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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 1 families. | |||||
1 | 3HIG | Ki = 13 nM | BRN | C14 H15 N7 | c1cc(ccc1C.... |
2 | 3HII | Ki = 290 nM | PNT | C19 H24 N4 O2 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2PNC | Ki = 466 uM | CLU | C9 H9 Cl2 N3 | c1cc(c(c(c.... |
2 | 3HIG | Ki = 13 nM | BRN | C14 H15 N7 | c1cc(ccc1C.... |
3 | 3HII | Ki = 290 nM | PNT | C19 H24 N4 O2 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BRN | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PT1 | 0.9325 |
2 | OBI | 0.9213 |
3 | 78H | 0.9193 |
4 | GP6 | 0.9123 |
5 | J2Q | 0.9082 |
6 | HCC | 0.9064 |
7 | B4N | 0.9028 |
8 | 2ZT | 0.8973 |
9 | 0VN | 0.8959 |
10 | INV | 0.8941 |
11 | 678 | 0.8940 |
12 | ZQC | 0.8925 |
13 | BAK | 0.8910 |
14 | J2W | 0.8908 |
15 | 8VJ | 0.8901 |
16 | QTH | 0.8901 |
17 | BUN | 0.8885 |
18 | 6ZM | 0.8845 |
19 | WWZ | 0.8843 |
20 | JOQ | 0.8834 |
21 | BAI | 0.8821 |
22 | 01I | 0.8815 |
23 | 797 | 0.8813 |
24 | JZJ | 0.8809 |
25 | BAB | 0.8808 |
26 | D6X | 0.8788 |
27 | G50 | 0.8783 |
28 | JV8 | 0.8778 |
29 | 4WA | 0.8771 |
30 | INW | 0.8763 |
31 | IYX | 0.8747 |
32 | M8J | 0.8743 |
33 | 80R | 0.8741 |
34 | 0J6 | 0.8734 |
35 | J8Y | 0.8729 |
36 | BPM | 0.8723 |
37 | 4KN | 0.8717 |
38 | ORJ | 0.8715 |
39 | 4P9 | 0.8697 |
40 | UDY | 0.8686 |
41 | WDX | 0.8684 |
42 | EWT | 0.8680 |
43 | F2B | 0.8679 |
44 | WDU | 0.8673 |
45 | 946 | 0.8671 |
46 | A9E | 0.8666 |
47 | 675 | 0.8666 |
48 | 17W | 0.8666 |
49 | FFB | 0.8664 |
50 | MBT | 0.8640 |
51 | SBW | 0.8636 |
52 | IOF | 0.8633 |
53 | M87 | 0.8633 |
54 | 4VR | 0.8627 |
55 | 7BJ | 0.8626 |
56 | JPW | 0.8591 |
57 | AYX | 0.8558 |
58 | 3RM | 0.8547 |
59 | F70 | 0.8545 |
60 | 3GG | 0.8529 |
61 | X8W | 0.8523 |
62 | SUA | 0.8510 |
This union binding pocket(no: 1) in the query (biounit: 3hig.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3hig.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |