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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 10 families. | |||||
1 | 3OLE | Ki = 0.0147 uM | GLC GLC G6D GLC ACI G6D ACI | n/a | n/a |
2 | 5EMY | - | 5QP | C13 H24 O10 | C1[C@H]([C.... |
3 | 1XD0 | Ki = 0.075 uM | ARE | C31 H53 N O23 | C[C@@H]1[C.... |
4 | 1U2Y | Ki = 18 mM | GOX | C6 H12 N2 O5 | C([C@@H]1[.... |
5 | 3OLD | Ki = 1.25 uM | GLC GLC G6D GLC ACI GLC | n/a | n/a |
6 | 1XH0 | - | AAO | C37 H63 N O28 | C[C@@H]1[C.... |
7 | 1XD1 | Ki = 0.012 uM | 6SA | C37 H63 N O28 | C[C@@H]1[C.... |
8 | 3CPU | - | GLC GLC | n/a | n/a |
9 | 1U33 | Ki = 25 uM | LM2 | C19 H34 N2 O15 | CO[C@@H]1[.... |
10 | 1XH2 | - | ARE | C31 H53 N O23 | C[C@@H]1[C.... |
11 | 3OLG | Ki = 0.0143 uM | BGC GLC G6D GLC HSD G6D HSD | n/a | n/a |
12 | 3BAY | - | ARE | C31 H53 N O23 | C[C@@H]1[C.... |
13 | 1Z32 | - | AGL GLC HMC | n/a | n/a |
14 | 3DHP | - | GLC GLC AGL HMC | n/a | n/a |
15 | 3IJ7 | - | GLF B8D | n/a | n/a |
16 | 5TD4 | - | GLC GLC GLC GLC GLC GLC | n/a | n/a |
17 | 3OLI | Ki = 0.0416 uM | GLC GLC G6D GLC HSD G6D HSD | n/a | n/a |
18 | 1U30 | Ki = 1.8 mM | GOX | C6 H12 N2 O5 | C([C@@H]1[.... |
19 | 1XCX | - | BGC GLC AC1 | n/a | n/a |
20 | 4W93 | Ki = 8 nM | 3L9 | C53 H64 O33 | C[C@H]1[C@.... |
21 | 1CPU | - | GLC GLC AGL HMC GLC | n/a | n/a |
22 | 1XCW | - | GLC AC1 | n/a | n/a |
23 | 2QV4 | - | QV4 | C31 H53 N O23 | C[C@@H]1[C.... |
24 | 3IJ9 | - | B0D | C6 H10 F2 O5 | C([C@]1([C.... |
25 | 3IJ8 | - | B0D | C6 H10 F2 O5 | C([C@]1([C.... |
26 | 1NM9 | - | GLC AGL HMC | n/a | n/a |
27 | 4GQQ | - | 0XR | C11 H12 O4 | CCOC(=O)/C.... |
28 | 3BAJ | - | ARE | C31 H53 N O23 | C[C@@H]1[C.... |
29 | 4GQR | Ki = 110 uM | MYC | C15 H10 O8 | c1c(cc(c(c.... |
30 | 1OSE | - | BGC AC1 GLC AC1 | n/a | n/a |
31 | 3L2M | - | GLC GLC GLC GLC GLC GLC | n/a | n/a |
32 | 1HX0 | - | GLC AC1 GLC AC1 | n/a | n/a |
33 | 1WO2 | - | BGC GLC GLC | n/a | n/a |
34 | 1JFH | Ki = 9 mM | MA3 MA2 | n/a | n/a |
35 | 3L2L | - | GLC GLC GLC GLC | n/a | n/a |
36 | 1UA3 | - | GLC GLC GLC | n/a | n/a |
37 | 1VAH | - | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
38 | 1PPI | Ki = 9.7 uM | BGC GLC DAF GLC | n/a | n/a |
39 | 1PIG | ic50 = 0.7 nM | BGC GLC AGL GLC HMC AGL | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 3OLE | Ki = 0.0147 uM | GLC GLC G6D GLC ACI G6D ACI | n/a | n/a |
2 | 5EMY | - | 5QP | C13 H24 O10 | C1[C@H]([C.... |
3 | 1XD0 | Ki = 0.075 uM | ARE | C31 H53 N O23 | C[C@@H]1[C.... |
4 | 1U2Y | Ki = 18 mM | GOX | C6 H12 N2 O5 | C([C@@H]1[.... |
5 | 3OLD | Ki = 1.25 uM | GLC GLC G6D GLC ACI GLC | n/a | n/a |
6 | 1XH0 | - | AAO | C37 H63 N O28 | C[C@@H]1[C.... |
7 | 1XD1 | Ki = 0.012 uM | 6SA | C37 H63 N O28 | C[C@@H]1[C.... |
8 | 3CPU | - | GLC GLC | n/a | n/a |
9 | 1U33 | Ki = 25 uM | LM2 | C19 H34 N2 O15 | CO[C@@H]1[.... |
10 | 1XH2 | - | ARE | C31 H53 N O23 | C[C@@H]1[C.... |
11 | 3OLG | Ki = 0.0143 uM | BGC GLC G6D GLC HSD G6D HSD | n/a | n/a |
12 | 3BAY | - | ARE | C31 H53 N O23 | C[C@@H]1[C.... |
13 | 1Z32 | - | AGL GLC HMC | n/a | n/a |
14 | 3DHP | - | GLC GLC AGL HMC | n/a | n/a |
15 | 3IJ7 | - | GLF B8D | n/a | n/a |
16 | 5TD4 | - | GLC GLC GLC GLC GLC GLC | n/a | n/a |
17 | 3OLI | Ki = 0.0416 uM | GLC GLC G6D GLC HSD G6D HSD | n/a | n/a |
18 | 1U30 | Ki = 1.8 mM | GOX | C6 H12 N2 O5 | C([C@@H]1[.... |
19 | 1XCX | - | BGC GLC AC1 | n/a | n/a |
20 | 4W93 | Ki = 8 nM | 3L9 | C53 H64 O33 | C[C@H]1[C@.... |
21 | 1CPU | - | GLC GLC AGL HMC GLC | n/a | n/a |
22 | 1XCW | - | GLC AC1 | n/a | n/a |
23 | 2QV4 | - | QV4 | C31 H53 N O23 | C[C@@H]1[C.... |
24 | 3IJ9 | - | B0D | C6 H10 F2 O5 | C([C@]1([C.... |
25 | 3IJ8 | - | B0D | C6 H10 F2 O5 | C([C@]1([C.... |
26 | 1NM9 | - | GLC AGL HMC | n/a | n/a |
27 | 4GQQ | - | 0XR | C11 H12 O4 | CCOC(=O)/C.... |
28 | 3BAJ | - | ARE | C31 H53 N O23 | C[C@@H]1[C.... |
29 | 4GQR | Ki = 110 uM | MYC | C15 H10 O8 | c1c(cc(c(c.... |
30 | 1OSE | - | BGC AC1 GLC AC1 | n/a | n/a |
31 | 3L2M | - | GLC GLC GLC GLC GLC GLC | n/a | n/a |
32 | 1HX0 | - | GLC AC1 GLC AC1 | n/a | n/a |
33 | 1WO2 | - | BGC GLC GLC | n/a | n/a |
34 | 1JFH | Ki = 9 mM | MA3 MA2 | n/a | n/a |
35 | 3L2L | - | GLC GLC GLC GLC | n/a | n/a |
36 | 1UA3 | - | GLC GLC GLC | n/a | n/a |
37 | 1VAH | - | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
38 | 1PPI | Ki = 9.7 uM | BGC GLC DAF GLC | n/a | n/a |
39 | 1PIG | ic50 = 0.7 nM | BGC GLC AGL GLC HMC AGL | n/a | n/a |
40 | 1G94 | - | GLC GLC GLC DAF DAF | n/a | n/a |
41 | 1KXH | - | GLC GLC AC1 | n/a | n/a |
42 | 1G9H | - | BGC DAF | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 5QP | 1 | 1 |
2 | TRE | 0.520833 | 0.885714 |
3 | BQZ | 0.519231 | 0.909091 |
4 | BGC BGC | 0.517241 | 0.970588 |
5 | DOM | 0.517241 | 0.888889 |
6 | LAT GLA | 0.5 | 0.885714 |
7 | IFM BGC | 0.491803 | 0.711111 |
8 | 9MR | 0.491803 | 0.744186 |
9 | BMA IFM | 0.491803 | 0.711111 |
10 | IFM BMA | 0.491803 | 0.711111 |
11 | N9S | 0.491228 | 0.885714 |
12 | B2G | 0.491228 | 0.885714 |
13 | LAT | 0.491228 | 0.885714 |
14 | M3M | 0.491228 | 0.885714 |
15 | BMA GAL | 0.491228 | 0.885714 |
16 | GLC GAL | 0.491228 | 0.885714 |
17 | BMA BMA | 0.491228 | 0.885714 |
18 | MAN GLC | 0.491228 | 0.885714 |
19 | GAL BGC | 0.491228 | 0.885714 |
20 | GLC BGC | 0.491228 | 0.885714 |
21 | NGR | 0.491228 | 0.885714 |
22 | GLA GLA | 0.491228 | 0.885714 |
23 | BGC GAL | 0.491228 | 0.885714 |
24 | GLA GAL | 0.491228 | 0.885714 |
25 | CBK | 0.491228 | 0.885714 |
26 | LB2 | 0.491228 | 0.885714 |
27 | BGC BMA | 0.491228 | 0.885714 |
28 | MAL | 0.491228 | 0.885714 |
29 | CBI | 0.491228 | 0.885714 |
30 | LBT | 0.491228 | 0.885714 |
31 | MAB | 0.491228 | 0.885714 |
32 | GLC GLC | 0.491228 | 0.885714 |
33 | NOJ GLC | 0.483871 | 0.733333 |
34 | ABL | 0.47619 | 0.666667 |
35 | DR5 | 0.474576 | 0.837838 |
36 | MMA MAN | 0.474576 | 0.837838 |
37 | 2M4 | 0.473684 | 0.885714 |
38 | BMA MAN | 0.473684 | 0.885714 |
39 | GLA MBG | 0.473684 | 0.837838 |
40 | BGC GLC | 0.473684 | 0.885714 |
41 | MAL EDO | 0.467742 | 0.888889 |
42 | BGC OXZ | 0.467742 | 0.666667 |
43 | GLC DMJ | 0.460317 | 0.733333 |
44 | BGC BGC BGC | 0.459016 | 0.885714 |
45 | GLC BGC GLC | 0.459016 | 0.885714 |
46 | BGC BGC BGC BGC | 0.459016 | 0.885714 |
47 | MTT | 0.459016 | 0.885714 |
48 | CEX | 0.459016 | 0.885714 |
49 | BMA BMA BMA BMA BMA | 0.459016 | 0.885714 |
50 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.459016 | 0.885714 |
51 | GLC GLC GLC GLC GLC | 0.459016 | 0.885714 |
52 | CTT | 0.459016 | 0.885714 |
53 | BMA BMA BMA BMA BMA BMA | 0.459016 | 0.885714 |
54 | GLC GAL GAL | 0.459016 | 0.885714 |
55 | BGC GLC GLC | 0.459016 | 0.885714 |
56 | BMA BMA BMA | 0.459016 | 0.885714 |
57 | DXI | 0.459016 | 0.885714 |
58 | CTR | 0.459016 | 0.885714 |
59 | MAN BMA BMA BMA BMA | 0.459016 | 0.885714 |
60 | BGC GLC GLC GLC GLC | 0.459016 | 0.885714 |
61 | GAL GAL GAL | 0.459016 | 0.885714 |
62 | GLC BGC BGC BGC | 0.459016 | 0.885714 |
63 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.459016 | 0.885714 |
64 | GLA GAL GLC | 0.459016 | 0.885714 |
65 | MAN BMA BMA | 0.459016 | 0.885714 |
66 | B4G | 0.459016 | 0.885714 |
67 | MAN MAN BMA BMA BMA BMA | 0.459016 | 0.885714 |
68 | CE8 | 0.459016 | 0.885714 |
69 | GLC BGC BGC BGC BGC | 0.459016 | 0.885714 |
70 | BGC GLC GLC GLC | 0.459016 | 0.885714 |
71 | BGC BGC GLC | 0.459016 | 0.885714 |
72 | BMA MAN BMA | 0.459016 | 0.885714 |
73 | CEY | 0.459016 | 0.885714 |
74 | CE6 | 0.459016 | 0.885714 |
75 | GLC BGC BGC BGC BGC BGC | 0.459016 | 0.885714 |
76 | MLR | 0.459016 | 0.885714 |
77 | CE5 | 0.459016 | 0.885714 |
78 | MAN BMA BMA BMA BMA BMA | 0.459016 | 0.885714 |
79 | BGC BGC BGC GLC | 0.459016 | 0.885714 |
80 | CT3 | 0.459016 | 0.885714 |
81 | BGC GLC GLC GLC GLC GLC GLC | 0.459016 | 0.885714 |
