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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 | ACE DAL VR0 MEA ASP | 1 | 1 |
2 | ACE VR0 MEA ASP | 0.858696 | 0.982456 |
3 | WRG | 0.428571 | 0.898305 |
No: | Ligand | Similarity coefficient |
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