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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TRP GLY | 1 | 1 |
2 | LTN | 0.631579 | 0.744186 |
3 | TRP | 0.6 | 0.704545 |
4 | DTR | 0.6 | 0.704545 |
5 | VSK | 0.581081 | 0.692308 |
6 | TR7 | 0.5625 | 0.638298 |
7 | GLU ASP ASN ASP TRP ASN | 0.506329 | 0.795918 |
8 | LYS TRP | 0.487179 | 0.891304 |
9 | 4Z9 | 0.484375 | 0.608696 |
10 | 3IL | 0.484375 | 0.608696 |
11 | ASP TRP ASN | 0.47561 | 0.795918 |
12 | MET ASN TRP ASN ILE | 0.465909 | 0.735849 |
13 | 61P | 0.450549 | 0.607143 |
14 | R38 | 0.447368 | 0.770833 |
15 | R59 | 0.447368 | 0.770833 |
16 | TYR GLU TRP | 0.444444 | 0.764706 |
17 | TSR | 0.442623 | 0.697674 |
18 | ACE GLU TRP TRP TRP | 0.435294 | 0.76 |
19 | TRP GLU GLU LEU | 0.431818 | 0.764706 |
20 | LYS TRP LYS | 0.425287 | 0.836735 |
21 | ASP ASP TRP ASN TRP GLU VAL GLU ASP | 0.42 | 0.709091 |
22 | IAG | 0.414286 | 0.866667 |
23 | 9A5 | 0.411215 | 0.610169 |
24 | PCA ASN TRP | 0.402174 | 0.784314 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 41L | 0.9301 |
2 | 103 | 0.9059 |
3 | 6U5 | 0.8955 |
4 | KMG | 0.8922 |
5 | 100 | 0.8884 |
6 | 5ER | 0.8882 |
7 | Q2S | 0.8839 |
8 | TMP | 0.8811 |
9 | WDT | 0.8806 |
10 | 1Q2 | 0.8794 |
11 | 1Q1 | 0.8768 |
12 | AV4 | 0.8762 |
13 | 1RB | 0.8748 |
14 | 2JP | 0.8742 |
15 | 5V3 | 0.8735 |
16 | SNP | 0.8720 |
17 | C4F | 0.8720 |
18 | 88S | 0.8719 |
19 | 7RP | 0.8712 |
20 | IGP | 0.8696 |
21 | IPL | 0.8685 |
22 | D9Q | 0.8680 |
23 | 5P7 | 0.8674 |
24 | 159 | 0.8666 |
25 | C0V | 0.8663 |
26 | WG8 | 0.8646 |
27 | 3RC | 0.8636 |
28 | LIT | 0.8633 |
29 | 8WW | 0.8625 |
30 | 4ZF | 0.8600 |
31 | BDE | 0.8598 |
32 | RKY | 0.8596 |
33 | 5HG | 0.8595 |
34 | BZH | 0.8583 |
35 | MTI | 0.8576 |
36 | FUL PK6 | 0.8560 |
37 | 3WO | 0.8555 |
38 | 3WN | 0.8555 |
39 | RAY | 0.8551 |
This union binding pocket(no: 1) in the query (biounit: 4ics.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4ics.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |