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- Structure Biounit | Ligand Information
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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 | 2AAW | Ki = 35 uM | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
2 | 1Q4J | - | GTX | C16 H30 N3 O6 S | CCCCCCSC[C.... |
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 | GTX | 1 | 1 |
2 | 0HH | 0.732394 | 0.978261 |
3 | 0HG | 0.56962 | 0.703704 |
4 | CNZ | 0.54023 | 0.716981 |
5 | GSM | 0.493151 | 0.829787 |
6 | AHE | 0.486486 | 0.770833 |
7 | GS8 | 0.459459 | 0.666667 |
8 | GDS | 0.459459 | 0.76 |
9 | HGD | 0.441558 | 0.72549 |
10 | BOB | 0.43956 | 0.897959 |
11 | TGG | 0.432099 | 0.770833 |
12 | GSB | 0.430233 | 0.755102 |
13 | ABY | 0.425287 | 0.709091 |
14 | GSO | 0.425287 | 0.74 |
15 | GGL CYW GLY | 0.402439 | 0.795918 |
16 | 48T | 0.4 | 0.698113 |
This union binding pocket(no: 1) in the query (biounit: 2aaw.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2aaw.bio1) has 43 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |