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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 18 families. | |||||
1 | 4LA7 | ic50 = 267 nM | A1O | C20 H24 N2 O3 S | CCCN1c2ccc.... |
2 | 5VRO | - | A7S | C20 H23 F N2 O3 S | CCCN1c2ccc.... |
3 | 4DS8 | - | A8S | C15 H20 O4 | CC1=CC(=O).... |
4 | 5JO2 | - | A8S | C15 H20 O4 | CC1=CC(=O).... |
5 | 5JO1 | - | 6LM | C15 H22 O5 | C[C@@H](CC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 13 families. | |||||
1 | 4LA7 | ic50 = 267 nM | A1O | C20 H24 N2 O3 S | CCCN1c2ccc.... |
2 | 5VRO | - | A7S | C20 H23 F N2 O3 S | CCCN1c2ccc.... |
3 | 3KB3 | - | A8S | C15 H20 O4 | CC1=CC(=O).... |
4 | 3QN1 | - | A8S | C15 H20 O4 | CC1=CC(=O).... |
5 | 3ZVU | Kd = 97 uM | A8S | C15 H20 O4 | CC1=CC(=O).... |
6 | 4WVO | ic50 = 32 nM | 3UZ | C23 H22 Cl N O4 | COc1cc(ccc.... |
7 | 5ZCU | ic50 = 2160 nM | PYV | C16 H13 Br N2 O2 S | c1ccc2c(c1.... |
8 | 3UJL | - | A8S | C15 H20 O4 | CC1=CC(=O).... |
9 | 3NMV | - | PYV | C16 H13 Br N2 O2 S | c1ccc2c(c1.... |
10 | 5MN0 | - | A8S | C15 H20 O4 | CC1=CC(=O).... |
11 | 4DS8 | - | A8S | C15 H20 O4 | CC1=CC(=O).... |
12 | 3KDJ | - | A8S | C15 H20 O4 | CC1=CC(=O).... |
13 | 3JRQ | - | A8S | C15 H20 O4 | CC1=CC(=O).... |
14 | 3NMN | - | PYV | C16 H13 Br N2 O2 S | c1ccc2c(c1.... |
15 | 5JO2 | - | A8S | C15 H20 O4 | CC1=CC(=O).... |
16 | 5JO1 | - | 6LM | C15 H22 O5 | C[C@@H](CC.... |
17 | 4OIC | Kd = 31.3 uM | A8S | C15 H20 O4 | CC1=CC(=O).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6LM | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | A8S | 0.9370 |
This union binding pocket(no: 1) in the query (biounit: 5jo1.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |