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- Structure Biounit | Ligand Information
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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 2 families. | |||||
1 | 6O47 | - | LLS | C19 H12 Cl2 N4 O3 | Cc1c(c(n(n.... |
2 | 6MJU | ic50 = 0.0275 uM | JUM | C16 H14 Cl2 N4 O2 | c1c(c2c3c(.... |
3 | 4O67 | - | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
4 | 6MJW | ic50 = 0.0102 uM | JUJ | C18 H16 Cl2 N4 O2 | c1cc(ncc1c.... |
5 | 6LRK | - | ER6 | C17 H17 N3 O2 | c1ccc2c(c1.... |
6 | 6LRI | - | EQR | C14 H12 N4 O5 | c1ccc2c(c1.... |
7 | 6LRC | ic50 = 2.08 uM | KHM | C20 H20 N4 O4 | c1ccc(cc1).... |
8 | 4JLZ | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 6O47 | - | LLS | C19 H12 Cl2 N4 O3 | Cc1c(c(n(n.... |
2 | 6MJU | ic50 = 0.0275 uM | JUM | C16 H14 Cl2 N4 O2 | c1c(c2c3c(.... |
3 | 4O67 | - | 1SY | C20 H24 N10 O13 P2 | c1nc(c2c(n.... |
4 | 6MJW | ic50 = 0.0102 uM | JUJ | C18 H16 Cl2 N4 O2 | c1cc(ncc1c.... |
5 | 6LRK | - | ER6 | C17 H17 N3 O2 | c1ccc2c(c1.... |
6 | 6LRI | - | EQR | C14 H12 N4 O5 | c1ccc2c(c1.... |
7 | 6LRC | ic50 = 2.08 uM | KHM | C20 H20 N4 O4 | c1ccc(cc1).... |
8 | 7BUJ | - | GTP 5GP | n/a | n/a |
9 | 4JLZ | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 1SY | 1 | 1 |
2 | 4UR | 0.695652 | 1 |
3 | 2BA | 0.653061 | 0.916667 |
4 | CMP | 0.653061 | 0.902778 |
5 | 1YD | 0.646018 | 1 |
6 | 4BW | 0.646018 | 1 |
7 | 1YC | 0.612069 | 0.972222 |
8 | KT2 | 0.519084 | 1 |
9 | RP1 | 0.509615 | 0.844156 |
10 | SP1 | 0.509615 | 0.844156 |
11 | 35G | 0.495575 | 0.986111 |
12 | PCG | 0.495575 | 0.986111 |
13 | C2E | 0.495575 | 1 |
14 | 1OR | 0.453782 | 0.741176 |
15 | 9BG | 0.452555 | 0.947368 |
16 | C2X | 0.435028 | 0.8 |
17 | 38V | 0.424658 | 0.911392 |
18 | N6S | 0.419847 | 0.831169 |
19 | N6R | 0.419847 | 0.831169 |
20 | 6SX | 0.417391 | 0.861111 |
21 | 6SW | 0.415254 | 0.944444 |
22 | 6SZ | 0.410256 | 0.916667 |
23 | 7CH | 0.408696 | 0.888889 |
24 | 6JR | 0.407692 | 0.944444 |
25 | 6J7 | 0.4 | 0.934211 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 6mjw.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |