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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 420 families. | |||||
1 | 4QAC | Kd = 0.0004 uM | KK3 | C17 H19 F3 N4 | CC1CCN(CC1.... |
2 | 1UW6 | Kd = 45.2 nM | NCT | C10 H14 N2 | C[N@@]1CCC.... |
3 | 3WTM | Kd = 0.1 uM | N1Y | C10 H11 Cl N4 O2 | c1cc(ncc1C.... |
4 | 5J5G | Kd = 0.03 uM | 6GF | C23 H22 N6 O | COc1ccc(cc.... |
5 | 3WTN | Kd = 0.091 uM | N2Y | C9 H11 Cl N4 | [H]/N=C1/N.... |
6 | 4ALX | Ki = 52 nM | IZN | C16 H21 N O3 | CO[C@H]1CC.... |
7 | 1UV6 | Kd = 7575 nM | CCE | C6 H15 N2 O2 | C[N+](C)(C.... |
8 | 3ZDG | Ki = 0.079 uM | XRX | C9 H20 N2 O2 | C[C@H](CCO.... |
9 | 5J5I | Kd = 0.13 uM | 6GM | C22 H20 N6 O | c1ccnc(c1).... |
10 | 5J5F | Kd = 0.33 uM | 6GH | C20 H18 N6 S | c1ccnc(c1).... |
11 | 3ZDH | Ki = 0.045 uM | XRS | C10 H19 N3 O | C[C@H](CCO.... |
12 | 3WTL | Kd = 0.092 uM | N1Y | C10 H11 Cl N4 O2 | c1cc(ncc1C.... |
13 | 3WTO | Kd = 0.119 uM | N2Y | C9 H11 Cl N4 | [H]/N=C1/N.... |
14 | 3WTJ | Kd = 0.297 uM | TH4 | C10 H9 Cl N4 S | c1cc(ncc1C.... |
15 | 5AFK | ic50 = 132 uM | 5VU | C11 H12 F2 N2 O | c1cc(c(cc1.... |
16 | 5AFN | ic50 = 34 uM | OJD | C12 H15 N O | c1ccc(cc1).... |
17 | 5AFJ | ic50 = 42 uM | 42R | C13 H14 Br N O2 | C[C@@]1(CN.... |
18 | 5AFL | ic50 = 398 uM | FHV | C12 H16 N2 O | Cc1cccc(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 319 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 | KK3 | 1 | 1 |
This union binding pocket(no: 1) in the query (biounit: 4qac.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4qac.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4qac.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4qac.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 4qac.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 4qac.bio2) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 4qac.bio2) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 4qac.bio2) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 4qac.bio2) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 10) in the query (biounit: 4qac.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |