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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 3 families. | |||||
1 | 1J8V | Ki = 243.2 uM | LAM | C24 H35 N O17 S | c1cc(ccc1[.... |
2 | 1IEX | - | SGC BGC | n/a | n/a |
3 | 6MI1 | Kd = 0.000000064 M | U1Y BGC | n/a | n/a |
4 | 1X38 | Ki = 1.7 nM | IDD | C14 H16 N2 O4 | c1ccc(cc1).... |
5 | 1X39 | Ki = 0.6 nM | IDE | C15 H19 N3 O4 | c1ccc(cc1).... |
6 | 1EX1 | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
7 | 6MD6 | Ki = 0.00255 M | U2A BGC | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1J8V | Ki = 243.2 uM | LAM | C24 H35 N O17 S | c1cc(ccc1[.... |
2 | 1IEX | - | SGC BGC | n/a | n/a |
3 | 6MI1 | Kd = 0.000000064 M | U1Y BGC | n/a | n/a |
4 | 1X38 | Ki = 1.7 nM | IDD | C14 H16 N2 O4 | c1ccc(cc1).... |
5 | 1X39 | Ki = 0.6 nM | IDE | C15 H19 N3 O4 | c1ccc(cc1).... |
6 | 1EX1 | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
7 | 6MD6 | Ki = 0.00255 M | U2A BGC | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SGC BGC | 1 | 1 |
2 | SGC SGC BGC | 0.911111 | 1 |
3 | SGC BGC SGC BGC SGC BGC SGC BGC | 0.672131 | 0.972222 |
4 | MA1 GLC | 0.615385 | 0.971429 |
5 | SSG SGC SSG GLC | 0.571429 | 0.971429 |
6 | YIO GAL | 0.568182 | 0.971429 |
7 | GTM SGC SGC BGC | 0.542373 | 0.921053 |
8 | MA3 SGC SSG SSG BGC | 0.542373 | 0.921053 |
9 | U2A BGC | 0.508772 | 0.921053 |
10 | SGC BGC SGC BGC SGC BGC SGC BGC SGC | 0.478873 | 0.972222 |
11 | Z4R MAN | 0.474576 | 0.921053 |
12 | MGL SGC SGC GLC | 0.464789 | 0.921053 |
13 | QWJ | 0.45 | 0.894737 |
14 | ALL | 0.444444 | 0.8 |
15 | BGC GAL | 0.444444 | 0.8 |
16 | GLC | 0.444444 | 0.8 |
17 | WOO | 0.444444 | 0.8 |
18 | GXL | 0.444444 | 0.8 |
19 | GAL | 0.444444 | 0.8 |
20 | BGC | 0.444444 | 0.8 |
21 | MAN | 0.444444 | 0.8 |
22 | GIV | 0.444444 | 0.8 |
23 | BMA | 0.444444 | 0.8 |
24 | GLA | 0.444444 | 0.8 |
25 | GAL GAL | 0.444444 | 0.8 |
26 | GLC GLC | 0.444444 | 0.8 |
27 | IPT | 0.411765 | 0.789474 |
28 | GTM BGC BGC | 0.408451 | 0.921053 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BGC BGC | 0.9811 |
2 | ABL | 0.9693 |
3 | GCS GCS | 0.9649 |
4 | SHG BGC | 0.9646 |
5 | BMA BGC | 0.9598 |
6 | GLC BGC | 0.9514 |
7 | BGC Z9D | 0.9437 |
8 | NOY BGC | 0.9387 |
9 | GLC GAL | 0.9325 |
10 | PA1 GCS | 0.9323 |
11 | IDC | 0.9299 |
12 | BMA GAL | 0.9257 |
13 | 9MR | 0.9245 |
14 | BMA BMA | 0.9231 |
15 | MGL GAL | 0.9219 |
16 | IFM BGC | 0.9124 |
17 | BGC OXZ | 0.9118 |
18 | IFM BMA | 0.9060 |
19 | ISX | 0.9034 |
20 | LAM | 0.9007 |
21 | BEM BEM | 0.8935 |
22 | MAN BMA | 0.8928 |
23 | FRU GAL | 0.8913 |
24 | MVL BMA | 0.8902 |
25 | XYP XYP | 0.8826 |
26 | BMA MVL | 0.8814 |
27 | GAL NGT | 0.8793 |
28 | C5Q | 0.8771 |
29 | ZT2 | 0.8707 |
30 | GLO BGC | 0.8691 |
31 | MYG | 0.8687 |
32 | SNI | 0.8662 |
33 | BGC GLA | 0.8638 |
34 | NAG GCD | 0.8617 |
35 | C3G | 0.8611 |
36 | BGC GLC | 0.8602 |
37 | NAB | 0.8582 |
38 | R75 | 0.8578 |
39 | B1T | 0.8574 |
40 | GS1 GS1 | 0.8566 |
41 | GWD | 0.8536 |
This union binding pocket(no: 1) in the query (biounit: 1x39.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4I3G | BGC | 22.093 |
2 | 6KJ0 | XYP | 36.3787 |