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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 3 families. | |||||
1 | 3PN1 | Ki = 110 nM | IVH | C14 H21 N5 O4 S | CCCCSc1nc(.... |
2 | 4UFZ | - | IWH | C15 H16 N2 O2 | Cc1ccc(c(c.... |
3 | 3UQ8 | Kd = 45 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1TA8 | - | NMN | C11 H16 N2 O8 P | c1cc(c[n+].... |
2 | 4LH7 | ic50 = 34 uM | 1X8 | C9 H8 N4 O2 S | c1c2c(c(cn.... |
3 | 4LH6 | ic50 = 77 uM | 1X7 | C8 H6 Br N3 O S | c1c2c(c(cn.... |
4 | 5FPO | - | 10L | C7 H7 N3 | c1cc2cn[nH.... |
5 | 5FPR | - | LGA | C4 H5 N3 | c1cnc(nc1).... |
6 | 4CC6 | ic50 = 0.23 uM | L5Y | C14 H12 F3 N5 O | c1cncc2c1c.... |
7 | 4CC5 | Kd = 38 uM | L5V | C6 H4 Cl N5 | c1c(nc(cn1.... |
8 | 4GLW | Kd = 0.8 uM | 0XT | C8 H10 N6 O | Cc1c(nc2c(.... |
9 | 3PN1 | Ki = 110 nM | IVH | C14 H21 N5 O4 S | CCCCSc1nc(.... |
10 | 4UFZ | - | IWH | C15 H16 N2 O2 | Cc1ccc(c(c.... |
11 | 3UQ8 | Kd = 45 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | IVH | 1 | 1 |
2 | 2FA | 0.567568 | 0.805195 |
3 | 6AD | 0.5 | 0.807229 |
4 | 6CR | 0.493671 | 0.794872 |
5 | ADN | 0.493333 | 0.835616 |
6 | RAB | 0.493333 | 0.835616 |
7 | XYA | 0.493333 | 0.835616 |
8 | MTA | 0.428571 | 0.813333 |
9 | MTP | 0.419753 | 0.864865 |
10 | 3DH | 0.418605 | 0.837838 |
11 | 26A | 0.414634 | 0.779221 |
12 | 1DA | 0.414634 | 0.835616 |
13 | 6MD | 0.414634 | 0.824324 |
14 | 5N5 | 0.407407 | 0.810811 |
15 | EO7 | 0.406593 | 0.648936 |
16 | EP4 | 0.404762 | 0.769231 |
17 | 5CD | 0.402439 | 0.773333 |
18 | A4D | 0.402439 | 0.835616 |
19 | DSH | 0.4 | 0.78481 |
20 | M2T | 0.4 | 0.772152 |
21 | DTA | 0.4 | 0.75641 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | O54 | 0.8636 |
This union binding pocket(no: 1) in the query (biounit: 3pn1.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |