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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 39 families. | |||||
1 | 6ZJC | ic50 = 9.6 uM | QLT | C6 H15 Br Sn | CC[Sn](CC).... |
2 | 6ZJ9 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
3 | 3IK7 | - | BOB | C19 H35 N3 O8 S | CCCCC[C@H].... |
4 | 3L0H | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
5 | 1USB | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
6 | 2WJU | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
7 | 3IK9 | - | BOB | C19 H35 N3 O8 S | CCCCC[C@H].... |
8 | 2R3X | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
9 | 1TDI | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
10 | 2VCV | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
11 | 3KTL | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
12 | 1K3L | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
13 | 6YAW | - | P9H | C19 H25 N3 O7 S | c1ccc(cc1).... |
14 | 1PL2 | - | ABY | C17 H25 N3 O5 S | COc1ccc(cc.... |
15 | 1K3Y | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
16 | 4ACS | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
17 | 3I69 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
18 | 3I6A | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
19 | 1PKW | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
20 | 6ATR | - | BWS | C10 H17 N3 O6 | C[C@@H](C(.... |
21 | 1GSE | ic50 ~ 1.8 uM | GSH EAA | n/a | n/a |
22 | 5JCU | - | GVX | C19 H26 N4 O6 S2 | c1ccc(cc1).... |
23 | 1PL1 | - | ABY | C17 H25 N3 O5 S | COc1ccc(cc.... |
24 | 4HJ2 | - | LZ6 | C24 H35 Cl N4 O8 S | c1cc(ccc1C.... |
25 | 1AGS | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
26 | 6ATO | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
27 | 1YDK | Kd = 1.3 uM | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
28 | 2VCT | - | ASD | C19 H26 O2 | C[C@]12CCC.... |
29 | 1EV9 | - | GTS | C10 H17 N3 O9 S | C(CC(=O)N[.... |
30 | 1EV4 | - | GTS | C10 H17 N3 O9 S | C(CC(=O)N[.... |
31 | 1F3A | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
32 | 1F3B | - | GBX | C30 H27 N3 O9 S | c1cc2ccc3c.... |
33 | 1ML6 | - | GBX | C30 H27 N3 O9 S | c1cc2ccc3c.... |
34 | 1VF2 | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
35 | 1VF1 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
36 | 1VF3 | - | GDN | C16 H19 N5 O10 S | c1cc(c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 18 families. | |||||
1 | 6ZJC | ic50 = 9.6 uM | QLT | C6 H15 Br Sn | CC[Sn](CC).... |
2 | 3L0H | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
3 | 1USB | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
4 | 2WJU | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
5 | 3IK9 | - | BOB | C19 H35 N3 O8 S | CCCCC[C@H].... |
6 | 2R3X | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
7 | 1PKW | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
8 | 6ATR | - | BWS | C10 H17 N3 O6 | C[C@@H](C(.... |
9 | 1GSE | ic50 ~ 1.8 uM | GSH EAA | n/a | n/a |
10 | 5JCU | - | GVX | C19 H26 N4 O6 S2 | c1ccc(cc1).... |
11 | 1PL1 | - | ABY | C17 H25 N3 O5 S | COc1ccc(cc.... |
12 | 4HJ2 | - | LZ6 | C24 H35 Cl N4 O8 S | c1cc(ccc1C.... |
13 | 1AGS | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
14 | 6ATO | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
15 | 1YDK | Kd = 1.3 uM | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
16 | 2VCT | - | ASD | C19 H26 O2 | C[C@]12CCC.... |
17 | 1EV4 | - | GTS | C10 H17 N3 O9 S | C(CC(=O)N[.... |
18 | 1F3A | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
19 | 1F3B | - | GBX | C30 H27 N3 O9 S | c1cc2ccc3c.... |
20 | 1ML6 | - | GBX | C30 H27 N3 O9 S | c1cc2ccc3c.... |
21 | 1VF2 | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
22 | 1VF3 | - | GDN | C16 H19 N5 O10 S | c1cc(c(cc1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GSH | 1 | 1 |
2 | HCG | 0.75 | 0.973684 |
3 | HGS | 0.730769 | 0.925 |
4 | GSM | 0.690909 | 0.878049 |
5 | GDS | 0.672727 | 0.837209 |
6 | GS8 | 0.672727 | 0.840909 |
7 | GTS | 0.672727 | 0.660714 |
8 | GSF | 0.660714 | 0.72549 |
9 | AHE | 0.649123 | 0.9 |
10 | 3GC | 0.645833 | 0.918919 |
11 | HGD | 0.637931 | 0.837209 |
12 | GCG | 0.6 | 0.860465 |
13 | KGT | 0.592593 | 0.923077 |
14 | TGG | 0.587302 | 0.9 |
15 | BWS | 0.581818 | 0.871795 |
16 | TS5 | 0.573529 | 0.880952 |
17 | 0HH | 0.528571 | 0.782609 |
18 | GSB | 0.528571 | 0.878049 |
19 | KSN | 0.528302 | 0.789474 |
20 | GSO | 0.521127 | 0.857143 |
21 | BOB | 0.493506 | 0.75 |
22 | GTB | 0.493333 | 0.631579 |
23 | P9H | 0.486842 | 0.857143 |
24 | GBI | 0.486842 | 0.782609 |
25 | 48T | 0.481013 | 0.8 |
26 | L9X | 0.480519 | 0.62069 |
27 | GTD | 0.480519 | 0.6 |
28 | ESG | 0.480519 | 0.62069 |
29 | 1R4 | 0.474359 | 0.62069 |
30 | GIP | 0.474359 | 0.6 |
31 | GPS | 0.468354 | 0.72 |
32 | GPR | 0.468354 | 0.72 |
33 | GBP | 0.468354 | 0.6 |
34 | GAZ | 0.457831 | 0.679245 |
35 | GVX | 0.45679 | 0.8 |
36 | HFV | 0.447761 | 0.8 |
37 | ASV | 0.446154 | 0.9 |
38 | GNB | 0.445783 | 0.6 |
39 | W05 | 0.444444 | 0.923077 |
40 | VB1 | 0.444444 | 0.9 |
41 | LZ6 | 0.436782 | 0.692308 |
42 | ACV | 0.430769 | 0.878049 |
43 | BCV | 0.424242 | 0.9 |
44 | CDH | 0.424242 | 0.818182 |
45 | 2G2 | 0.42029 | 0.615385 |
46 | HGA | 0.42 | 0.622222 |
47 | M8F | 0.411765 | 0.837209 |
48 | MEQ | 0.411765 | 0.658537 |
49 | TS4 | 0.410256 | 0.804348 |
50 | M9F | 0.405797 | 0.837209 |
51 | KKA | 0.4 | 0.894737 |
52 | M2W | 0.4 | 0.8 |
53 | ACW | 0.4 | 0.8 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GSN | 0.9495 |
2 | MP2 | 0.9045 |
3 | ALA ALA ALA ALA | 0.8738 |
4 | GGL CYW GLY | 0.8570 |
5 | DN8 | 0.8566 |
This union binding pocket(no: 1) in the query (biounit: 1ydk.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1ydk.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |