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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 214 families. | |||||
1 | 2WNC | Kd = 479 nM | TKT | C17 H20 N2 O2 | CN1[C@H]2C.... |
2 | 2XYT | Ki = 509.2 nM | TC9 | C37 H42 N2 O6 | C[N@H+]1CC.... |
3 | 2YMD | Kd = 693 uM | SRO | C10 H12 N2 O | c1cc2c(cc1.... |
4 | 4DBM | Kd = 24 nM | 0J0 | C22 H28 N5 O2 | CN1c2ccccc.... |
5 | 3C79 | Kd = 63 nM | IM4 | C9 H10 Cl N5 O2 | c1cc(ncc1C.... |
6 | 2BYR | Kd = 2.8 nM | MLK | C37 H50 N2 O10 | CC[N@]1C[C.... |
7 | 4XHE | - | 40P | C41 H61 N O9 | C[C@H]1C[C.... |
8 | 2WNJ | Kd = 330 nM | ZY7 | C19 H20 N2 O2 | COc1ccc(c(.... |
9 | 2BYS | Kd = 0.3 nM | LOB | C22 H27 N O2 | C[N@@]1[C@.... |
10 | 2PGZ | Kd = 1.8 uM | COC | C17 H21 N O4 | C[N@]1[C@H.... |
11 | 2XNV | Ki = 5 uM | VU3 | C21 H24 N2 | c1ccc(cc1).... |
12 | 5AIN | - | QMR | C13 H13 N3 | c1cnc2cc3c.... |
13 | 2WN9 | Kd = 3 nM | ZY5 | C18 H18 N2 O2 | COc1cc(ccc.... |
14 | 3C84 | Kd = 14 nM | TH4 | C10 H9 Cl N4 S | c1cc(ncc1C.... |
15 | 2XYS | Ki = 38 nM | SY9 | C21 H22 N2 O2 | c1ccc2c(c1.... |
16 | 4BFQ | - | 083 | C21 H18 N6 | Cc1cc(nc(n.... |
17 | 4XK9 | - | 41J | C42 H63 N O7 | C[C@H]1C[C.... |
18 | 2YME | Kd = 343 uM | CWB | C18 H24 N4 O | Cn1c2ccccc.... |
19 | 5LXB | - | 7A9 | C19 H24 N2 O | c1cc2c3c(c.... |
20 | 4ZJS | - | 4P0 | C10 H15 N O | CC(=O)C1=C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 2XYT | Ki = 509.2 nM | TC9 | C37 H42 N2 O6 | C[N@H+]1CC.... |
2 | 2YMD | Kd = 693 uM | SRO | C10 H12 N2 O | c1cc2c(cc1.... |
3 | 4QAC | Kd = 0.0004 uM | KK3 | C17 H19 F3 N4 | CC1CCN(CC1.... |
4 | 1UW6 | Kd = 45.2 nM | NCT | C10 H14 N2 | C[N@@]1CCC.... |
5 | 3WTM | Kd = 0.1 uM | N1Y | C10 H11 Cl N4 O2 | c1cc(ncc1C.... |
6 | 5J5G | Kd = 0.03 uM | 6GF | C23 H22 N6 O | COc1ccc(cc.... |
7 | 3WTN | Kd = 0.091 uM | N2Y | C9 H11 Cl N4 | [H]/N=C1/N.... |
8 | 4ALX | Ki = 52 nM | IZN | C16 H21 N O3 | CO[C@H]1CC.... |
9 | 1UV6 | Kd = 7575 nM | CCE | C6 H15 N2 O2 | C[N+](C)(C.... |
10 | 5AFH | - | L0B | C22 H27 N O2 | CN1[C@@H](.... |
11 | 5OUH | - | L0B | C22 H27 N O2 | CN1[C@@H](.... |
12 | 5AFK | ic50 = 132 uM | 5VU | C11 H12 F2 N2 O | c1cc(c(cc1.... |
13 | 5AFN | ic50 = 34 uM | OJD | C12 H15 N O | c1ccc(cc1).... |
14 | 4UXU | - | MLK | C37 H50 N2 O10 | CC[N@]1C[C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TC9 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 7) in the query (biounit: 2bys.bio1) has 140 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4AFH | L0B | 33.0396 |
2 | 4AFH | L0B | 33.0396 |
This union binding pocket(no: 9) in the query (biounit: 2bys.bio1) has 150 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4AFH | L0B | 33.0396 |
2 | 4AFH | L0B | 33.0396 |