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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 | 5YTO | Kd = 33 uM | 946 | C19 H19 N O3 | c1ccc2cc(c.... |
2 | 5YTU | Kd = 12 uM | 5FW | C11 H17 N O3 | CC(C)NC[C@.... |
3 | 2WYZ | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
4 | 6FFK | Kd = 37 uM | D7Z | C6 H12 Cl2 N2 Pt | C1CC[C@@H].... |
5 | 6A9O | - | 6B3 | C27 H18 N2 O4 | c1ccc2c(c1.... |
6 | 2WZ0 | - | ZZT | C8 H11 N O | Cc1ccc(c(c.... |
7 | 6SPJ | - | LR2 | C12 H10 N2 O Se | c1ccc(c(c1.... |
8 | 6SPH | - | 9JT | C13 H11 N O Se | c1ccc(cc1).... |
9 | 2WZ6 | - | ZO0 | C15 H17 F3 N4 | CN1CCCN(CC.... |
10 | 2WZ5 | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 5YTO | Kd = 33 uM | 946 | C19 H19 N O3 | c1ccc2cc(c.... |
2 | 5YTU | Kd = 12 uM | 5FW | C11 H17 N O3 | CC(C)NC[C@.... |
3 | 2WYZ | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
4 | 6FFK | Kd = 37 uM | D7Z | C6 H12 Cl2 N2 Pt | C1CC[C@@H].... |
5 | 6A9O | - | 6B3 | C27 H18 N2 O4 | c1ccc2c(c1.... |
6 | 2WZ0 | - | ZZT | C8 H11 N O | Cc1ccc(c(c.... |
7 | 6SPJ | - | LR2 | C12 H10 N2 O Se | c1ccc(c(c1.... |
8 | 6SPH | - | 9JT | C13 H11 N O Se | c1ccc(cc1).... |
9 | 2WZ6 | - | ZO0 | C15 H17 F3 N4 | CN1CCCN(CC.... |
10 | 2WZ5 | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ZO0 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | KB8 | 0.9376 |
2 | 6KN | 0.9253 |
3 | PP1 | 0.9203 |
4 | AB3 | 0.9112 |
5 | PP2 | 0.9084 |
6 | 6KP | 0.9053 |
7 | ABJ | 0.9014 |
8 | 9KQ | 0.8990 |
9 | IRG | 0.8978 |
10 | 8HH | 0.8971 |
11 | P9I | 0.8933 |
12 | 5DN | 0.8932 |
13 | 2T6 | 0.8927 |
14 | EVU | 0.8898 |
15 | 6BD | 0.8894 |
16 | 7M2 | 0.8873 |
17 | IZA | 0.8847 |
18 | 5UU | 0.8845 |
19 | YJD | 0.8822 |
20 | CFK | 0.8814 |
21 | VAR | 0.8796 |
22 | 7NU | 0.8794 |
23 | TQ1 | 0.8784 |
24 | 1AV | 0.8780 |
25 | 5E1 | 0.8764 |
26 | CRZ | 0.8745 |
27 | DCS | 0.8743 |
28 | 25O | 0.8739 |
29 | KS1 | 0.8738 |
30 | HM5 | 0.8737 |
31 | FSZ | 0.8728 |
32 | 5F3 | 0.8722 |
33 | IK1 | 0.8717 |
34 | JWD | 0.8714 |
35 | 07U | 0.8702 |
36 | 5JW | 0.8697 |
37 | 5P3 | 0.8693 |
38 | 3KC | 0.8691 |
39 | JYM | 0.8685 |
40 | 2GE | 0.8683 |
41 | LZC | 0.8673 |
42 | 7BD | 0.8670 |
43 | VGG | 0.8662 |
44 | RB1 | 0.8652 |
45 | L32 | 0.8644 |
46 | HKK | 0.8631 |
47 | IQ1 | 0.8601 |
48 | UI2 | 0.8592 |
This union binding pocket(no: 1) in the query (biounit: 6ffk.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6ffk.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6ffk.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 6ffk.bio2) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |