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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 13 families. | |||||
1 | 3F7U | ic50 = 246 nM | AG4 | C16 H19 N3 O4 S2 | COCCCNC(=O.... |
2 | 3FW3 | ic50 = 43 nM | ETS | C10 H16 N2 O4 S3 | CCN[C@H]1C.... |
3 | 3F7B | ic50 = 64 nM | AG5 | C20 H19 N3 O3 S2 | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 3F7U | ic50 = 246 nM | AG4 | C16 H19 N3 O4 S2 | COCCCNC(=O.... |
2 | 3FW3 | ic50 = 43 nM | ETS | C10 H16 N2 O4 S3 | CCN[C@H]1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ALL | 1 | 1 |
2 | WOO | 1 | 1 |
3 | BMA | 1 | 1 |
4 | GAL | 1 | 1 |
5 | MAN | 1 | 1 |
6 | BGC | 1 | 1 |
7 | GIV | 1 | 1 |
8 | GXL | 1 | 1 |
9 | GLC | 1 | 1 |
10 | GLA | 1 | 1 |
11 | RIB | 0.653846 | 0.866667 |
12 | 32O | 0.653846 | 0.866667 |
13 | BDR | 0.653846 | 0.866667 |
14 | AHR | 0.653846 | 0.866667 |
15 | Z6J | 0.653846 | 0.866667 |
16 | FUB | 0.653846 | 0.866667 |
17 | GLA BMA | 0.511628 | 0.848485 |
18 | GLA BGC | 0.511628 | 0.848485 |
19 | MAN MAN | 0.511628 | 0.848485 |
20 | GAL GLC | 0.511628 | 0.848485 |
21 | GLA GLC | 0.511628 | 0.848485 |
22 | BGC GLA | 0.511628 | 0.848485 |
23 | MLB | 0.511628 | 0.848485 |
24 | BMA GLA | 0.511628 | 0.848485 |
25 | LAK | 0.511628 | 0.848485 |
26 | GAL GAL | 0.511628 | 0.848485 |
27 | MAN BMA | 0.511628 | 0.848485 |
28 | YDR | 0.5 | 0.8 |
29 | GLC GLC GLC GLC BGC | 0.488889 | 0.848485 |
30 | GLC GLC GLC GLC GLC BGC | 0.488889 | 0.848485 |
31 | BMA MAN MAN | 0.488889 | 0.848485 |
32 | EMZ | 0.472222 | 0.794118 |
33 | G6P | 0.461538 | 0.675 |
34 | BGP | 0.461538 | 0.675 |
35 | M6P | 0.461538 | 0.675 |
36 | A6P | 0.461538 | 0.675 |
37 | BG6 | 0.461538 | 0.675 |
38 | M6D | 0.461538 | 0.675 |
39 | G2F | 0.457143 | 0.875 |
40 | 1GN | 0.457143 | 0.777778 |
41 | 95Z | 0.457143 | 0.777778 |
42 | SHG | 0.457143 | 0.875 |
43 | 2FG | 0.457143 | 0.875 |
44 | X6X | 0.457143 | 0.777778 |
45 | GCS | 0.457143 | 0.777778 |
46 | PA1 | 0.457143 | 0.777778 |
47 | 2H5 | 0.457143 | 0.875 |
48 | G3F | 0.457143 | 0.875 |
49 | GAF | 0.457143 | 0.875 |
50 | GLA GAL | 0.454545 | 0.848485 |
51 | LB2 | 0.454545 | 0.848485 |
52 | CBK | 0.454545 | 0.848485 |
53 | MAL | 0.454545 | 0.848485 |
54 | GLC GLC | 0.454545 | 0.848485 |
55 | MAB | 0.454545 | 0.848485 |
56 | LBT | 0.454545 | 0.848485 |
57 | GLA GLA | 0.454545 | 0.848485 |
58 | BGC GAL | 0.454545 | 0.848485 |
59 | N9S | 0.454545 | 0.848485 |
60 | GLC GAL | 0.454545 | 0.848485 |
61 | GAL BGC | 0.454545 | 0.848485 |
62 | M3M | 0.454545 | 0.848485 |
63 | B2G | 0.454545 | 0.848485 |
64 | GLC BGC | 0.454545 | 0.848485 |
65 | CBI | 0.454545 | 0.848485 |
66 | BGC BMA | 0.454545 | 0.848485 |
67 | LAT | 0.454545 | 0.848485 |
68 | BMA BMA | 0.454545 | 0.848485 |
69 | BMA GAL | 0.454545 | 0.848485 |
70 | MAN GLC | 0.454545 | 0.848485 |
71 | NGR | 0.454545 | 0.848485 |
72 | GLC SGC | 0.444444 | 0.8 |
73 | TCB | 0.444444 | 0.8 |
74 | 3MG | 0.444444 | 0.875 |
75 | YIO | 0.441176 | 0.870968 |
76 | 2GS | 0.432432 | 0.875 |
77 | 2M4 | 0.431818 | 0.848485 |
78 | BMA MAN | 0.431818 | 0.848485 |
79 | BGC GLC | 0.431818 | 0.848485 |
80 | AHR AHR | 0.428571 | 0.764706 |
81 | GLF | 0.428571 | 0.84375 |
82 | FUB AHR | 0.428571 | 0.764706 |
83 | CE8 | 0.416667 | 0.848485 |
84 | CE6 | 0.416667 | 0.848485 |
85 | BGC GLC GLC GLC | 0.416667 | 0.848485 |
86 | GLA GAL BGC | 0.416667 | 0.848485 |
87 | BGC BGC BGC GLC | 0.416667 | 0.848485 |
88 | MLR | 0.416667 | 0.848485 |
89 | BGC BGC GLC | 0.416667 | 0.848485 |
90 | MTT | 0.416667 | 0.848485 |
91 | GLC GLC GLC GLC GLC | 0.416667 | 0.848485 |
92 | B4G | 0.416667 | 0.848485 |
93 | GAL FUC | 0.416667 | 0.848485 |
94 | MAN MAN BMA BMA BMA BMA | 0.416667 | 0.848485 |
95 | BMA BMA BMA | 0.416667 | 0.848485 |
96 | CTR | 0.416667 | 0.848485 |
97 | GLA GAL GLC | 0.416667 | 0.848485 |
98 | MAN BMA BMA BMA BMA BMA | 0.416667 | 0.848485 |
99 | BMA MAN BMA | 0.416667 | 0.848485 |
100 | GAL GAL GAL | 0.416667 | 0.848485 |
101 | GLC BGC GLC | 0.416667 | 0.848485 |
102 | MAN BMA BMA | 0.416667 | 0.848485 |
103 | GLC BGC BGC BGC BGC BGC | 0.416667 | 0.848485 |
104 | BGC GLC GLC GLC GLC | 0.416667 | 0.848485 |
105 | MAN BMA BMA BMA BMA | 0.416667 | 0.848485 |
106 | CE5 | 0.416667 | 0.848485 |
107 | BGC GLC GLC | 0.416667 | 0.848485 |
108 | CTT | 0.416667 | 0.848485 |
109 | BMA BMA BMA BMA BMA BMA | 0.416667 | 0.848485 |
110 | CEY | 0.416667 | 0.848485 |
111 | GLC GAL GAL | 0.416667 | 0.848485 |
112 | DXI | 0.416667 | 0.848485 |
113 | CT3 | 0.416667 | 0.848485 |
114 | GLC BGC BGC | 0.416667 | 0.848485 |
115 | BGC GLC GLC GLC GLC GLC GLC | 0.416667 | 0.848485 |
116 | GLC BGC BGC BGC BGC | 0.416667 | 0.848485 |
117 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.416667 | 0.848485 |
118 | BMA BMA BMA BMA BMA | 0.416667 | 0.848485 |
119 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.416667 | 0.848485 |
120 | MT7 | 0.416667 | 0.848485 |
121 | CEX | 0.416667 | 0.848485 |
122 | BGC BGC BGC BGC | 0.416667 | 0.848485 |
123 | GLC BGC BGC BGC | 0.416667 | 0.848485 |
124 | BGC BGC BGC | 0.416667 | 0.848485 |
125 | BGC BGC BGC GLC BGC BGC | 0.408163 | 0.848485 |
126 | GLC BGC BGC BGC BGC BGC BGC | 0.408163 | 0.848485 |
127 | GLC GLC GLC GLC | 0.408163 | 0.848485 |
128 | GS1 GLC GS1 | 0.408163 | 0.8 |
129 | GLC GLC BGC | 0.408163 | 0.848485 |
130 | GLC GLC GLC | 0.408163 | 0.848485 |
131 | SGC SGC BGC | 0.408163 | 0.8 |
132 | BGC BGC BGC BGC BGC BGC | 0.408163 | 0.848485 |
133 | TRE | 0.405405 | 0.848485 |
134 | 1LL | 0.405405 | 0.771429 |
135 | TDG | 0.405405 | 0.771429 |
136 | BM3 | 0.404762 | 0.7 |
137 | NDG | 0.404762 | 0.7 |
138 | HSQ | 0.404762 | 0.7 |
139 | A2G | 0.404762 | 0.7 |
140 | NGA | 0.404762 | 0.7 |
141 | NAG | 0.404762 | 0.7 |
142 | AHR AHR AHR AHR AHR AHR | 0.4 | 0.764706 |
143 | FUB AHR AHR | 0.4 | 0.764706 |
This union binding pocket(no: 1) in the query (biounit: 3fw3.bio1) has 6 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3fw3.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4TWL | ASC | 44.7154 |