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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 426 families. | |||||
1 | 3VD8 | - | GLC GLC GLC GLC | n/a | n/a |
2 | 6ANV | - | GLC GLC GLC GLC | n/a | n/a |
3 | 3JYR | Kd = 2.9 uM | GLC GLC AC1 | n/a | n/a |
4 | 4IFP | - | GLC GLC | n/a | n/a |
5 | 3SET | - | GLC GLC | n/a | n/a |
6 | 3SEY | - | GLC GLC | n/a | n/a |
7 | 5B3Y | - | GLC GLC | n/a | n/a |
8 | 1JW5 | - | GLC GLC | n/a | n/a |
9 | 3Q29 | - | GLC GLC | n/a | n/a |
10 | 1FQC | - | GLO GLC GLC | n/a | n/a |
11 | 5ZCA | - | GLC GLC | n/a | n/a |
12 | 1ANF | Ki = 3.5 uM | GLC GLC | n/a | n/a |
13 | 3MBP | Ki = 0.16 uM | GLC GLC GLC | n/a | n/a |
14 | 1DMB | Kd = 1.8 uM | GLC GLC GLC GLC GLC GLC GLC | n/a | n/a |
15 | 1FQB | - | SOR GLC GLC | n/a | n/a |
16 | 3SEU | - | GLC GLC | n/a | n/a |
17 | 6EQZ | - | GLC GLC | n/a | n/a |
18 | 5B3X | - | GLC GLC | n/a | n/a |
19 | 3G7W | - | GLC GLC GLC | n/a | n/a |
20 | 3Q26 | - | GLC GLC | n/a | n/a |
21 | 4MBP | Ki = 2.3 uM | GLC GLC GLC GLC | n/a | n/a |
22 | 1FQD | - | GLO GLC GLC GLC | n/a | n/a |
23 | 5MM3 | - | GLC GLC | n/a | n/a |
24 | 3Q25 | - | GLC GLC | n/a | n/a |
25 | 4JBZ | - | GLC GLC | n/a | n/a |
26 | 3SER | - | GLC GLC | n/a | n/a |
27 | 1LAX | Kd = 2 uM | GLC GLC | n/a | n/a |
28 | 6N84 | - | GLC GLC | n/a | n/a |
29 | 3SES | - | GLC GLC | n/a | n/a |
30 | 1MDP | - | GLC GLC | n/a | n/a |
31 | 1MDQ | - | GLC GLC | n/a | n/a |
32 | 3SEX | - | GLC GLC | n/a | n/a |
33 | 1JVX | - | GLC GLC | n/a | n/a |
34 | 5B3Z | - | GLC GLC | n/a | n/a |
35 | 1NL5 | Kd = 6 nM | GLC GLC | n/a | n/a |
36 | 3G7V | - | GLC GLC | n/a | n/a |
37 | 3RUM | - | GLC GLC | n/a | n/a |
38 | 1JVY | - | GLC GLC | n/a | n/a |
39 | 3Q28 | - | GLC GLC | n/a | n/a |
40 | 3SEW | - | GLC GLC | n/a | n/a |
41 | 3LBS | - | GLC GLC | n/a | n/a |
42 | 1EZ9 | Kd = 8 uM | GLO GLC GLC GLC | n/a | n/a |
43 | 3Q27 | - | GLC GLC | n/a | n/a |
44 | 5BMY | - | GLC GLC | n/a | n/a |
45 | 1FQA | - | SOR GLC GLC GLC | n/a | n/a |
46 | 1MPD | - | GLC GLC | n/a | n/a |
47 | 4RG5 | - | GLC GLC | n/a | n/a |
48 | 3HPI | Kd = 6.6 uM | GLC FRU | n/a | n/a |
49 | 5B3W | - | GLC GLC | n/a | n/a |
50 | 2VGQ | - | GLC GLC GLC GLC | n/a | n/a |
51 | 5IHJ | - | GLC GLC GLC | n/a | n/a |
52 | 5CFV | - | GLC GLC | n/a | n/a |
53 | 5II5 | - | GLC GLC | n/a | n/a |
54 | 5II4 | - | GLC GLC | n/a | n/a |
55 | 5IQZ | - | GLC GLC | n/a | n/a |
56 | 4WMT | - | 865 | C37 H36 N6 O4 | Cc1ccnc(c1.... |
57 | 4WGI | - | 3M6 | C30 H30 F4 N4 O7 S | C[C@@H]1CN.... |
58 | 6YBK | Ki = 5 nM | OK2 | C40 H38 Cl F N6 O5 S | Cc1c(ccc(c.... |
59 | 6QYO | - | GLC GLC | n/a | n/a |
60 | 6QZ7 | - | JLE | C25 H22 N4 O2 S | CCc1c(c2c(.... |
61 | 6QXJ | - | GLC GLC | n/a | n/a |
62 | 4WMX | Kd = 14.1 uM | 3R7 | C15 H13 N O4 S | C=Cc1ccc(c.... |
63 | 4WMV | Kd = 93 uM | 3R4 | C9 H4 Cl F O2 S | c1cc2c(cc1.... |
64 | 6YBL | Ki = 0.029 nM | OK5 | C47 H44 Cl F N6 O6 S | Cc1c(ccc(c.... |
65 | 4WMW | - | 3R6 | C8 H8 O3 S | CSc1ccc(c(.... |
66 | 4WMS | - | GLC GLC | n/a | n/a |
67 | 6QYL | - | JLE | C25 H22 N4 O2 S | CCc1c(c2c(.... |
68 | 6QYN | - | GLC GLC | n/a | n/a |
69 | 5LOF | Kd = 0.19 nM | 70R | C39 H37 Cl F4 N6 O6 S | Cc1c(ccc(c.... |
70 | 6YBJ | Ki = 0.86 nM | OJW | C38 H38 Cl F N6 O6 S | Cc1c(ccc(c.... |
71 | 4WMU | Kd = 0.18 uM | 19H | C20 H19 Cl2 N O3 | Cc1cc(cc(c.... |
72 | 6QYK | - | GLC GLC | n/a | n/a |
73 | 6QGD | - | J1N | C17 H17 N3 O3 S | CCc1c(c2c(.... |
74 | 5OSQ | - | GLC GLC | n/a | n/a |
75 | 3D4G | - | GLC GLC | n/a | n/a |
76 | 4WTH | - | GLC GLC | n/a | n/a |
77 | 4YS9 | - | GLC GLC | n/a | n/a |
78 | 4MY2 | - | GLC GLC | n/a | n/a |
79 | 4KYC | - | GLC GLC | n/a | n/a |
80 | 1HSJ | - | GLC GLC | n/a | n/a |
81 | 5HZ7 | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
82 | 3H4Z | - | GLC GLC | n/a | n/a |
83 | 5WPZ | - | GLC GLC | n/a | n/a |
84 | 5WQ6 | - | GLC GLC | n/a | n/a |
85 | 5H7Q | - | GLC GLC | n/a | n/a |
86 | 3OAI | - | GLC GLC | n/a | n/a |
87 | 5TTD | - | GLC GLC GLC | n/a | n/a |
88 | 4KYD | - | GLC GLC | n/a | n/a |
89 | 5JST | - | GLC GLC | n/a | n/a |
90 | 2XZ3 | - | GLC GLC | n/a | n/a |
91 | 3N94 | - | GLC GLC | n/a | n/a |
92 | 4XZS | - | GLC GLC | n/a | n/a |
93 | 5H7N | - | GLC GLC GLC GLC | n/a | n/a |
94 | 4PE2 | - | GLC GLC | n/a | n/a |
95 | 4TSM | - | GLC GLC GLC GLC | n/a | n/a |
96 | 4IKM | - | GLC GLC | n/a | n/a |
97 | 1Y4C | - | GLC GLC | n/a | n/a |
98 | 6WBH | - | GLC GLC | n/a | n/a |
99 | 6WBJ | - | GLC GLC | n/a | n/a |
100 | 5C7R | - | GLC GLC GLC | n/a | n/a |
101 | 5DFM | - | GLC GLC | n/a | n/a |
102 | 4IRL | - | GLC GLC GLC GLC | n/a | n/a |
103 | 1MG1 | - | GLC GLC | n/a | n/a |
104 | 5AZ7 | - | GLC GLC | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 3VD8 | - | GLC GLC GLC GLC | n/a | n/a |
2 | 6ANV | - | GLC GLC GLC GLC | n/a | n/a |
3 | 3JYR | Kd = 2.9 uM | GLC GLC AC1 | n/a | n/a |
4 | 4IFP | - | GLC GLC | n/a | n/a |
5 | 5I04 | - | GLC GLC | n/a | n/a |
6 | 3SET | - | GLC GLC | n/a | n/a |
7 | 3SEY | - | GLC GLC | n/a | n/a |
8 | 5B3Y | - | GLC GLC | n/a | n/a |
9 | 1JW5 | - | GLC GLC | n/a | n/a |
10 | 3Q29 | - | GLC GLC | n/a | n/a |
11 | 1FQC | - | GLO GLC GLC | n/a | n/a |
12 | 5ZCA | - | GLC GLC | n/a | n/a |
13 | 1ANF | Ki = 3.5 uM | GLC GLC | n/a | n/a |
14 | 3MBP | Ki = 0.16 uM | GLC GLC GLC | n/a | n/a |
15 | 1DMB | Kd = 1.8 uM | GLC GLC GLC GLC GLC GLC GLC | n/a | n/a |
16 | 1FQB | - | SOR GLC GLC | n/a | n/a |
17 | 3SEU | - | GLC GLC | n/a | n/a |
18 | 6EQZ | - | GLC GLC | n/a | n/a |
19 | 5B3X | - | GLC GLC | n/a | n/a |
20 | 3G7W | - | GLC GLC GLC | n/a | n/a |
21 | 3Q26 | - | GLC GLC | n/a | n/a |
22 | 4MBP | Ki = 2.3 uM | GLC GLC GLC GLC | n/a | n/a |
23 | 1FQD | - | GLO GLC GLC GLC | n/a | n/a |
24 | 5MM3 | - | GLC GLC | n/a | n/a |
25 | 3Q25 | - | GLC GLC | n/a | n/a |
26 | 4JBZ | - | GLC GLC | n/a | n/a |
27 | 3SER | - | GLC GLC | n/a | n/a |
28 | 1LAX | Kd = 2 uM | GLC GLC | n/a | n/a |
29 | 6N84 | - | GLC GLC | n/a | n/a |
30 | 3SES | - | GLC GLC | n/a | n/a |
31 | 1MDP | - | GLC GLC | n/a | n/a |
32 | 1MDQ | - | GLC GLC | n/a | n/a |
33 | 3SEX | - | GLC GLC | n/a | n/a |
34 | 1JVX | - | GLC GLC | n/a | n/a |
35 | 5B3Z | - | GLC GLC | n/a | n/a |
36 | 1NL5 | Kd = 6 nM | GLC GLC | n/a | n/a |
37 | 3G7V | - | GLC GLC | n/a | n/a |
38 | 3RUM | - | GLC GLC | n/a | n/a |
39 | 1JVY | - | GLC GLC | n/a | n/a |
40 | 3Q28 | - | GLC GLC | n/a | n/a |
41 | 3SEW | - | GLC GLC | n/a | n/a |
42 | 3LBS | - | GLC GLC | n/a | n/a |
43 | 1EZ9 | Kd = 8 uM | GLO GLC GLC GLC | n/a | n/a |
44 | 3Q27 | - | GLC GLC | n/a | n/a |
45 | 5BMY | - | GLC GLC | n/a | n/a |
46 | 1FQA | - | SOR GLC GLC GLC | n/a | n/a |
47 | 1MPD | - | GLC GLC | n/a | n/a |
48 | 4RG5 | - | GLC GLC | n/a | n/a |
49 | 3HPI | Kd = 6.6 uM | GLC FRU | n/a | n/a |
50 | 5B3W | - | GLC GLC | n/a | n/a |
51 | 2VGQ | - | GLC GLC GLC GLC | n/a | n/a |
52 | 5IHJ | - | GLC GLC GLC | n/a | n/a |
53 | 5CFV | - | GLC GLC | n/a | n/a |
54 | 5II5 | - | GLC GLC | n/a | n/a |
55 | 5II4 | - | GLC GLC | n/a | n/a |
56 | 5IQZ | - | GLC GLC | n/a | n/a |
57 | 4WMT | - | 865 | C37 H36 N6 O4 | Cc1ccnc(c1.... |
58 | 4WGI | - | 3M6 | C30 H30 F4 N4 O7 S | C[C@@H]1CN.... |
59 | 6YBK | Ki = 5 nM | OK2 | C40 H38 Cl F N6 O5 S | Cc1c(ccc(c.... |
60 | 6QYO | - | GLC GLC | n/a | n/a |
61 | 6QZ7 | - | JLE | C25 H22 N4 O2 S | CCc1c(c2c(.... |
62 | 6QXJ | - | GLC GLC | n/a | n/a |
63 | 4WMX | Kd = 14.1 uM | 3R7 | C15 H13 N O4 S | C=Cc1ccc(c.... |
64 | 4WMV | Kd = 93 uM | 3R4 | C9 H4 Cl F O2 S | c1cc2c(cc1.... |
65 | 6YBL | Ki = 0.029 nM | OK5 | C47 H44 Cl F N6 O6 S | Cc1c(ccc(c.... |
66 | 4WMW | - | 3R6 | C8 H8 O3 S | CSc1ccc(c(.... |
67 | 4WMS | - | GLC GLC | n/a | n/a |
68 | 6QYL | - | JLE | C25 H22 N4 O2 S | CCc1c(c2c(.... |
69 | 6QYN | - | GLC GLC | n/a | n/a |
70 | 5LOF | Kd = 0.19 nM | 70R | C39 H37 Cl F4 N6 O6 S | Cc1c(ccc(c.... |
71 | 6YBJ | Ki = 0.86 nM | OJW | C38 H38 Cl F N6 O6 S | Cc1c(ccc(c.... |
72 | 4WMU | Kd = 0.18 uM | 19H | C20 H19 Cl2 N O3 | Cc1cc(cc(c.... |
73 | 6QYK | - | GLC GLC | n/a | n/a |
74 | 6QGD | - | J1N | C17 H17 N3 O3 S | CCc1c(c2c(.... |
75 | 5OSQ | - | GLC GLC | n/a | n/a |
76 | 3D4G | - | GLC GLC | n/a | n/a |
77 | 4WVH | - | GLC GLC | n/a | n/a |
78 | 4WVG | - | GLC GLC | n/a | n/a |
79 | 4WTH | - | GLC GLC | n/a | n/a |
80 | 4YS9 | - | GLC GLC | n/a | n/a |
81 | 4MY2 | - | GLC GLC | n/a | n/a |
82 | 4KYC | - | GLC GLC | n/a | n/a |
83 | 1HSJ | - | GLC GLC | n/a | n/a |
84 | 5HZ7 | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
85 | 3H4Z | - | GLC GLC | n/a | n/a |
86 | 5WPZ | - | GLC GLC | n/a | n/a |
87 | 5WQ6 | - | GLC GLC | n/a | n/a |
88 | 5H7Q | - | GLC GLC | n/a | n/a |
89 | 3DM0 | - | GLC GLC | n/a | n/a |
90 | 3OAI | - | GLC GLC | n/a | n/a |
91 | 5TTD | - | GLC GLC GLC | n/a | n/a |
92 | 4KYD | - | GLC GLC | n/a | n/a |
93 | 5JST | - | GLC GLC | n/a | n/a |
94 | 2XZ3 | - | GLC GLC | n/a | n/a |
95 | 3N94 | - | GLC GLC | n/a | n/a |
96 | 4QVH | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
97 | 4XZS | - | GLC GLC | n/a | n/a |
98 | 5H7N | - | GLC GLC GLC GLC | n/a | n/a |
99 | 4PE2 | - | GLC GLC | n/a | n/a |
100 | 3O3U | - | GLC GLC GLC | n/a | n/a |
101 | 4TSM | - | GLC GLC GLC GLC | n/a | n/a |
102 | 4IKM | - | GLC GLC | n/a | n/a |
103 | 1Y4C | - | GLC GLC | n/a | n/a |
104 | 6WBH | - | GLC GLC | n/a | n/a |
105 | 6WBJ | - | GLC GLC | n/a | n/a |
106 | 5T05 | - | A3P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
107 | 5T0A | - | A3P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
108 | 5T03 | - | A3P | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
109 | 5C7R | - | GLC GLC GLC | n/a | n/a |
110 | 5DFM | - | GLC GLC | n/a | n/a |
111 | 4IRL | - | GLC GLC GLC GLC | n/a | n/a |
112 | 1MG1 | - | GLC GLC | n/a | n/a |
113 | 5AZ7 | - | GLC GLC | n/a | n/a |
114 | 6ZIS | - | 3N6 | C38 H47 Br2 N9 O5 | c1ccc2c(c1.... |
115 | 6ZHO | - | QLQ | C40 H49 N11 O5 | Cc1cc(cc2c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GLC GLC GLC | 1 | 1 |
2 | BGC BGC GLC BGC XYS BGC XYS XYS | 0.690141 | 0.972222 |
3 | MAN BMA BMA | 0.65625 | 1 |
4 | BGC GLC GLC | 0.651515 | 0.942857 |
5 | BGC BGC BGC XYS XYS GAL | 0.6375 | 0.972222 |
6 | GLC GLC GLC GLC GLC | 0.614286 | 0.942857 |
7 | BGC GLC GLC GLC | 0.614286 | 0.942857 |
8 | MAN MAN BMA | 0.602941 | 1 |
9 | BGC BGC BGC BGC | 0.597222 | 0.942857 |
10 | BMA MAN MAN | 0.573529 | 0.942857 |
11 | BGC BGC XYS XYS GAL | 0.573171 | 0.944444 |
12 | BGC BGC BGC XYS XYS GAL GAL | 0.573171 | 0.944444 |
13 | BGC GLC GLC GLC GLC GLC | 0.571429 | 0.942857 |
14 | BGC GLC GLC GLC GLC | 0.571429 | 0.942857 |
15 | BGC BGC XYS GAL | 0.552632 | 0.944444 |
16 | GLC GLC XYS XYS | 0.547945 | 0.916667 |
17 | BGC BGC XYS BGC XYS XYS GAL | 0.546512 | 0.944444 |
18 | BGC BGC BGC XYS | 0.538462 | 0.944444 |
19 | BGC BGC BGC XYS BGC XYS XYS | 0.5375 | 0.944444 |
20 | BGC BGC BGC XYS BGC XYS XYS GAL GAL | 0.534091 | 0.944444 |
21 | BGC BGC BGC XYS BGC XYS XYS GAL | 0.534091 | 0.944444 |
22 | MMA MAN | 0.53125 | 0.891892 |
23 | BMA BMA BMA BMA GLA | 0.52 | 0.942857 |
24 | GLC AGL | 0.514706 | 0.755556 |
25 | MMA MAN MAN | 0.513889 | 0.891892 |
26 | BGC BGC BGC XYS BGC XYS | 0.506173 | 0.944444 |
27 | BGC BGC BGC BGC BGC XYS | 0.493976 | 0.944444 |
28 | BGC BGC BGC XYS BGC XYS BGC XYS BGC | 0.493976 | 0.944444 |
29 | BGC BGC BGC BGC XYS BGC XYS BGC BGC | 0.493976 | 0.944444 |
30 | BGC BGC BGC XYS BGC XYS GAL | 0.488636 | 0.944444 |
31 | AHR AHR AHR AHR AHR | 0.484375 | 0.810811 |
32 | AHR AHR AHR AHR | 0.484375 | 0.810811 |
33 | AHR AHR AHR AHR AHR AHR | 0.484375 | 0.810811 |
34 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.480519 | 0.942857 |
35 | MAN MAN MAN MAN MAN MAN MAN | 0.47619 | 0.942857 |
36 | H1M MAN MAN | 0.474359 | 0.871795 |
37 | NBG BGC BGC XYS BGC XYS XYS | 0.47191 | 0.708333 |
38 | BMA MAN MAN MAN | 0.4625 | 0.868421 |
39 | MAN MAN MAN | 0.4625 | 0.916667 |
40 | 1GN ACY GAL 1GN BGC ACY GAL BGC | 0.461538 | 0.66 |
41 | AHR AHR | 0.460317 | 0.810811 |
42 | G2F BGC BGC BGC BGC BGC | 0.453333 | 0.871795 |
43 | NAG BMA | 0.453333 | 0.693878 |
44 | NAG GAL BGC GAL | 0.440476 | 0.702128 |
45 | BMA MAN MAN MAN MAN | 0.440476 | 0.891892 |
46 | BMA NGT MAN MAN | 0.43956 | 0.634615 |
47 | BMA BMA BMA BMA GLA BMA GLA | 0.436782 | 0.868421 |
48 | GLC EDO GLC | 0.43662 | 0.944444 |
49 | FRU GLC GLA | 0.435897 | 0.846154 |
50 | NAG NAG BMA MAN MAN MAN MAN | 0.433962 | 0.673077 |
51 | NAG NAG MAN MAN MAN | 0.431579 | 0.66 |
52 | NOJ BGC | 0.430556 | 0.73913 |
53 | Z9N GLC | 0.430556 | 0.846154 |
54 | GLC FRU GLA GLA GLA | 0.43038 | 0.846154 |
55 | GLC FRU GLA GLA | 0.43038 | 0.846154 |
56 | QPU | 0.426829 | 0.772727 |
57 | IFM MAN | 0.424658 | 0.717391 |
58 | NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.418367 | 0.702128 |
59 | BGC GLA GAL | 0.41791 | 0.942857 |
60 | NGB | 0.414634 | 0.6 |
61 | GAL GLA | 0.411765 | 0.942857 |
62 | NOJ GLC | 0.410959 | 0.73913 |
63 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.408451 | 0.942857 |
64 | MAN BMA BMA BMA BMA BMA BMA | 0.408451 | 0.942857 |
65 | GLC GLC GLC GLC BGC GLC GLC | 0.408451 | 0.942857 |
66 | GLO BGC BGC XYS BGC XYS XYS | 0.408163 | 0.918919 |
67 | LSE | 0.407407 | 0.66 |
68 | BQZ | 0.40625 | 0.857143 |
69 | MAN MAN | 0.405797 | 0.942857 |
70 | GLC FRU GLA | 0.404762 | 0.846154 |
71 | BGC BGC BGC BGC BGC BGC | 0.402778 | 0.942857 |
72 | GLC BGC BGC BGC | 0.402778 | 0.942857 |
73 | BGC BGC BGC | 0.402778 | 0.942857 |
74 | BGC BGC BGC BGC BGC | 0.402778 | 0.942857 |
75 | BGC BGC BGC BGC BGC BGC BGC | 0.402778 | 0.942857 |
76 | 5QP | 0.402778 | 0.942857 |
77 | NAG BMA MAN MAN MAN MAN | 0.4 | 0.702128 |
78 | MGL GAL | 0.4 | 0.891892 |
79 | RZM | 0.4 | 0.695652 |
80 | GPM GLC | 0.4 | 0.733333 |
81 | BGC GAL GLA | 0.4 | 0.942857 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | LAG | 0.9370 |
2 | XYP GLC GLC | 0.9331 |
3 | GLC DAF | 0.9325 |
4 | GLC AC1 | 0.9214 |
5 | XYS GLC GLC | 0.9182 |
6 | LM2 | 0.9162 |
7 | SOR GLC GLC | 0.8879 |
8 | BMA BMA BMA | 0.8877 |
9 | GLC BGC BGC | 0.8707 |
10 | GAL GAL GAL | 0.8638 |
This union binding pocket(no: 1) in the query (biounit: 5ttd.bio2) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |