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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 | BMA | 1 | 1 |
2 | MAN | 1 | 1 |
3 | BGC GAL | 1 | 1 |
4 | WOO | 1 | 1 |
5 | GLC GLC | 1 | 1 |
6 | GXL | 1 | 1 |
7 | GLA | 1 | 1 |
8 | GAL GAL | 1 | 1 |
9 | ALL | 1 | 1 |
10 | GAL | 1 | 1 |
11 | BGC | 1 | 1 |
12 | GLC | 1 | 1 |
13 | GIV | 1 | 1 |
14 | FUB | 0.653846 | 0.866667 |
15 | BDR | 0.653846 | 0.866667 |
16 | 32O | 0.653846 | 0.866667 |
17 | AHR | 0.653846 | 0.866667 |
18 | Z6J | 0.653846 | 0.866667 |
19 | RIB | 0.653846 | 0.866667 |
20 | BGC GLC GLC GLC GLC GLC | 0.488889 | 0.848485 |
21 | BGC GLC GLC GLC GLC | 0.488889 | 0.848485 |
22 | EMZ | 0.472222 | 0.794118 |
23 | M6P | 0.461538 | 0.675 |
24 | BGP | 0.461538 | 0.675 |
25 | BG6 | 0.461538 | 0.675 |
26 | G6P | 0.461538 | 0.675 |
27 | M6D | 0.461538 | 0.675 |
28 | A6P | 0.461538 | 0.675 |
29 | 2H5 | 0.457143 | 0.875 |
30 | X6X | 0.457143 | 0.777778 |
31 | GCS | 0.457143 | 0.777778 |
32 | SHG | 0.457143 | 0.875 |
33 | 1GN | 0.457143 | 0.777778 |
34 | 95Z | 0.457143 | 0.777778 |
35 | G2F | 0.457143 | 0.875 |
36 | GAF | 0.457143 | 0.875 |
37 | G3F | 0.457143 | 0.875 |
38 | 2FG | 0.457143 | 0.875 |
39 | PA1 | 0.457143 | 0.777778 |
40 | GAL GLA | 0.454545 | 0.848485 |
41 | SGC BGC | 0.444444 | 0.8 |
42 | 3MG | 0.444444 | 0.875 |
43 | ZB1 | 0.444444 | 0.875 |
44 | YIO | 0.441176 | 0.870968 |
45 | 2GS | 0.432432 | 0.875 |
46 | AHR AHR | 0.428571 | 0.764706 |
47 | GLF | 0.428571 | 0.84375 |
48 | FUC GAL | 0.416667 | 0.848485 |
49 | GLC GLC GLC GLC BGC GLC GLC | 0.416667 | 0.848485 |
50 | MAN BMA BMA BMA BMA BMA BMA | 0.416667 | 0.848485 |
51 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.416667 | 0.848485 |
52 | BGC BGC BGC | 0.408163 | 0.848485 |
53 | BGC BGC BGC BGC BGC | 0.408163 | 0.848485 |
54 | SGC SGC BGC | 0.408163 | 0.8 |
55 | GLC BGC BGC BGC | 0.408163 | 0.848485 |
56 | BGC BGC BGC BGC BGC BGC | 0.408163 | 0.848485 |
57 | BGC BGC BGC BGC BGC BGC BGC | 0.408163 | 0.848485 |
58 | YIO GAL | 0.405405 | 0.771429 |
59 | NGA | 0.404762 | 0.7 |
60 | HSQ | 0.404762 | 0.7 |
61 | BM3 | 0.404762 | 0.7 |
62 | NDG | 0.404762 | 0.7 |
63 | A2G | 0.404762 | 0.7 |
64 | NAG | 0.404762 | 0.7 |
65 | AHR AHR AHR AHR AHR | 0.4 | 0.764706 |
66 | AHR AHR AHR AHR | 0.4 | 0.764706 |
67 | AHR AHR AHR AHR AHR AHR | 0.4 | 0.764706 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MBG GAL | 0.9401 |
2 | MBG GLA | 0.9392 |
3 | GAA | 0.9217 |
4 | F9W | 0.9134 |
5 | GLC GAL | 0.9109 |
6 | BGC BGC | 0.8983 |
7 | FRU GAL | 0.8948 |
8 | GLA BEZ | 0.8946 |
9 | NDG GAL | 0.8924 |
10 | 7D0 | 0.8920 |
11 | A2G GAL | 0.8913 |
12 | RR7 GLC | 0.8878 |
13 | GDQ GLC | 0.8867 |
14 | GLA GLA | 0.8856 |
15 | NAG GAL | 0.8852 |
16 | NGA GAL | 0.8844 |
17 | BGC GLC | 0.8832 |
18 | MGC GAL | 0.8824 |
19 | GAL NGT | 0.8821 |
20 | GAL NGA | 0.8811 |
21 | 145 | 0.8803 |
22 | NGT GAL | 0.8799 |
23 | GLC IFM | 0.8785 |
24 | NOY BGC | 0.8769 |
25 | GLC 7LQ | 0.8767 |
26 | GLC BGC | 0.8718 |
27 | IFM BMA | 0.8663 |
28 | LAM | 0.8663 |
29 | SGC GLC | 0.8659 |
30 | ABL | 0.8631 |
31 | GMP | 0.8615 |
32 | PA1 GCS | 0.8608 |
33 | 8P3 | 0.8608 |
34 | MAN IFM | 0.8602 |
35 | IXM | 0.8587 |
36 | 47N | 0.8578 |
37 | IFM BGC | 0.8575 |
38 | ZT2 | 0.8567 |
39 | NOK GAL | 0.8559 |
40 | XYP GCU | 0.8559 |
41 | 113 | 0.8558 |
42 | GAT | 0.8556 |
43 | 7D1 MAN | 0.8541 |
44 | TWJ SDY | 0.8538 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLA GAL | 1.0000 |
2 | GAL BGC | 0.9424 |
3 | BGC GAL | 0.9403 |
4 | NOJ BGC | 0.9201 |
5 | GLC BGC | 0.9096 |
6 | 147 | 0.8980 |
7 | BGC GLA | 0.8976 |
8 | ON1 | 0.8955 |
9 | MHD GAL | 0.8952 |
10 | DMB | 0.8909 |
11 | ZZ1 GAL | 0.8886 |
12 | GLC GLA | 0.8880 |
13 | P1Y | 0.8847 |
14 | IEE | 0.8806 |
15 | TCW | 0.8769 |
16 | PNJ | 0.8756 |
17 | MGI | 0.8745 |
18 | LI4 | 0.8732 |
19 | CMG | 0.8728 |
20 | NW1 | 0.8725 |
21 | TOP | 0.8694 |
22 | CHJ | 0.8684 |
23 | D5F | 0.8668 |
24 | ZZ1 GLA | 0.8658 |
25 | 8MF | 0.8639 |
26 | M77 | 0.8633 |
27 | KUP | 0.8629 |
28 | 7WD | 0.8623 |
29 | 94M | 0.8614 |
30 | FL9 | 0.8602 |
31 | YX0 | 0.8598 |
32 | QRP | 0.8556 |
33 | F9W | 0.8552 |
34 | DE7 | 0.8541 |