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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 6 families. | |||||
1 | 5V5N | ic50 = 9.5 nM | EDH | C18 H18 N4 O2 | CCCN1c2ccc.... |
2 | 2EVA | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
3 | 4O91 | - | NG2 | C29 H30 F3 N5 O2 | CCN1CCN(CC.... |
4 | 5JGA | ic50 = 2.3 nM | 6KC | C25 H23 N5 O3 S | CN1CCN(CC1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 5V5N | ic50 = 9.5 nM | EDH | C18 H18 N4 O2 | CCCN1c2ccc.... |
2 | 2EVA | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
3 | 4O91 | - | NG2 | C29 H30 F3 N5 O2 | CCN1CCN(CC.... |
4 | 5JGA | ic50 = 2.3 nM | 6KC | C25 H23 N5 O3 S | CN1CCN(CC1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6KC | 1 | 1 |
This union binding pocket(no: 1) in the query (biounit: 5jga.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3M2W | L8I | 27.4247 |
2 | 3RWP | ABQ | 32.4759 |
3 | 1UNH | IXM | 32.5342 |
4 | 4CFU | 2WC | 34.9835 |
5 | 6QF4 | ADP | 36.1905 |
6 | 4X7Q | 3YR | 36.2179 |
7 | 5LPB | ADP | 36.8243 |
8 | 4U44 | 3D9 | 37.3494 |
9 | 6GUE | FB8 | 37.7483 |
10 | 5UIU | 8CG | 39.6285 |
11 | 2QLU | ADE | 40.4459 |
12 | 5QIN | J2V | 40.6349 |
13 | 5JZJ | AN2 | 40.7407 |
14 | 5AX9 | 4KT | 40.9091 |
15 | 5AX9 | 4KT | 40.9091 |
16 | 2VN9 | GVD | 41.196 |
17 | 3BU5 | ATP | 41.8301 |
18 | 3IOK | 1P6 | 42.1725 |
19 | 4U0I | 0LI | 42.2222 |
20 | 1V0O | INR | 42.3611 |
21 | 3GGF | GVD | 42.8571 |
22 | 5NKB | 8ZT | 43.4641 |
23 | 6F3G | CJN | 43.7288 |
24 | 3SRV | S19 | 44.0433 |
25 | 5MJA | 7O3 | 44.5902 |
26 | 4F4P | 0SB | 44.6886 |
27 | 6GQJ | F82 | 44.7619 |
28 | 1BYG | STU | 46.0432 |
29 | 2XVD | AS6 | 46.3576 |
30 | 4TWP | AXI | 46.4945 |
31 | 4TWP | AXI | 46.4945 |
32 | 3SXS | PP2 | 47.0149 |
33 | 2BDJ | HET | 47.3118 |