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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 4 families. | |||||
1 | 5EWY | Kd = 50 uM | 5TQ | C16 H17 F N2 O3 | c1cc2c(cc1.... |
2 | 5TLB | Kd = 70 uM | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
3 | 5EWK | Kd = 14 uM | P34 | C17 H17 N3 O2 | CN(C)CC(=O.... |
4 | 5ZJ5 | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 5EWY | Kd = 50 uM | 5TQ | C16 H17 F N2 O3 | c1cc2c(cc1.... |
2 | 5TLB | Kd = 70 uM | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
3 | 5EWK | Kd = 14 uM | P34 | C17 H17 N3 O2 | CN(C)CC(=O.... |
4 | 5ZJ5 | - | GDP | C10 H15 N5 O11 P2 | c1nc2c(n1[.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | P34 | 0.9314 |
2 | FYE | 0.8969 |
3 | 9X0 | 0.8950 |
4 | 1CE | 0.8898 |
5 | OAQ | 0.8850 |
6 | QUE | 0.8781 |
7 | KTM | 0.8781 |
8 | MN QAY | 0.8778 |
9 | I0D | 0.8764 |
10 | D5F | 0.8764 |
11 | 7JB | 0.8756 |
12 | EY2 | 0.8717 |
13 | D80 | 0.8716 |
14 | WUL | 0.8660 |
15 | PQD | 0.8654 |
16 | D4O | 0.8642 |
17 | GJW | 0.8635 |
18 | 0HV | 0.8623 |
19 | SDN | 0.8611 |
20 | 517 | 0.8598 |
21 | 30A | 0.8592 |
22 | GKW | 0.8587 |
23 | 0RY | 0.8583 |
24 | OQR | 0.8582 |
25 | XG1 | 0.8554 |
26 | D4X | 0.8531 |
This union binding pocket(no: 1) in the query (biounit: 5ewk.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5YSI | NCA | 11.8421 |
2 | 2A5F | NAD | 27.4611 |