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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 | 8LR GLY TRP TYR XSN | 1 | 1 |
2 | GAL TRP LYS TYR LEU PHB | 0.469799 | 0.857143 |
3 | ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE | 0.451128 | 0.625 |
4 | TYR MET TRP ASP GLY TRP TYR MET QJE | 0.441718 | 0.734177 |
5 | SER VAL TYR ASP PHE PHE VAL TRP LEU | 0.434211 | 0.726027 |
6 | ASP SER TRP LYS ASP GLY CYS TYR | 0.425 | 0.802817 |
7 | GAL TRP ARG ILE ALA PHB | 0.42029 | 0.855072 |
8 | GLU ASP ASN ASP TRP ASN | 0.41129 | 0.628571 |
9 | MET LEU TRP GLY TYR LEU GLN TYR VAL | 0.409938 | 0.653846 |
10 | ARG PHE MET ASP TYR TRP GLU GLY LEU | 0.408046 | 0.619048 |
11 | SER SER VAL ILE GLY VAL TRP TYR LEU | 0.40625 | 0.72973 |
12 | SER SER VAL VAL GLY VAL TRP TYR LEU | 0.403846 | 0.739726 |
13 | ASN ASP TRP LEU LEU PRO SER TYR | 0.403509 | 0.7375 |
14 | GLU LEU ASP HOX TRP ALA SER | 0.4 | 0.666667 |
No: | Ligand | Similarity coefficient |
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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 |