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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 43 families. | |||||
1 | 1HF6 | - | GLC BGC BGC | n/a | n/a |
2 | 1QI0 | - | BGC BGC | n/a | n/a |
3 | 3A3H | - | GLC BGC BGC | n/a | n/a |
4 | 1E5J | Ki = 100 uM | MGL SGC SGC GLC | n/a | n/a |
5 | 8A3H | Ki = 88 uM | IDC | C14 H22 N2 O9 | c1cn2c(n1).... |
6 | 1W3L | Ki = 0.52 uM | BGC BGC OXZ | n/a | n/a |
7 | 4A3H | - | DCB | C18 H23 F N2 O14 | c1cc(c(cc1.... |
8 | 1H5V | - | MA3 SGC SGC SSG GLC | n/a | n/a |
9 | 1H2J | - | DCB | C18 H23 F N2 O14 | c1cc(c(cc1.... |
10 | 1OCQ | Ki = 6.5 uM | IFM BGC | n/a | n/a |
11 | 1W3K | Ki = 50 uM | BGC OXZ | n/a | n/a |
12 | 2A3H | - | BGC BGC | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 32 families. | |||||
1 | 1HF6 | - | GLC BGC BGC | n/a | n/a |
2 | 1QI0 | - | BGC BGC | n/a | n/a |
3 | 3A3H | - | GLC BGC BGC | n/a | n/a |
4 | 1E5J | Ki = 100 uM | MGL SGC SGC GLC | n/a | n/a |
5 | 8A3H | Ki = 88 uM | IDC | C14 H22 N2 O9 | c1cn2c(n1).... |
6 | 1W3L | Ki = 0.52 uM | BGC BGC OXZ | n/a | n/a |
7 | 4A3H | - | DCB | C18 H23 F N2 O14 | c1cc(c(cc1.... |
8 | 1H5V | - | MA3 SGC SGC SSG GLC | n/a | n/a |
9 | 1H2J | - | DCB | C18 H23 F N2 O14 | c1cc(c(cc1.... |
10 | 1OCQ | Ki = 6.5 uM | IFM BGC | n/a | n/a |
11 | 1W3K | Ki = 50 uM | BGC OXZ | n/a | n/a |
12 | 2A3H | - | BGC BGC | n/a | n/a |
13 | 1G0C | - | BGC BGC | n/a | n/a |
14 | 1TVP | - | BGC BGC | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BGC OXZ | 1 | 1 |
2 | BGC OXZ BGC | 0.836364 | 0.979167 |
3 | RR7 GLC | 0.589286 | 0.708333 |
4 | 9MR | 0.533333 | 0.854167 |
5 | BQZ | 0.509434 | 0.638298 |
6 | GAL GLA | 0.482759 | 0.666667 |
7 | 5QP | 0.467742 | 0.666667 |
8 | RZM | 0.466667 | 0.764706 |
9 | BGC GLA GAL | 0.465517 | 0.666667 |
10 | MBG GLA | 0.465517 | 0.64 |
11 | G2I | 0.463768 | 0.836735 |
12 | G3I | 0.463768 | 0.836735 |
13 | IFM BGC | 0.460317 | 0.82 |
14 | NOJ GLC | 0.453125 | 0.769231 |
15 | MAN MNM | 0.453125 | 0.709091 |
16 | GLC DMJ | 0.453125 | 0.769231 |
17 | BGC BGC BGC | 0.444444 | 0.666667 |
18 | BGC BGC BGC BGC BGC | 0.444444 | 0.666667 |
19 | GLC BGC BGC BGC | 0.444444 | 0.666667 |
20 | BGC BGC BGC BGC BGC BGC | 0.444444 | 0.666667 |
21 | BGC BGC BGC BGC BGC BGC BGC | 0.444444 | 0.666667 |
22 | MBG GAL | 0.442623 | 0.64 |
23 | MGL GAL | 0.442623 | 0.64 |
24 | GDQ GLC | 0.439394 | 0.709091 |
25 | ISX | 0.4375 | 0.833333 |
26 | 7D1 MAN | 0.435484 | 0.673469 |
27 | MAN BMA BMA | 0.432836 | 0.673469 |
28 | NOY BGC | 0.430769 | 0.709091 |
29 | FUC GAL | 0.428571 | 0.632653 |
30 | MAN BMA BMA BMA BMA BMA BMA | 0.428571 | 0.666667 |
31 | GLC GLC GLC GLC BGC GLC GLC | 0.428571 | 0.666667 |
32 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.428571 | 0.666667 |
33 | MAN MAN | 0.42623 | 0.666667 |
34 | CJX | 0.424242 | 0.722222 |
35 | GCU BGC | 0.424242 | 0.62 |
36 | ABL | 0.424242 | 0.709091 |
37 | FRU BMA | 0.421875 | 0.647059 |
38 | MAN IPD MAN | 0.421875 | 0.618182 |
39 | MAN G63 | 0.41791 | 0.727273 |
40 | GLC EDO GLC | 0.415385 | 0.673469 |
41 | GLC BGC FUC GAL | 0.414286 | 0.653061 |
42 | MAN MAN BMA | 0.414286 | 0.673469 |
43 | BGC FUC GAL | 0.414286 | 0.653061 |
44 | A2G GAL | 0.411765 | 0.672727 |
45 | BDF GLC | 0.411765 | 0.66 |
46 | BMA MAN MAN | 0.405797 | 0.666667 |
47 | BGC XGP | 0.402985 | 0.618182 |
48 | GLC 7LQ | 0.402985 | 0.632653 |
49 | MMA GLA ABE | 0.4 | 0.634615 |
50 | GAL FUC GAL | 0.4 | 0.653061 |
51 | MAN GLA ABE | 0.4 | 0.66 |
52 | DGO MAN | 0.4 | 0.653061 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BGC BGC | 0.9642 |
2 | IFM BMA | 0.9608 |
3 | BMA IFM | 0.9608 |
4 | PA1 GCS | 0.9590 |
5 | GCS GCS | 0.9578 |
6 | SHG BGC | 0.9577 |
7 | GLC BGC | 0.9520 |
8 | BMA BGC | 0.9421 |
9 | GLC GAL | 0.9401 |
10 | GLC GLC | 0.9373 |
11 | BGC GAL | 0.9348 |
12 | SA0 | 0.9332 |
13 | BGC Z9D | 0.9245 |
14 | BMA BMA | 0.9204 |
15 | MAN BMA | 0.9186 |
16 | BMA GAL | 0.9149 |
17 | SGC BGC | 0.9118 |
18 | BEM BEM | 0.9078 |
19 | MHD GAL | 0.9054 |
20 | MGL SGC | 0.9037 |
21 | 636 | 0.9037 |
22 | 683 | 0.9033 |
23 | 64I | 0.8998 |
24 | FRU GAL | 0.8987 |
25 | 145 | 0.8986 |
26 | GMP | 0.8967 |
27 | 6GR | 0.8966 |
28 | JMS | 0.8965 |
29 | 6EN | 0.8962 |
30 | IXM | 0.8956 |
31 | FHI | 0.8947 |
32 | 43S | 0.8933 |
33 | ID8 | 0.8918 |
34 | TLF | 0.8910 |
35 | 6J3 | 0.8908 |
36 | DK4 | 0.8898 |
37 | 9CE | 0.8894 |
38 | XYP XYP | 0.8892 |
39 | GPK | 0.8882 |
40 | 1FL | 0.8880 |
41 | 4GU | 0.8874 |
42 | BNY | 0.8872 |
43 | 38B | 0.8868 |
44 | XIF XYP | 0.8867 |
45 | DKZ | 0.8855 |
46 | XIL | 0.8852 |
47 | XYP XIF | 0.8850 |
48 | U19 | 0.8850 |
49 | A4G | 0.8846 |
50 | Z15 | 0.8845 |
51 | 5E4 | 0.8845 |
52 | XDL XYP | 0.8844 |
53 | NAB | 0.8844 |
54 | EAJ | 0.8842 |
55 | 3WJ | 0.8840 |
56 | Z57 | 0.8838 |
57 | DKX | 0.8836 |
58 | GPQ | 0.8835 |
59 | MAV BEM | 0.8833 |
60 | CJB | 0.8833 |
61 | 17C | 0.8825 |
62 | SGC GLC | 0.8820 |
63 | 38E | 0.8820 |
64 | CJZ | 0.8816 |
65 | BRY | 0.8814 |
66 | BGC GLC | 0.8811 |
67 | IDC | 0.8811 |
68 | 2FA | 0.8809 |
69 | XYP AHR | 0.8803 |
70 | GPU | 0.8799 |
71 | OFL | 0.8796 |
72 | BEM LGU | 0.8775 |
73 | 43U | 0.8775 |
74 | TI7 | 0.8769 |
75 | XDN XYP | 0.8768 |
76 | XYP XDN | 0.8768 |
77 | 272 | 0.8766 |
78 | Z16 | 0.8764 |
79 | GL6 | 0.8761 |
80 | GLA GLA | 0.8757 |
81 | ADN | 0.8755 |
82 | WVV | 0.8746 |
83 | GAL FUC | 0.8741 |
84 | GAL NGT | 0.8740 |
85 | GLO BGC | 0.8736 |
86 | GAT | 0.8734 |
87 | AD3 | 0.8725 |
88 | GN6 | 0.8713 |
89 | XYS XYS | 0.8710 |
90 | XYS XYP | 0.8707 |
91 | IMB | 0.8706 |
92 | BXZ | 0.8703 |
93 | IMQ | 0.8702 |
94 | AUV | 0.8685 |
95 | P2L | 0.8676 |
96 | K3Q 7CV | 0.8675 |
97 | GLA BEZ | 0.8673 |
98 | NGT GAL | 0.8672 |
99 | 3GX | 0.8667 |
100 | SGV | 0.8664 |
101 | NAG GCD | 0.8656 |
102 | TO1 | 0.8644 |
103 | P2C | 0.8639 |
104 | AOD | 0.8633 |
105 | 5I5 | 0.8625 |
106 | LM7 | 0.8620 |
107 | SGW | 0.8615 |
108 | 7CI | 0.8606 |
109 | MQS | 0.8603 |
110 | HO4 | 0.8602 |
111 | TGW | 0.8590 |
112 | BBY | 0.8586 |
113 | GAA | 0.8582 |
114 | MVL BMA | 0.8556 |
115 | DBS | 0.8530 |
116 | LG7 | 0.8521 |