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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 1331 families. | |||||
1 | 4DKQ | Kd = 0.25 uM | 0LK | C18 H17 Cl F N5 O2 | [H]/N=C(N).... |
2 | 4DVX | - | 0M5 | C16 H19 Cl F N3 O2 | c1cc(c(cc1.... |
3 | 6ONE | - | MVY | C14 H16 Cl F N2 O3 | COC(=O)N1C.... |
4 | 6OOO | - | MXJ | C16 H22 Cl F N4 O2 | CCCNC(=O)N.... |
5 | 4I54 | Kd = 110 nM | 1C1 | C19 H20 Cl F N5 O2 | c1ccc2c(c1.... |
6 | 4DVW | - | 0M4 | C16 H19 Cl F N3 O2 | c1cc(c(cc1.... |
7 | 6ONH | - | MWD | C16 H21 Cl F N3 O2 | CCCNC(=O)N.... |
8 | 4DKP | Kd = 1.9 uM | 0LL | C17 H15 Cl F N3 O2 | c1ccc2c(c1.... |
9 | 6USW | - | O51 | C15 H20 Cl F N4 O2 | c1cc(c(cc1.... |
10 | 4RZ8 | ic50 ~ 270 nM | 3ZM | C22 H25 Cl N4 O2 S | Cc1c(sc(n1.... |
11 | 5U6E | - | 82M | C18 H18 Cl F N4 O2 S | Cc1c(sc(n1.... |
12 | 6ONF | - | MW4 | C15 H18 Cl F N2 O3 | CCOC(=O)N1.... |
13 | 4DVT | - | 0LZ | C18 H17 Cl F N3 O2 | c1ccc2c(c1.... |
14 | 4DKR | Kd = 0.3 uM | 0LJ | C18 H17 Cl F N5 O2 | [H]/N=C(/N.... |
15 | 4DVV | - | 0M1 | C15 H19 Cl F N3 O4 | CC1(O[C@H].... |
16 | 4DKO | Kd = 0.3 uM | 0LM | C18 H25 Cl F N3 O2 | CC1(CC(CC(.... |
17 | 4DVS | - | 0LY | C17 H24 Br N3 O2 | CC1(CC(CC(.... |
18 | 4I53 | Kd = 110 nM | 1C1 | C19 H20 Cl F N5 O2 | c1ccc2c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4DKQ | Kd = 0.25 uM | 0LK | C18 H17 Cl F N5 O2 | [H]/N=C(N).... |
2 | 4DVX | - | 0M5 | C16 H19 Cl F N3 O2 | c1cc(c(cc1.... |
3 | 6ONE | - | MVY | C14 H16 Cl F N2 O3 | COC(=O)N1C.... |
4 | 6OOO | - | MXJ | C16 H22 Cl F N4 O2 | CCCNC(=O)N.... |
5 | 4I54 | Kd = 110 nM | 1C1 | C19 H20 Cl F N5 O2 | c1ccc2c(c1.... |
6 | 4DVW | - | 0M4 | C16 H19 Cl F N3 O2 | c1cc(c(cc1.... |
7 | 6ONH | - | MWD | C16 H21 Cl F N3 O2 | CCCNC(=O)N.... |
8 | 4DKP | Kd = 1.9 uM | 0LL | C17 H15 Cl F N3 O2 | c1ccc2c(c1.... |
9 | 6USW | - | O51 | C15 H20 Cl F N4 O2 | c1cc(c(cc1.... |
10 | 4RZ8 | ic50 ~ 270 nM | 3ZM | C22 H25 Cl N4 O2 S | Cc1c(sc(n1.... |
11 | 5U6E | - | 82M | C18 H18 Cl F N4 O2 S | Cc1c(sc(n1.... |
12 | 6ONF | - | MW4 | C15 H18 Cl F N2 O3 | CCOC(=O)N1.... |
13 | 4DVT | - | 0LZ | C18 H17 Cl F N3 O2 | c1ccc2c(c1.... |
14 | 4DKR | Kd = 0.3 uM | 0LJ | C18 H17 Cl F N5 O2 | [H]/N=C(/N.... |
15 | 4DVV | - | 0M1 | C15 H19 Cl F N3 O4 | CC1(O[C@H].... |
16 | 4DKO | Kd = 0.3 uM | 0LM | C18 H25 Cl F N3 O2 | CC1(CC(CC(.... |
17 | 4DVS | - | 0LY | C17 H24 Br N3 O2 | CC1(CC(CC(.... |
18 | 4I53 | Kd = 110 nM | 1C1 | C19 H20 Cl F N5 O2 | c1ccc2c(c1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 16L | 0.8675 |
This union binding pocket(no: 1) in the query (biounit: 4i54.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4i54.bio2) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |