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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 1 families. | |||||
1 | 1SWW | - | POA | C2 H5 O4 P | C(C=O)P(=O.... |
2 | 1RQL | Ki = 1.79 mM | VSO | C2 H4 O3 S | C=CS(=O)(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1SWW | - | POA | C2 H5 O4 P | C(C=O)P(=O.... |
2 | 1RQL | Ki = 1.79 mM | VSO | C2 H4 O3 S | C=CS(=O)(=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | VSO | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CNH | 1.0000 |
2 | ETF | 0.9987 |
3 | HSW | 0.9962 |
4 | TAN | 0.9929 |
5 | TB0 | 0.9840 |
6 | MMQ | 0.9829 |
7 | 8FH | 0.9669 |
8 | CHT | 0.9593 |
9 | 8X3 | 0.9569 |
10 | FJO | 0.9524 |
11 | XPO | 0.9521 |
12 | TAY | 0.9512 |
13 | 03S | 0.9500 |
14 | ETM | 0.9496 |
15 | GB | 0.9493 |
16 | TAU | 0.9481 |
17 | 2HP | 0.9469 |
18 | 2PA | 0.9468 |
19 | VX | 0.9450 |
20 | BTL | 0.9448 |
21 | FPO | 0.9431 |
22 | PPF | 0.9404 |
23 | POA | 0.9395 |
24 | 2HE | 0.9395 |
25 | TMO | 0.9387 |
26 | GOL | 0.9378 |
27 | GXV | 0.9378 |
28 | EFS | 0.9373 |
29 | P7I | 0.9373 |
30 | COM | 0.9365 |
31 | PO4 | 0.9356 |
32 | 9SB | 0.9343 |
33 | GLY | 0.9338 |
34 | FAH | 0.9324 |
35 | GLV | 0.9318 |
36 | 9XN | 0.9308 |
37 | BF4 | 0.9308 |
38 | FUS | 0.9301 |
39 | BU4 | 0.9292 |
40 | ART | 0.9292 |
41 | HAE | 0.9289 |
42 | PPI | 0.9261 |
43 | LAC | 0.9250 |
44 | GOA | 0.9228 |
45 | TBU | 0.9226 |
46 | F3V | 0.9224 |
47 | J3K | 0.9221 |
48 | AKR | 0.9217 |
49 | WO6 | 0.9216 |
50 | 3GR | 0.9211 |
51 | 2A3 | 0.9208 |
52 | 61G | 0.9201 |
53 | HLT | 0.9199 |
54 | AOA | 0.9197 |
55 | ALA | 0.9194 |
56 | HVB | 0.9188 |
57 | NIE | 0.9187 |
58 | PEJ | 0.9178 |
59 | 39J | 0.9169 |
60 | NMU | 0.9159 |
61 | MGX | 0.9153 |
62 | DZZ | 0.9145 |
63 | AGU | 0.9136 |
64 | 2A1 | 0.9135 |
65 | R3W | 0.9132 |
66 | BAL | 0.9120 |
67 | F50 | 0.9119 |
68 | ATO | 0.9112 |
69 | 1BP | 0.9112 |
70 | BUB | 0.9103 |
71 | HUI | 0.9081 |
72 | BUQ | 0.9068 |
73 | 1AC | 0.9065 |
74 | BMD | 0.9055 |
75 | SMB | 0.9046 |
76 | ABA | 0.9022 |
77 | TSZ | 0.9011 |
78 | BUA | 0.9006 |
79 | SER | 0.9004 |
80 | NHY | 0.9001 |
81 | HV2 | 0.9000 |
82 | DE2 | 0.8993 |
83 | MTG | 0.8991 |
84 | BXA | 0.8986 |
85 | CP2 | 0.8973 |
86 | THR | 0.8973 |
87 | NCM | 0.8969 |
88 | MLA | 0.8969 |
89 | PRI | 0.8968 |
90 | CYS | 0.8951 |
91 | OXL | 0.8945 |
92 | C2N | 0.8942 |
93 | HGY | 0.8941 |
94 | BAE | 0.8937 |
95 | PYR | 0.8932 |
96 | MLI | 0.8927 |
97 | SAR | 0.8926 |
98 | OXM | 0.8922 |
99 | MEU | 0.8921 |
100 | 2HA | 0.8919 |
101 | 6SP | 0.8917 |
102 | TZZ | 0.8914 |
103 | OXD | 0.8913 |
104 | ICN | 0.8913 |
105 | 3OH | 0.8912 |
106 | DAL | 0.8912 |
107 | 03W | 0.8910 |
108 | CP | 0.8907 |
109 | 2OP | 0.8904 |
110 | 1SP | 0.8903 |
111 | HBR | 0.8903 |
112 | 3HR | 0.8900 |
113 | HBS | 0.8895 |
114 | BRP | 0.8893 |
115 | PXO | 0.8890 |
116 | DGY | 0.8887 |
117 | 5KX | 0.8885 |
118 | 2MZ | 0.8882 |
119 | 4MZ | 0.8878 |
120 | 1MZ | 0.8872 |
121 | MR3 | 0.8870 |
122 | 1CB | 0.8865 |
123 | NIS | 0.8863 |
124 | JZ6 | 0.8856 |
125 | ALQ | 0.8855 |
126 | 5MP | 0.8855 |
127 | 2RA | 0.8845 |
128 | DMG | 0.8842 |
129 | ODV | 0.8841 |
130 | BAQ | 0.8841 |
131 | DSN | 0.8840 |
132 | HIU | 0.8837 |
133 | HOW | 0.8830 |
134 | 3ZS | 0.8824 |
135 | 192 | 0.8822 |
136 | 3BB | 0.8821 |
137 | A3B | 0.8820 |
138 | FCN | 0.8816 |
139 | 3TR | 0.8813 |
140 | 2AI | 0.8812 |
141 | GBL | 0.8811 |
142 | 4AX | 0.8810 |
143 | DBB | 0.8793 |
144 | FMS | 0.8790 |
145 | TFS | 0.8789 |
146 | 3SY | 0.8786 |
147 | DCY | 0.8766 |
148 | TB6 | 0.8766 |
149 | MPD | 0.8763 |
150 | AMT | 0.8748 |
151 | SAT | 0.8745 |
152 | EGD | 0.8738 |
153 | NVI | 0.8726 |
154 | VAL | 0.8723 |
155 | PRO | 0.8723 |
156 | 9A4 | 0.8720 |
157 | SSN | 0.8718 |
158 | ATQ | 0.8716 |
159 | SLP | 0.8704 |
160 | DXX | 0.8703 |
161 | 3MT | 0.8702 |
162 | TFB | 0.8698 |
163 | PAE | 0.8696 |
164 | TCV | 0.8688 |
165 | PYZ | 0.8686 |
166 | ES3 | 0.8684 |
167 | BYZ | 0.8683 |
168 | AKB | 0.8682 |
169 | NAK | 0.8679 |
170 | 2KT | 0.8676 |
171 | 7VD | 0.8674 |
172 | XAP | 0.8673 |
173 | S0H | 0.8669 |
174 | MZ0 | 0.8663 |
175 | PUT | 0.8641 |
176 | PYM | 0.8641 |
177 | BUO | 0.8635 |
178 | MMU | 0.8607 |
179 | 3CL | 0.8595 |
180 | DTL | 0.8593 |
181 | BVG | 0.8566 |
This union binding pocket(no: 1) in the query (biounit: 1rql.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |