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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 67 families. | |||||
1 | 3T1A | Ki = 4.3 nM | 5MA | C20 H14 Cl3 N7 O | c1cc2c([nH.... |
2 | 3LAK | - | KR1 | C22 H20 F N5 O3 | Cc1cc(cc(c.... |
3 | 3ISN | Ki = 8 nM | EDM | C9 H13 N3 O2 S | CN(C)c1cc(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 67 families. | |||||
1 | 3T1A | Ki = 4.3 nM | 5MA | C20 H14 Cl3 N7 O | c1cc2c([nH.... |
2 | 3LAK | - | KR1 | C22 H20 F N5 O3 | Cc1cc(cc(c.... |
3 | 3ISN | Ki = 8 nM | EDM | C9 H13 N3 O2 S | CN(C)c1cc(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | EDM | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | HLD | 0.9410 |
2 | 0GZ | 0.9397 |
3 | TNF | 0.9222 |
4 | OTD | 0.9208 |
5 | MJ2 | 0.9204 |
6 | TNL | 0.9203 |
7 | DNC | 0.9201 |
8 | I7A | 0.9199 |
9 | VD8 | 0.9173 |
10 | JKZ | 0.9153 |
11 | 6OT | 0.9109 |
12 | FBU | 0.9052 |
13 | FBG | 0.9037 |
14 | 7CT | 0.9028 |
15 | 67X | 0.9013 |
16 | A13 | 0.9002 |
17 | 0GY | 0.8998 |
18 | 8WZ | 0.8996 |
19 | SYR | 0.8992 |
20 | UFV | 0.8986 |
21 | JR2 | 0.8981 |
22 | MZM | 0.8976 |
23 | 7WR | 0.8975 |
24 | KYA | 0.8958 |
25 | PDC | 0.8948 |
26 | QPR | 0.8926 |
27 | FWB | 0.8911 |
28 | KFH | 0.8906 |
29 | KDO | 0.8897 |
30 | 4KL | 0.8885 |
31 | D07 | 0.8862 |
32 | EY7 | 0.8857 |
33 | 8G0 | 0.8832 |
34 | 9AP | 0.8821 |
35 | II6 | 0.8815 |
36 | LDR | 0.8790 |
37 | OKM | 0.8783 |
38 | PD2 | 0.8777 |
39 | MHK | 0.8763 |
40 | C2U | 0.8761 |
41 | TWO | 0.8759 |
42 | BOQ | 0.8750 |
43 | 1X7 | 0.8748 |
44 | DA4 | 0.8684 |
45 | S3P | 0.8679 |
46 | 7I2 | 0.8653 |
47 | QSH | 0.8642 |
48 | 9UG | 0.8633 |
49 | NQM | 0.8632 |
50 | 4XY | 0.8624 |
51 | 1X8 | 0.8590 |
52 | SYA | 0.8553 |
This union binding pocket(no: 1) in the query (biounit: 3isn.bio1) has 8 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |