
49 | AHR AHR | 0.459016 | 0.810811 |
50 | BGC GAL GLA | 0.457143 | 0.942857 |
51 | AXR BXY BXY BXY BXX BXX | 0.453488 | 0.8 |
52 | GAL SO4 GAL | 0.452055 | 0.634615 |
53 | MGC GAL | 0.450704 | 0.744681 |
54 | NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN | 0.442105 | 0.73913 |
55 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.441558 | 0.942857 |
56 | BGC GLA GAL | 0.4375 | 0.942857 |
57 | NAG NAG BMA MAN MAN MAN MAN | 0.432692 | 0.641509 |
58 | MBG NAG | 0.432432 | 0.744681 |
59 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.432432 | 0.942857 |
60 | KDO MAN MAN MAN MAN MAN | 0.431373 | 0.825 |
61 | BGC GAL NAG NAG GAL GAL | 0.430108 | 0.693878 |
62 | Z9N GLC | 0.428571 | 0.8 |
63 | NOJ BGC | 0.428571 | 0.666667 |
64 | MMA XYP | 0.428571 | 0.972222 |
65 | MAN MAN MAN GLC | 0.426667 | 0.942857 |
66 | NAG GAL BGC GAL | 0.421687 | 0.73913 |
67 | GLC U8V | 0.42029 | 0.918919 |
68 | BMA BMA BMA BMA GLA BMA GLA | 0.418605 | 0.868421 |
69 | NAG GAL GAL | 0.417722 | 0.73913 |
70 | GTM BGC BGC | 0.417722 | 0.921053 |
71 | A2G GAL NAG | 0.416667 | 0.693878 |
72 | FRU GLC GLA | 0.415584 | 0.846154 |
73 | GLC EDO GLC | 0.414286 | 0.891892 |
74 | NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.413462 | 0.693878 |
75 | NGB | 0.4125 | 0.6 |
76 | GLC G6P | 0.411765 | 0.75 |
77 | RR7 GLC | 0.411765 | 0.891892 |
78 | BGC 5VQ GAL GLA | 0.410959 | 0.894737 |
79 | GLC FRU GLA GLA GLA | 0.410256 | 0.846154 |
80 | GLC FRU GLA GLA | 0.410256 | 0.846154 |
81 | AHR FUB | 0.409836 | 0.810811 |
82 | MAN MNM | 0.408451 | 0.673469 |
83 | GLC DMJ | 0.408451 | 0.666667 |
84 | RGG | 0.40625 | 0.833333 |
85 | FUC GAL | 0.405797 | 0.942857 |
86 | MAN MAN M6P | 0.405063 | 0.75 |
87 | NAG BMA MAN MAN NAG GAL NAG GAL | 0.40404 | 0.68 |
88 | IFM MAN | 0.402778 | 0.680851 |
89 | GCU BGC | 0.402778 | 0.864865 |
90 | BGC ZZ1 BGC | 0.402299 | 0.772727 |
91 | NGA THR GAL NAG | 0.4 | 0.653846 |
92 | DEG | 0.4 | 0.775 |
93 | MMA GLA ABE | 0.4 | 0.921053 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | YZ0 MAN Z4Y | 0.9315 |
This union binding pocket(no: 1) in the query (biounit: 1jn2.bio1) has 6 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1jn2.bio2) has 6 residues | |||
---|---|---|---|
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 |