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- 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 | 1OE7 | Kd = 9 uM | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
2 | 2CAQ | Kd = 285 uM | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
3 | 2C80 | Kd = 4.7 uM | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
4 | 2CA8 | Kd = 22 uM | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
5 | 2F8F | Kd = 21 uM | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
6 | 1OE8 | Kd = 9 uM | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
7 | 1U3I | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 18 families. | |||||
1 | 1M0U | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
2 | 2ON5 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
3 | 1OE7 | Kd = 9 uM | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
4 | 2CAQ | Kd = 285 uM | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
5 | 2C80 | Kd = 4.7 uM | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
6 | 2CA8 | Kd = 22 uM | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
7 | 2F8F | Kd = 21 uM | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
8 | 1OE8 | Kd = 9 uM | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
9 | 2GSQ | - | GBI | C17 H22 I N3 O6 S | c1cc(cc(c1.... |
10 | 1GSQ | - | GDN | C16 H19 N5 O10 S | c1cc(c(cc1.... |
11 | 5H5L | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
12 | 5YWX | Kd = 0.14 nM | 93C | C20 H17 N5 O2 | c1ccnc(c1).... |
13 | 2VD1 | ic50 = 0.138 uM | D28 | C17 H13 F N2 O3 S | Cc1cc(ccc1.... |
14 | 4EC0 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
15 | 5AIX | Kd = 0.012 uM | KRX | C20 H22 F3 N3 O2 | COc1cccc(c.... |
16 | 2CVD | Kd = 0.8 uM | HQL | C22 H27 N5 O | c1ccc(cc1).... |
17 | 3VI7 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
18 | 4EDY | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
19 | 4EE0 | - | GSF | C10 H17 N3 O8 S | C(CC(=O)N[.... |
20 | 5AIS | Kd = 0.57 uM | CWC | C19 H22 N4 O | CN(C)CCCC(.... |
21 | 2VCX | ic50 = 0.021 uM | D26 | C12 H9 N3 S | c1ccc(cc1).... |
22 | 6W8H | ic50 = 9.4 nM | TJG | C21 H27 N3 O2 | CC(C)(C1CC.... |
23 | 3VI5 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
24 | 5AIV | Kd = 0.65 uM | M1W | C15 H16 N4 O3 | COCCCNC(=O.... |
25 | 1V40 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
26 | 1IYI | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
27 | 6W58 | ic50 = 3.9 nM | SWS | C21 H28 N4 O2 | CC(C)(C1CC.... |
28 | 2VCW | ic50 = 890 uM | ZZA | C10 H8 N2 O2 | c1ccc(cc1).... |
29 | 2VCZ | - | VC3 | C9 H7 N3 O2 | c1cc(ccc1c.... |
30 | 4EDZ | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
31 | 3EE2 | ic50 ~ 65 uM | NZO | C14 H11 N3 O3 S | COC(=O)Nc1.... |
32 | 1IYH | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
33 | 2VD0 | ic50 = 11.6 uM | D27 | C18 H17 N O5 | COc1ccc(cc.... |
34 | 6N4E | ic50 = 9.9 nM | KCD | C20 H24 F2 N2 O3 | CC(C)(C1CC.... |
35 | 2VCQ | ic50 = 0.92 uM | D25 | C12 H9 N3 O | c1ccc(cc1).... |
36 | 1Q4J | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
37 | 1ZL9 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
38 | 3W8S | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
39 | 6N69 | ic50 = 220000 nM | KDV | C10 H6 N2 | c1ccc2c(c1.... |
40 | 1PD2 | - | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
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: 2c80.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2c80.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |