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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 3N87 | Ki = 11 uM | N87 | C20 H18 O6 | c1ccc(cc1).... |
2 | 2Y76 | Ki = 440 nM | CB7 | C25 H22 O6 S2 | c1cc2c(ccs.... |
3 | 3N7A | Ki = 200 uM | FA1 | C7 H10 O5 | C1[C@H]([C.... |
4 | 4B6O | Ki = 100 nM | 3DQ | C15 H18 O7 | COc1ccc(cc.... |
5 | 2Y71 | Ki = 42.5 nM | CB6 | C17 H18 O6 S | Cc1ccc2c(c.... |
6 | 4CIW | Ki = 15 uM | XH2 | C9 H14 O6 | C1[C@H]([C.... |
7 | 4B6P | Ki = 74 nM | 2HN | C14 H11 F5 O6 | C1[C@H]([C.... |
8 | 3N8N | Ki = 27 uM | N88 | C12 H19 N O6 | CC(C)(C)NC.... |
9 | 3N76 | Ki = 0.14 uM | CA2 | C16 H22 O6 | c1ccc(cc1).... |
10 | 4CIY | Ki = 27 uM | NDY | C15 H18 O6 | c1ccc(cc1).... |
11 | 1H0R | Ki = 200 uM | FA1 | C7 H10 O5 | C1[C@H]([C.... |
12 | 3N86 | Ki = 2.3 uM | RJP | C16 H17 N O6 | c1ccc(cc1).... |
13 | 2XB8 | Ki = 26 nM | XNW | C15 H18 O7 | COc1ccc(cc.... |
14 | 1H0S | - | FA6 | C7 H11 N O6 | C1[C@H]([C.... |
15 | 4B6Q | Ki = 28 nM | BZ5 | C16 H16 O6 S | c1cc2c(ccs.... |
16 | 2Y77 | Ki = 250 nM | CB8 | C21 H20 O6 S2 | c1ccc2c(c1.... |
17 | 3N8K | Kd = 90 uM | D1X | C6 H5 N O4 | C1C(=CC(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 3N87 | Ki = 11 uM | N87 | C20 H18 O6 | c1ccc(cc1).... |
2 | 2Y76 | Ki = 440 nM | CB7 | C25 H22 O6 S2 | c1cc2c(ccs.... |
3 | 3N7A | Ki = 200 uM | FA1 | C7 H10 O5 | C1[C@H]([C.... |
4 | 4B6O | Ki = 100 nM | 3DQ | C15 H18 O7 | COc1ccc(cc.... |
5 | 2Y71 | Ki = 42.5 nM | CB6 | C17 H18 O6 S | Cc1ccc2c(c.... |
6 | 4CIW | Ki = 15 uM | XH2 | C9 H14 O6 | C1[C@H]([C.... |
7 | 4B6P | Ki = 74 nM | 2HN | C14 H11 F5 O6 | C1[C@H]([C.... |
8 | 3N8N | Ki = 27 uM | N88 | C12 H19 N O6 | CC(C)(C)NC.... |
9 | 1GTZ | - | DHK | C7 H10 O5 | C1[C@@H](C.... |
10 | 3N8K | Kd = 90 uM | D1X | C6 H5 N O4 | C1C(=CC(=O.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CRB | 0.9213 |
2 | KDM | 0.9102 |
3 | XD9 | 0.9080 |
4 | QIF | 0.9034 |
5 | F6P | 0.9019 |
6 | CIL | 0.9019 |
7 | 5KN | 0.8935 |
8 | XH2 | 0.8929 |
9 | G6P | 0.8895 |
10 | P20 | 0.8879 |
11 | IRN | 0.8870 |
12 | GRX | 0.8859 |
13 | KFN | 0.8848 |
14 | A04 | 0.8832 |
15 | IL5 | 0.8828 |
16 | FDP | 0.8824 |
17 | 78P | 0.8823 |
18 | MYI | 0.8818 |
19 | 772 | 0.8809 |
20 | MUR | 0.8797 |
21 | KDO | 0.8788 |
22 | AIR | 0.8777 |
23 | BG6 | 0.8725 |
24 | YO5 | 0.8719 |
25 | 7NU | 0.8715 |
26 | M6P | 0.8715 |
27 | WUB | 0.8703 |
28 | KDN | 0.8703 |
29 | G1P | 0.8702 |
30 | VYM | 0.8688 |
31 | M6D | 0.8684 |
32 | 2J2 | 0.8675 |
33 | R9G | 0.8668 |
34 | 56N | 0.8668 |
35 | OX2 | 0.8667 |
36 | OSB | 0.8662 |
37 | 4NO | 0.8649 |
38 | VKE | 0.8644 |
39 | 3LJ | 0.8637 |
40 | YKG | 0.8628 |
41 | ASG | 0.8627 |
42 | 3AK | 0.8620 |
43 | ITP | 0.8614 |
44 | NAG | 0.8614 |
45 | SFF | 0.8610 |
46 | ALA DGL | 0.8598 |
47 | IPT | 0.8588 |
48 | 64E | 0.8567 |
49 | SBI | 0.8567 |
50 | GNJ | 0.8545 |
51 | P9I | 0.8531 |
52 | TA6 | 0.8530 |
53 | MVJ | 0.8526 |
54 | YJW | 0.8524 |
55 | NDY | 0.8524 |
This union binding pocket(no: 1) in the query (biounit: 2xb8.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2xb8.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2xb8.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2xb8.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 2xb8.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 2xb8.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 2xb8.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 2xb8.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 2xb8.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 10) in the query (biounit: 2xb8.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 11) in the query (biounit: 2xb8.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 12) in the query (biounit: 2xb8.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |