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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 426 families. | |||||
1 | 2QW1 | Ki = 125 uM | 3MG | C7 H14 O6 | CO[C@H]1[C.... |
2 | 3GBP | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
3 | 2GBP | Kd = 0.1 uM | BGC | C6 H12 O6 | C([C@@H]1[.... |
4 | 1GLG | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
5 | 3GA5 | Kd = 3.2 uM | RGG | C9 H18 O8 | C([C@@H]1[.... |
6 | 2FVY | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
7 | 1GCA | Kd = 0.2 uM | GAL | C6 H12 O6 | C([C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 2QW1 | Ki = 125 uM | 3MG | C7 H14 O6 | CO[C@H]1[C.... |
2 | 3GBP | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
3 | 2GBP | Kd = 0.1 uM | BGC | C6 H12 O6 | C([C@@H]1[.... |
4 | 1GLG | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
5 | 3GA5 | Kd = 3.2 uM | RGG | C9 H18 O8 | C([C@@H]1[.... |
6 | 2FVY | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
7 | 1GCA | Kd = 0.2 uM | GAL | C6 H12 O6 | C([C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | RGG | 1 | 1 |
2 | SER MAN | 0.557692 | 0.756098 |
3 | EBQ | 0.54 | 0.885714 |
4 | J5B | 0.54 | 0.885714 |
5 | 3YW | 0.508772 | 0.72093 |
6 | DEG | 0.5 | 0.810811 |
7 | BHG | 0.471698 | 0.75 |
8 | HEX GLC | 0.471698 | 0.75 |
9 | JZR | 0.471698 | 0.75 |
10 | AMG | 0.466667 | 0.909091 |
11 | GYP | 0.466667 | 0.909091 |
12 | MBG | 0.466667 | 0.909091 |
13 | MMA | 0.466667 | 0.909091 |
14 | B7G | 0.462963 | 0.731707 |
15 | KGM | 0.462963 | 0.731707 |
16 | MMA MAN | 0.462963 | 0.833333 |
17 | BGC GLC GLC GLC GLC | 0.454545 | 0.882353 |
18 | HSJ | 0.454545 | 0.731707 |
19 | BOG | 0.454545 | 0.731707 |
20 | BNG | 0.454545 | 0.731707 |
21 | BGC GLC GLC GLC GLC GLC | 0.454545 | 0.882353 |
22 | 2M8 | 0.433962 | 0.909091 |
23 | GLC EDO GLC | 0.431034 | 0.885714 |
24 | GL1 | 0.428571 | 0.690476 |
25 | XGP | 0.428571 | 0.690476 |
26 | M1P | 0.428571 | 0.690476 |
27 | G1P | 0.428571 | 0.690476 |
28 | GLO GLC | 0.428571 | 1 |
29 | Z9N GLC | 0.423729 | 0.837838 |
30 | NOJ BGC | 0.423729 | 0.688889 |
31 | FK9 | 0.423729 | 0.731707 |
32 | BQZ | 0.42 | 0.90625 |
33 | BMA MAN MAN | 0.419355 | 0.882353 |
34 | IFM MAN | 0.416667 | 0.704545 |
35 | BGC GLA GAL | 0.407407 | 0.882353 |
36 | MAN MAN BMA | 0.40625 | 0.885714 |
37 | MMA MAN MAN | 0.40625 | 0.833333 |
38 | AHR AHR | 0.403846 | 0.8 |
39 | BGC 5VQ GAL GLA | 0.403226 | 0.789474 |
40 | CEZ | 0.403226 | 0.939394 |
41 | GAL GLA | 0.4 | 0.882353 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | G6P | 0.9250 |
2 | IPT | 0.9238 |
3 | 56N | 0.9165 |
4 | 7NU | 0.9151 |
5 | PMP | 0.9139 |
6 | NPL | 0.9107 |
7 | PLP | 0.9106 |
8 | GJK | 0.9102 |
9 | NTF | 0.9095 |
10 | CR1 | 0.9087 |
11 | OX2 | 0.9086 |
12 | 6HP | 0.9086 |
13 | FER | 0.9067 |
14 | 4R1 | 0.9062 |
15 | 6GP | 0.9040 |
16 | BG6 | 0.9023 |
17 | HPT | 0.9022 |
18 | GI4 | 0.9020 |
19 | MBP | 0.9020 |
20 | F6P | 0.9016 |
21 | 1QV | 0.9004 |
22 | SXX | 0.9002 |
23 | QUB | 0.8988 |
24 | RUG | 0.8987 |
25 | M6D | 0.8985 |
26 | N7I | 0.8983 |
27 | 9GP | 0.8983 |
28 | FNA | 0.8970 |
29 | M6P | 0.8961 |
30 | 4GP | 0.8957 |
31 | GLP | 0.8951 |
32 | DXK | 0.8950 |
33 | V2Z | 0.8941 |
34 | L21 | 0.8940 |
35 | CMU | 0.8939 |
36 | CG8 | 0.8931 |
37 | NW1 | 0.8929 |
38 | FF2 | 0.8926 |
39 | AZC | 0.8918 |
40 | GT1 | 0.8916 |
41 | AC2 | 0.8912 |
42 | A4V | 0.8905 |
43 | OSB | 0.8898 |
44 | B4O | 0.8896 |
45 | 3D8 | 0.8893 |
46 | DL6 | 0.8878 |
47 | MXD | 0.8877 |
48 | 6Q3 | 0.8876 |
49 | CMG | 0.8876 |
50 | 3Y7 | 0.8866 |
51 | CIY | 0.8859 |
52 | TA6 | 0.8859 |
53 | NIY | 0.8856 |
54 | GA2 | 0.8850 |
55 | B4L | 0.8847 |
56 | PXP | 0.8838 |
57 | UN4 | 0.8834 |
58 | CPW | 0.8829 |
59 | 1VQ | 0.8828 |
60 | 5E4 | 0.8827 |
61 | PE2 | 0.8823 |
62 | QIF | 0.8814 |
63 | PVK | 0.8812 |
64 | 9F8 | 0.8811 |
65 | AKD | 0.8810 |
66 | M01 | 0.8810 |
67 | 3WJ | 0.8809 |
68 | LLG | 0.8802 |
69 | BDI | 0.8800 |
70 | C9M | 0.8798 |
71 | BGP | 0.8797 |
72 | FUZ | 0.8794 |
73 | XFE | 0.8794 |
74 | SNY | 0.8793 |
75 | 25O | 0.8790 |
76 | 3LJ | 0.8789 |
77 | NBV | 0.8787 |
78 | AYS | 0.8786 |
79 | CCV | 0.8782 |
80 | MPP | 0.8779 |
81 | CGW | 0.8779 |
82 | GNG | 0.8779 |
83 | 7GP | 0.8774 |
84 | JAA | 0.8766 |
85 | PVQ | 0.8766 |
86 | OUB | 0.8766 |
87 | 4XY | 0.8757 |
88 | GAL PHB | 0.8754 |
89 | ZEA | 0.8754 |
90 | ONZ | 0.8749 |
91 | 4MX | 0.8742 |
92 | 6NZ | 0.8734 |
93 | 2KU | 0.8731 |
94 | TRP | 0.8725 |
95 | MUK | 0.8725 |
96 | 7ZC | 0.8722 |
97 | KWB | 0.8719 |
98 | 3B4 | 0.8718 |
99 | 5WM | 0.8712 |
100 | HA6 | 0.8709 |
101 | X04 | 0.8705 |
102 | 78P | 0.8705 |
103 | 2VQ | 0.8704 |
104 | Q5M | 0.8694 |
105 | 3WO | 0.8693 |
106 | 3WN | 0.8693 |
107 | X0T | 0.8693 |
108 | H35 | 0.8693 |
109 | KG1 | 0.8693 |
110 | ML1 | 0.8691 |
111 | XQI | 0.8689 |
112 | AJD | 0.8687 |
113 | FYJ | 0.8686 |
114 | ZIP | 0.8685 |
115 | W8G | 0.8674 |
116 | 2LX | 0.8670 |
117 | 553 | 0.8667 |
118 | ID8 | 0.8665 |
119 | BBY | 0.8661 |
120 | NQH | 0.8659 |
121 | ZEZ | 0.8658 |
122 | TLF | 0.8658 |
123 | 1U7 | 0.8652 |
124 | P0P | 0.8652 |
125 | NFK | 0.8651 |
126 | CP6 | 0.8645 |
127 | 8MP | 0.8644 |
128 | KDM | 0.8633 |
129 | 164 | 0.8631 |
130 | DBQ | 0.8630 |
131 | 1X8 | 0.8627 |
132 | LJ4 | 0.8621 |
133 | 96Z | 0.8616 |
134 | ET0 | 0.8601 |
135 | 28S | 0.8594 |
136 | GZV | 0.8590 |
137 | HVE | 0.8589 |
138 | L3L | 0.8587 |
139 | AUY | 0.8578 |
140 | KFN | 0.8576 |
141 | 9E3 | 0.8575 |
142 | GO8 | 0.8574 |
143 | 7VY | 0.8571 |
144 | 32V | 0.8561 |
145 | JO8 | 0.8559 |
146 | SA0 | 0.8557 |
147 | 5JT | 0.8553 |
148 | 2FD | 0.8548 |
149 | 6J3 | 0.8541 |
150 | PW1 | 0.8533 |
151 | UQ1 | 0.8528 |
This union binding pocket(no: 1) in the query (biounit: 2gbp.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |