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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 21 families. | |||||
1 | 2XJ7 | Kd = 246 nM | GC2 | C10 H18 N2 O4 | CC(=O)N[C@.... |
2 | 2WZH | - | NGO | C8 H14 N O5 | CC1=[NH+][.... |
3 | 4AIU | - | GC3 | C8 H13 N O6 | C([C@@H]1[.... |
4 | 2VVS | Ki = 46 nM | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
5 | 2W66 | Ki = 89 uM | HQ6 | C9 H18 N2 O5 | CC(=O)N[C@.... |
6 | 2X0H | - | 14T | C14 H15 F4 N O6 | c1cc(c(cc1.... |
7 | 5ABG | Ki = 9 nM | V0N | C17 H25 F N2 O4 | CNC(=O)C[C.... |
8 | 4AIS | - | GOA | C2 H4 O3 | C(C(=O)O)O |
9 | 2XM1 | Kd = 8.5 uM | LTM | C8 H14 N2 O5 | CC(=O)N[C@.... |
10 | 2W4X | Kd = 14 uM | STZ | C8 H15 N3 O7 | CN(C(=O)N[.... |
11 | 4UR9 | Kd = 3.1 mM | BK9 | C10 H10 N2 O | CCOc1c2ccc.... |
12 | 2WCA | - | NP6 | C17 H23 N3 O7 | CCCC(=O)N[.... |
13 | 2VVN | - | NHT | C9 H16 N2 O4 S | CCNC1=N[C@.... |
14 | 5ABE | Ki = 890 uM | XQO | C13 H26 N2 O4 | CCCCCN1[C@.... |
15 | 2J4G | Ki = 0.25 uM | NB1 | C10 H17 N O4 S | CCCC1=N[C@.... |
16 | 5MI7 | - | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
17 | 5MI5 | - | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
18 | 2WZI | - | 5FN | C8 H12 F N O5 | CC1=N[C@@H.... |
19 | 2JIW | - | BEU | C9 H16 N2 O4 | CC(=O)N[C@.... |
20 | 2W67 | Ki = 11 uM | F34 | C8 H16 N2 O4 | CC(=O)N[C@.... |
21 | 5ABH | Ki = 1.7 nM | YWN | C13 H26 N2 O4 | CCCCCN1[C@.... |
22 | 2XM2 | Ki = 24 uM | LOG | C8 H14 N2 O6 | CC(=O)N[C@.... |
23 | 5MI6 | - | NHT | C9 H16 N2 O4 S | CCNC1=N[C@.... |
24 | 2J47 | Ki = 3.9 uM | GDV | C17 H21 N4 O5 | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 16 families. | |||||
1 | 2XJ7 | Kd = 246 nM | GC2 | C10 H18 N2 O4 | CC(=O)N[C@.... |
2 | 2WZH | - | NGO | C8 H14 N O5 | CC1=[NH+][.... |
3 | 4AIU | - | GC3 | C8 H13 N O6 | C([C@@H]1[.... |
4 | 2VVS | Ki = 46 nM | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
5 | 2W66 | Ki = 89 uM | HQ6 | C9 H18 N2 O5 | CC(=O)N[C@.... |
6 | 2X0H | - | 14T | C14 H15 F4 N O6 | c1cc(c(cc1.... |
7 | 5ABG | Ki = 9 nM | V0N | C17 H25 F N2 O4 | CNC(=O)C[C.... |
8 | 4AIS | - | GOA | C2 H4 O3 | C(C(=O)O)O |
9 | 2XM1 | Kd = 8.5 uM | LTM | C8 H14 N2 O5 | CC(=O)N[C@.... |
10 | 2W4X | Kd = 14 uM | STZ | C8 H15 N3 O7 | CN(C(=O)N[.... |
11 | 4UR9 | Kd = 3.1 mM | BK9 | C10 H10 N2 O | CCOc1c2ccc.... |
12 | 2WCA | - | NP6 | C17 H23 N3 O7 | CCCC(=O)N[.... |
13 | 2VVN | - | NHT | C9 H16 N2 O4 S | CCNC1=N[C@.... |
14 | 5ABE | Ki = 890 uM | XQO | C13 H26 N2 O4 | CCCCCN1[C@.... |
15 | 2J4G | Ki = 0.25 uM | NB1 | C10 H17 N O4 S | CCCC1=N[C@.... |
16 | 5MI7 | - | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
17 | 5MI5 | - | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
18 | 2WZI | - | 5FN | C8 H12 F N O5 | CC1=N[C@@H.... |
19 | 2JIW | - | BEU | C9 H16 N2 O4 | CC(=O)N[C@.... |
20 | 2W67 | Ki = 11 uM | F34 | C8 H16 N2 O4 | CC(=O)N[C@.... |
21 | 5ABH | Ki = 1.7 nM | YWN | C13 H26 N2 O4 | CCCCCN1[C@.... |
22 | 2XM2 | Ki = 24 uM | LOG | C8 H14 N2 O6 | CC(=O)N[C@.... |
23 | 5MI6 | - | NHT | C9 H16 N2 O4 S | CCNC1=N[C@.... |
24 | 2J47 | Ki = 3.9 uM | GDV | C17 H21 N4 O5 | CC(=O)N[C@.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | OAN | 0.9025 |
This union binding pocket(no: 1) in the query (biounit: 5abh.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |