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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 209 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 = 549 nM | 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 174 families. | |||||
1 | 2WNC | Kd = 479 nM | TKT | C17 H20 N2 O2 | CN1[C@H]2C.... |
2 | 4DBM | Kd = 24 nM | 0J0 | C22 H28 N5 O2 | CN1c2ccccc.... |
3 | 3C79 | Kd = 63 nM | IM4 | C9 H10 Cl N5 O2 | c1cc(ncc1C.... |
4 | 2BYR | Kd = 2.8 nM | MLK | C37 H50 N2 O10 | CC[N@]1C[C.... |
5 | 4XHE | - | 40P | C41 H61 N O9 | C[C@H]1C[C.... |
6 | 2WNJ | Kd = 330 nM | ZY7 | C19 H20 N2 O2 | COc1ccc(c(.... |
7 | 2BYS | Kd = 0.3 nM | LOB | C22 H27 N O2 | C[N@@]1[C@.... |
8 | 2PGZ | Kd = 1.8 uM | COC | C17 H21 N O4 | C[N@]1[C@H.... |
9 | 2XNV | Ki = 5 uM | VU3 | C21 H24 N2 | c1ccc(cc1).... |
10 | 5AIN | - | QMR | C13 H13 N3 | c1cnc2cc3c.... |
11 | 2WN9 | Kd = 3 nM | ZY5 | C18 H18 N2 O2 | COc1cc(ccc.... |
12 | 3C84 | Kd = 14 nM | TH4 | C10 H9 Cl N4 S | c1cc(ncc1C.... |
13 | 2XYS | Ki = 38 nM | SY9 | C21 H22 N2 O2 | c1ccc2c(c1.... |
14 | 4BFQ | - | 083 | C21 H18 N6 | Cc1cc(nc(n.... |
15 | 4XK9 | - | 41J | C42 H63 N O7 | C[C@H]1C[C.... |
16 | 2YME | Kd = 549 nM | CWB | C18 H24 N4 O | Cn1c2ccccc.... |
17 | 3ZDG | Ki = 0.079 uM | XRX | C9 H20 N2 O2 | C[C@H](CCO.... |
18 | 5J5I | Kd = 0.13 uM | 6GM | C22 H20 N6 O | c1ccnc(c1).... |
19 | 5J5F | Kd = 0.33 uM | 6GH | C20 H18 N6 S | c1ccnc(c1).... |
20 | 3ZDH | Ki = 0.045 uM | XRS | C10 H19 N3 O | C[C@H](CCO.... |
21 | 3WTL | Kd = 0.092 uM | N1Y | C10 H11 Cl N4 O2 | c1cc(ncc1C.... |
22 | 3WTO | Kd = 0.119 uM | N2Y | C9 H11 Cl N4 | [H]/N=C1/N.... |
23 | 3WTJ | Kd = 0.297 uM | TH4 | C10 H9 Cl N4 S | c1cc(ncc1C.... |
24 | 5AFJ | ic50 = 42 uM | 42R | C13 H14 Br N O2 | C[C@@]1(CN.... |
25 | 5AFL | ic50 = 398 uM | FHV | C12 H16 N2 O | Cc1cccc(c1.... |
26 | 5LXB | - | 7A9 | C19 H24 N2 O | c1cc2c3c(c.... |
27 | 4ZJS | - | 4P0 | C10 H15 N O | CC(=O)C1=C.... |
This union binding pocket(no: 2) in the query (biounit: 2bys.bio2) has 122 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4OUJ | LBT | 1.32159 |
2 | 1USF | NAP | 3.93258 |
3 | 5KJW | 53C | 4.84582 |
4 | 3G1Z | AMP | 5.28634 |
5 | 6GPA | GAL | 5.72687 |
6 | 2G30 | ALA ALA PHE | 6.60793 |
7 | 2F6U | CIT | 6.60793 |
8 | 3REU | ATP | 6.60793 |
9 | 1I1E | DM2 | 7.48899 |
10 | 2H8Z | 8CM | 8.37004 |
11 | 2I4O | ATP | 11.8943 |
12 | 5FUI | APY | 12.1212 |
This union binding pocket(no: 5) in the query (biounit: 2bys.bio2) has 125 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4WOE | ADP | 4.40529 |
This union binding pocket(no: 6) in the query (biounit: 2bys.bio1) has 144 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5D9G | GLU ASN LEU TYR PHE GLN | None |
2 | 5TV6 | PML | None |
3 | 1RJW | ETF | 1.76211 |
4 | 6FA4 | D1W | 2.31214 |
5 | 4MOB | ADP | 3.52423 |
6 | 3CBC | DBS | 4.54545 |
7 | 3SAO | DBH | 5 |
8 | 3QPB | URA | 5.28634 |
9 | 2XG5 | EC5 | 5.50459 |
10 | 2XG5 | EC2 | 5.50459 |
11 | 2VDF | OCT | 11.4537 |
This union binding pocket(no: 7) in the query (biounit: 2bys.bio1) has 140 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1VMK | GUN | 2.20264 |
2 | 1RYD | GLC | 2.64317 |
This union binding pocket(no: 8) in the query (biounit: 2bys.bio1) has 147 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 2bys.bio1) has 150 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3SBZ | MLI | 4.40529 |
2 | 4LO6 | SIA GAL | 8.42105 |
3 | 3I7V | B4P | 9.70149 |
4 | 1PVC | ILE SER GLU VAL | 23.5294 |
This union binding pocket(no: 10) in the query (biounit: 2bys.bio1) has 145 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |