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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 101 families. | |||||
1 | 5VCZ | Kd = 444 nM | XZN | C26 H29 Cl2 N5 O3 | CN1CCN(CC1.... |
2 | 5VD1 | Kd = 990 nM | P48 | C25 H32 N8 O | CC1(Cc2cnc.... |
3 | 5VCV | Kd = 150 nM | 1N1 | C22 H26 Cl N7 O2 S | Cc1cccc(c1.... |
4 | 5VD0 | Kd = 324 nM | 8X7 | C27 H32 N8 O2 | CC(C)(c1cc.... |
5 | 5VCW | Kd = 1105 nM | 93J | C24 H23 Cl F N5 O2 | CCOc1cc2c(.... |
6 | 5VD3 | Kd = 2817 nM | H8H | C27 H32 Cl N5 O5 | CN1CCN(CC1.... |
7 | 5VCY | Kd = 270 nM | DB8 | C26 H29 Cl2 N5 O3 | CN1CCN(CC1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 70 families. | |||||
1 | 5VCZ | Kd = 444 nM | XZN | C26 H29 Cl2 N5 O3 | CN1CCN(CC1.... |
2 | 5VD1 | Kd = 990 nM | P48 | C25 H32 N8 O | CC1(Cc2cnc.... |
3 | 5VCV | Kd = 150 nM | 1N1 | C22 H26 Cl N7 O2 S | Cc1cccc(c1.... |
4 | 5VD0 | Kd = 324 nM | 8X7 | C27 H32 N8 O2 | CC(C)(c1cc.... |
5 | 5VCW | Kd = 1105 nM | 93J | C24 H23 Cl F N5 O2 | CCOc1cc2c(.... |
6 | 5VD3 | Kd = 2817 nM | H8H | C27 H32 Cl N5 O5 | CN1CCN(CC1.... |
7 | 5VCY | Kd = 270 nM | DB8 | C26 H29 Cl2 N5 O3 | CN1CCN(CC1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 93J | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IRE | 0.8937 |
This union binding pocket(no: 1) in the query (biounit: 5vcv.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6JKM | ADP | 8.36013 |
2 | 2H8H | H8H | 22.1865 |
3 | 1U59 | STU | 22.9965 |
4 | 3BU5 | ATP | 23.2026 |
5 | 2WU6 | DKI | 26.045 |
6 | 6FYV | 3NG | 27.0096 |
7 | 5X8I | SQZ | 27.3312 |
8 | 6G33 | 5ID | 27.3312 |
9 | 6G33 | 5ID | 27.3312 |
10 | 5LPZ | ADP | 27.6527 |
11 | 4OH4 | ANP | 27.6527 |
12 | 3IOK | 1P6 | 28.9389 |
13 | 5LPB | ADP | 29.0541 |
14 | 2PVF | ACP | 31.1897 |
15 | 2ZV2 | 609 | 31.2081 |
16 | 1UNH | IXM | 31.5068 |
17 | 1UNH | IXM | 31.5068 |
18 | 3O0G | 3O0 | 31.5068 |
19 | 3SRV | S19 | 31.769 |
20 | 3SRV | S19 | 31.769 |
21 | 5MJA | 7O3 | 32.7869 |
22 | 4NM5 | ADP | 36.3344 |
23 | 3VRY | B43 | 37.9421 |
24 | 5H2U | 1N1 | 39.7004 |
25 | 2VN9 | GVD | 40.5316 |
26 | 2VN9 | GVD | 40.5316 |
27 | 4CFU | 2WC | 40.5941 |
28 | 4CFU | 2WC | 40.5941 |
29 | 6GUE | FB8 | 40.7285 |
30 | 4BCN | T9N | 41 |
31 | 4BCN | T9N | 41 |
32 | 1U5R | ATP | 42.7653 |
33 | 1U5R | ATP | 42.7653 |
34 | 2HK5 | 1BM | 42.963 |
35 | 2A19 | ANP | 43.662 |
36 | 2V7O | DRN | 45.0161 |
37 | 5VC5 | 96M | 49.1349 |