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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 20 families. | |||||
1 | 3CHD | ic50 = 12 uM | WRG | C20 H30 N6 O5 | [H]/N=C(NC.... |
2 | 3CH9 | ic50 = 500 uM | XRG | C4 H10 N4 O | [H]/N=C(NC.... |
3 | 3CHF | ic50 = 4.3 uM | ACE DAL VR0 MEA ASP | n/a | n/a |
4 | 3CHE | ic50 = 5.1 uM | ACE VR0 MEA ASP | n/a | n/a |
5 | 2A3B | ic50 = 469 uM | CFF | C8 H10 N4 O2 | Cn1cnc2c1C.... |
6 | 2A3E | - | NAA AMI NAA | n/a | n/a |
7 | 1W9V | Kd = 0.46 uM | VR0 MEA IAS IAS DAL | n/a | n/a |
8 | 2IUZ | Ki = 2.8 uM | D1H | C16 H18 N8 O4 | Cn1cnc2c1C.... |
9 | 3CHC | ic50 = 81 uM | ZRG | C11 H22 N6 O3 | [H]/N=C(/N.... |
10 | 2A3A | ic50 = 1500 uM | TEP | C7 H8 N4 O2 | CN1c2c([nH.... |
11 | 1W9U | Kd = 0.81 uM | 0AR DPR HSE HIS UN1 | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 11 families. | |||||
1 | 3CHD | ic50 = 12 uM | WRG | C20 H30 N6 O5 | [H]/N=C(NC.... |
2 | 3CH9 | ic50 = 500 uM | XRG | C4 H10 N4 O | [H]/N=C(NC.... |
3 | 3CHF | ic50 = 4.3 uM | ACE DAL VR0 MEA ASP | n/a | n/a |
4 | 3CHE | ic50 = 5.1 uM | ACE VR0 MEA ASP | n/a | n/a |
5 | 2A3B | ic50 = 469 uM | CFF | C8 H10 N4 O2 | Cn1cnc2c1C.... |
6 | 2A3E | - | NAA AMI NAA | n/a | n/a |
7 | 1W9V | Kd = 0.46 uM | VR0 MEA IAS IAS DAL | n/a | n/a |
8 | 2IUZ | Ki = 2.8 uM | D1H | C16 H18 N8 O4 | Cn1cnc2c1C.... |
9 | 3CHC | ic50 = 81 uM | ZRG | C11 H22 N6 O3 | [H]/N=C(/N.... |
10 | 3G6M | Ki = 19.7 mM | CFF | C8 H10 N4 O2 | Cn1cnc2c1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AO3 | 1 | 1 |
2 | NAA AMI NAA | 1 | 1 |
3 | NAA AMI NA1 | 0.850575 | 0.984848 |
4 | NAG NGT NAG | 0.574468 | 0.797101 |
5 | NAG NAG NAG NAG NAG | 0.55814 | 0.753846 |
6 | NAG NAG NAG NAG NAG NAG NAG NAG | 0.55814 | 0.753846 |
7 | NDG NAG NAG NAG NAG | 0.55814 | 0.753846 |
8 | NAG NAG NAG NAG NAG NAG | 0.55814 | 0.753846 |
9 | NAG NAG NAG NAG NAG NAG NAG | 0.516129 | 0.710145 |
10 | NAG NAG NAG NAG | 0.516129 | 0.710145 |
11 | NAG NAG NAG | 0.516129 | 0.710145 |
12 | GDL NAG | 0.511628 | 0.738462 |
13 | NGT NAG | 0.510638 | 0.782609 |
14 | NAG NOJ NAG | 0.510417 | 0.690141 |
15 | NAG NOJ NAG NAG | 0.510417 | 0.704225 |
16 | MBG A2G | 0.505747 | 0.723077 |
17 | Z4S NAG NAG | 0.494845 | 0.787879 |
18 | Z3Q NGA | 0.489583 | 0.675676 |
19 | AMV NAG AMU NAG | 0.480392 | 0.757576 |
20 | BGC GAL NGA | 0.473118 | 0.692308 |
21 | 6Y2 | 0.465347 | 0.675325 |
22 | BMA MAN NAG | 0.458333 | 0.692308 |
23 | NAG NGO | 0.458333 | 0.761194 |
24 | NAG NAG BMA MAN NAG | 0.45283 | 0.753846 |
25 | SN5 NGT SN5 | 0.45098 | 0.714286 |
26 | UMG | 0.449541 | 0.704225 |
27 | NAG NAG NAG TMX | 0.44898 | 0.808824 |
28 | NAG GAL NAG | 0.438776 | 0.738462 |
29 | MAN NAG | 0.438202 | 0.692308 |
30 | MAN NAG GAL | 0.4375 | 0.692308 |
31 | NDG NAG | 0.434783 | 0.753846 |
32 | GAL NAG GAL | 0.43299 | 0.692308 |
33 | GUM | 0.431193 | 0.704225 |
34 | NAG NAG BMA | 0.43 | 0.695652 |
35 | A2G NAG | 0.428571 | 0.738462 |
36 | MBG NAG | 0.428571 | 0.723077 |
37 | BGC GAL NAG | 0.424242 | 0.692308 |
38 | BMA MAN MAN NAG GAL NAG | 0.421053 | 0.738462 |
39 | GAL NGA | 0.419355 | 0.656716 |
40 | BGC GAL GLA NGA | 0.417476 | 0.692308 |
41 | BDP NPO NDG BDP NDG | 0.415254 | 0.675325 |
42 | 3QL | 0.412371 | 0.772727 |
43 | NAG GAL NAG GAL | 0.411765 | 0.738462 |
44 | NAG GAL NAG GAL NAG GAL | 0.411765 | 0.753846 |
45 | GAL NAG GAL NAG GAL | 0.411765 | 0.738462 |
46 | NAG NAG BMA MAN MAN NAG GAL NAG | 0.408333 | 0.753846 |
47 | SN5 NGT | 0.405941 | 0.714286 |
48 | MMA MAN NAG | 0.40404 | 0.723077 |
49 | GAL NGA A2G | 0.402062 | 0.738462 |
50 | AMU NAG | 0.401961 | 0.742424 |
51 | NAG NAG BMA MAN MAN NAG NAG | 0.401639 | 0.710145 |
52 | NDG BMA MAN MAN NAG GAL NAG | 0.4 | 0.753846 |
No: | Ligand | Similarity coefficient |
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