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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 4 families. | |||||
1 | 1Y7L | Ki = 130 nM | GLY ILE ASP ASP GLY MET ASN LEU ASN ILE | n/a | n/a |
2 | 3IQG | Kd = 24.9 uM | MET ASN TRP ASN ILE | n/a | n/a |
3 | 3IQH | Kd = 25.8 uM | MET ASN TYR ASP ILE | n/a | n/a |
4 | 3IQI | Kd = 38.7 uM | MET ASN GLU ASN ILE | n/a | n/a |
5 | 4LMB | Kd = 186 uM | CYS CYS | n/a | n/a |
6 | 1D6S | Kd = 78 uM | MET PLP | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1Y7L | Ki = 130 nM | GLY ILE ASP ASP GLY MET ASN LEU ASN ILE | n/a | n/a |
2 | 3IQG | Kd = 24.9 uM | MET ASN TRP ASN ILE | n/a | n/a |
3 | 3IQH | Kd = 25.8 uM | MET ASN TYR ASP ILE | n/a | n/a |
4 | 3IQI | Kd = 38.7 uM | MET ASN GLU ASN ILE | n/a | n/a |
5 | 4LMB | Kd = 186 uM | CYS CYS | n/a | n/a |
6 | 5I7A | Kd = 0.32 uM | 68Q | C14 H10 Cl2 N2 O3 | c1cc(cc(c1.... |
7 | 5I7R | Kd = 1.7 uM | 68W | C20 H16 N2 O3 | c1ccc(cc1).... |
8 | 5I7O | Kd = 3.4 uM | S16 | C14 H11 Cl N2 O3 | c1cc(cc(c1.... |
9 | 5I6D | Kd = 8 uM | AU6 | C15 H14 N2 O3 | Cc1ccc(cc1.... |
10 | 5IW8 | Kd = 2.2 uM | 6EC | C20 H16 N2 O4 | c1ccc(cc1).... |
11 | 3X44 | - | PUS | C12 H17 N4 O9 P | Cc1c(c(c(c.... |
12 | 2Q3D | - | PDA | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
13 | 2Q3C | Ki = 5 uM | ASP PHE SER ILE | n/a | n/a |
14 | 3ZEI | ic50 = 0.103 uM | AWH | C20 H16 N2 O6 S | CN1C(=O)/C.... |
15 | 4IL5 | - | ILE | C6 H13 N O2 | CC[C@H](C).... |
16 | 4JBN | - | SER PRO SER ILE | n/a | n/a |
17 | 4JBL | Kd = 0.54 mM | MET | C5 H11 N O2 S | CSCC[C@@H].... |
18 | 3BM5 | Kd = 1.1 mM | CYS | C3 H7 N O2 S | C([C@@H](C.... |
19 | 1D6S | Kd = 78 uM | MET PLP | n/a | n/a |
20 | 3VC3 | - | C6P | C11 H17 N2 O7 P S | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MET ASN TYR ASP ILE | 1 | 1 |
2 | TYR ASP GLN ILE LEU | 0.478723 | 0.933333 |
3 | ASP ASP ASP ASP TYR | 0.474359 | 0.883721 |
4 | MET ASN GLU ASN ILE | 0.45 | 0.744681 |
5 | THR ASN GLU TYR TYR VAL | 0.449438 | 0.816327 |
6 | ILE ASN PHE ASP PHE ASN THR ILE | 0.447917 | 0.816327 |
7 | GLY ILE ASP ASP GLY MET ASN LEU ASN ILE | 0.435897 | 0.76087 |
8 | VAL TYR | 0.432432 | 0.837209 |
9 | 485 | 0.426829 | 0.72 |
10 | SER PRO SER ILE | 0.422535 | 0.723404 |
11 | ACE 1PA GLU GLU ILE | 0.420455 | 0.76087 |
12 | TYR VAL ASP GLY ALA | 0.419355 | 0.816327 |
13 | TYR LEU ASP SER GLY ILE HIS SER GLY ALA | 0.417582 | 0.87234 |
14 | ASP PHE SER ILE | 0.41573 | 0.791667 |
15 | PRO ASP ASP ILE SEP THR VAL VAL | 0.414141 | 0.649123 |
16 | TYR GLU TRP | 0.412371 | 0.711538 |
17 | GLU GLU GLN GLU GLU TYR | 0.409639 | 0.822222 |
18 | ASP ARG VAL TYR | 0.406593 | 0.933333 |
19 | TYC | 0.40625 | 0.714286 |
20 | GLY ALA PHE THR PHE ASN GLU ASP PHE | 0.403846 | 0.74 |
21 | MET ASN TRP ASN ILE | 0.402062 | 0.716981 |
No: | Ligand | Similarity coefficient |
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