82 | MT7 | 0.459016 | 0.885714 |
83 | GLC BGC BGC | 0.459016 | 0.885714 |
84 | GLA GAL BGC | 0.459016 | 0.885714 |
85 | GLC GLC GLC | 0.451613 | 0.885714 |
86 | GLC BGC BGC BGC BGC BGC BGC | 0.451613 | 0.885714 |
87 | GLA EGA | 0.451613 | 0.837838 |
88 | BGC BGC BGC BGC BGC BGC | 0.451613 | 0.885714 |
89 | BGC BGC BGC GLC BGC BGC | 0.451613 | 0.885714 |
90 | GLC GLC GLC GLC | 0.451613 | 0.885714 |
91 | GLC GLC BGC | 0.451613 | 0.885714 |
92 | MAN MMA | 0.45 | 0.837838 |
93 | M13 | 0.45 | 0.837838 |
94 | MDM | 0.45 | 0.837838 |
95 | RZM | 0.45 | 0.688889 |
96 | GAL MBG | 0.45 | 0.837838 |
97 | G2I | 0.449275 | 0.727273 |
98 | G3I | 0.449275 | 0.727273 |
99 | GDQ GLC | 0.446154 | 0.666667 |
100 | MAN 7D1 | 0.442623 | 0.888889 |
101 | MAN MNM | 0.4375 | 0.632653 |
102 | NOY BGC | 0.4375 | 0.632653 |
103 | FMO | 0.4375 | 0.775 |
104 | GAL FUC | 0.435484 | 0.833333 |
105 | U63 | 0.435484 | 0.794872 |
106 | MVP | 0.430769 | 0.695652 |
107 | CGC | 0.430769 | 0.833333 |
108 | BMA FRU | 0.428571 | 0.794872 |
109 | OXZ BGC BGC | 0.428571 | 0.653061 |
110 | FRU GAL | 0.428571 | 0.794872 |
111 | W9T | 0.428571 | 0.794872 |
112 | GLA MAN ABE | 0.424658 | 0.864865 |
113 | GLA MMA ABE | 0.424658 | 0.820513 |
114 | GLA GAL GAL | 0.424242 | 0.885714 |
115 | MAN G63 | 0.424242 | 0.6875 |
116 | MAN MAN BMA | 0.421875 | 0.885714 |
117 | ISX | 0.421875 | 0.72093 |
118 | BMA BMA MAN | 0.421875 | 0.885714 |
119 | G2F BGC BGC BGC BGC BGC | 0.42029 | 0.820513 |
120 | A2G GAL | 0.42029 | 0.6875 |
121 | GLA GAL BGC 5VQ | 0.41791 | 0.794872 |
122 | BMA MAN MAN MAN | 0.41791 | 0.885714 |
123 | GLC BDF | 0.41791 | 0.916667 |
124 | GLC GLC XYS | 0.416667 | 0.861111 |
125 | GLC IFM | 0.415385 | 0.688889 |
126 | BGC BGC BGC BGC BGC BGC BGC | 0.415385 | 0.885714 |
127 | MAN IFM | 0.415385 | 0.688889 |
128 | BGC BGC BGC BGC BGC | 0.415385 | 0.885714 |
129 | MAN BMA MAN | 0.411765 | 0.885714 |
130 | LG9 GLC | 0.411765 | 0.603774 |
131 | MAN MAN MAN | 0.411765 | 0.885714 |
132 | KHO | 0.409836 | 0.837838 |
133 | GLC GLC XYP | 0.408451 | 0.885714 |
134 | TUR | 0.40625 | 0.794872 |
135 | GLC FRU | 0.40625 | 0.794872 |
136 | BTU | 0.40625 | 0.794872 |
137 | MAN DGO | 0.40625 | 0.861111 |
138 | T6P | 0.403226 | 0.688889 |
139 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.4 | 0.885714 |
140 | FUC BGC GAL | 0.4 | 0.861111 |
141 | FUC GLC BGC GAL | 0.4 | 0.861111 |
142 | NAG BMA | 0.4 | 0.6875 |
143 | GLA GAL GLC NBU | 0.4 | 0.756098 |
This union binding pocket(no: 1) in the query (biounit: 4w93.bio1) has 33 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |