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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4WQ3 | ic50 = 0.1 uM | 3SU | C11 H8 Br N O2 S | c1cc2c(cc1.... |
2 | 5D69 | - | 57T | C18 H12 I2 O4 S2 | c1cc(ccc1/.... |
3 | 1NX3 | - | ISA | C9 H9 I O2 S | c1cc(ccc1C.... |
4 | 1ALW | Ki = 0.3 uM | ISA | C9 H9 I O2 S | c1cc(ccc1C.... |
5 | 4PHK | - | 2UB | C9 H7 Cl O2 S | c1cc(ccc1/.... |
6 | 4PHM | - | 2UD | C11 H8 Br N O2 S | c1cc2c(cc1.... |
7 | 4WQ2 | ic50 = 0.5 uM | 3SU | C11 H8 Br N O2 S | c1cc2c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4WQ3 | ic50 = 0.1 uM | 3SU | C11 H8 Br N O2 S | c1cc2c(cc1.... |
2 | 5D69 | - | 57T | C18 H12 I2 O4 S2 | c1cc(ccc1/.... |
3 | 1NX3 | - | ISA | C9 H9 I O2 S | c1cc(ccc1C.... |
4 | 1ALW | Ki = 0.3 uM | ISA | C9 H9 I O2 S | c1cc(ccc1C.... |
5 | 4PHK | - | 2UB | C9 H7 Cl O2 S | c1cc(ccc1/.... |
6 | 4PHM | - | 2UD | C11 H8 Br N O2 S | c1cc2c(cc1.... |
7 | 4WQ2 | ic50 = 0.5 uM | 3SU | C11 H8 Br N O2 S | c1cc2c(cc1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 4BF | 0.9923 |
2 | PFF | 0.9861 |
3 | TYC | 0.9860 |
4 | TYR | 0.9858 |
5 | DTY | 0.9858 |
6 | EN1 | 0.9824 |
7 | 2UB | 0.9799 |
8 | ENO | 0.9749 |
9 | 0A1 | 0.9681 |
10 | NFA | 0.9681 |
11 | HFA | 0.9660 |
12 | 4CF | 0.9644 |
13 | PHE | 0.9615 |
14 | E0O | 0.9570 |
15 | RQD | 0.9566 |
16 | DAH | 0.9563 |
17 | YOF | 0.9563 |
18 | TYE | 0.9562 |
19 | S0W | 0.9558 |
20 | HC4 | 0.9539 |
21 | HIC | 0.9533 |
22 | R9J | 0.9497 |
23 | IYR | 0.9483 |
24 | B3U | 0.9469 |
25 | BRH | 0.9467 |
26 | DYT | 0.9451 |
27 | FHC | 0.9433 |
28 | F90 | 0.9411 |
29 | PH3 | 0.9404 |
30 | HWD | 0.9399 |
31 | Y4L | 0.9386 |
32 | M74 | 0.9384 |
33 | SHI | 0.9380 |
34 | S2P | 0.9366 |
35 | HXY | 0.9361 |
36 | PCS | 0.9354 |
37 | MMS | 0.9349 |
38 | 33S | 0.9347 |
39 | PPY | 0.9340 |
40 | HPP | 0.9327 |
41 | FTV | 0.9325 |
42 | 3CR | 0.9295 |
43 | 4AF | 0.9286 |
44 | 56D | 0.9285 |
45 | 0A9 | 0.9282 |
46 | HIS | 0.9275 |
47 | IPO | 0.9255 |
48 | AHC | 0.9247 |
49 | 7N8 | 0.9244 |
50 | PBA | 0.9241 |
51 | YPN | 0.9230 |
52 | PF1 | 0.9224 |
53 | CFA | 0.9212 |
54 | FK8 | 0.9204 |
55 | K7M | 0.9203 |
56 | HJH | 0.9201 |
57 | C82 | 0.9187 |
58 | AMQ | 0.9186 |
59 | B40 | 0.9186 |
60 | QH3 | 0.9179 |
61 | J0Z | 0.9174 |
62 | 2LT | 0.9174 |
63 | DHC | 0.9171 |
64 | HF2 | 0.9169 |
65 | PO6 | 0.9165 |
66 | DIR | 0.9144 |
67 | GWM | 0.9140 |
68 | DPN | 0.9139 |
69 | 4ZD | 0.9130 |
70 | YIE | 0.9129 |
71 | QUS | 0.9127 |
72 | CLT | 0.9126 |
73 | 4FP | 0.9124 |
74 | P7Y | 0.9115 |
75 | PPT | 0.9112 |
76 | R2P | 0.9110 |
77 | UN1 | 0.9104 |
78 | GCO | 0.9102 |
79 | CWD | 0.9101 |
80 | TIH | 0.9096 |
81 | IWD | 0.9093 |
82 | BPW | 0.9092 |
83 | LLH | 0.9085 |
84 | P80 | 0.9084 |
85 | PMF | 0.9083 |
86 | M6H | 0.9082 |
87 | FWD | 0.9082 |
88 | 9VQ | 0.9081 |
89 | J4K | 0.9080 |
90 | BWD | 0.9080 |
91 | 3QM | 0.9079 |
92 | 9B3 | 0.9070 |
93 | HHI | 0.9063 |
94 | DCZ | 0.9061 |
95 | LVD | 0.9060 |
96 | 2B4 | 0.9056 |
97 | 4HP | 0.9055 |
98 | XIZ | 0.9049 |
99 | AEG | 0.9046 |
100 | HCI | 0.9035 |
101 | DEW | 0.9034 |
102 | NFM | 0.9032 |
103 | SYC | 0.9029 |
104 | DUR | 0.9019 |
105 | TYL | 0.9008 |
106 | N2Y | 0.9006 |
107 | 61M | 0.8999 |
108 | T03 | 0.8997 |
109 | ARG | 0.8996 |
110 | 4VY | 0.8995 |
111 | F06 | 0.8992 |
112 | IC9 | 0.8989 |
113 | TRP | 0.8988 |
114 | B85 | 0.8987 |
115 | 3YP | 0.8986 |
116 | LGT | 0.8985 |
117 | 1FD | 0.8981 |
118 | CS2 | 0.8976 |
119 | 7UZ | 0.8975 |
120 | MP5 | 0.8973 |
121 | UA5 | 0.8969 |
122 | PPN | 0.8968 |
123 | DXG | 0.8961 |
124 | HHH | 0.8961 |
125 | Q9Z | 0.8959 |
126 | P58 | 0.8955 |
127 | MES | 0.8952 |
128 | CXP | 0.8949 |
129 | SOL | 0.8941 |
130 | 2GA | 0.8940 |
131 | XRX | 0.8938 |
132 | 1BN | 0.8937 |
133 | THU | 0.8935 |
134 | EYJ | 0.8934 |
135 | SOR | 0.8934 |
136 | 1X4 | 0.8929 |
137 | S0F | 0.8927 |
138 | 8U3 | 0.8926 |
139 | Q03 | 0.8926 |
140 | M5E | 0.8925 |
141 | DDU | 0.8924 |
142 | HNL | 0.8921 |
143 | 15E | 0.8919 |
144 | HNK | 0.8918 |
145 | JZA | 0.8916 |
146 | E4P | 0.8915 |
147 | 5O5 | 0.8912 |
148 | YIH | 0.8912 |
149 | 88L | 0.8911 |
150 | 4BX | 0.8910 |
151 | N9J | 0.8909 |
152 | OOG | 0.8905 |
153 | 1Z6 | 0.8899 |
154 | OHJ | 0.8898 |
155 | I4B | 0.8893 |
156 | PAC | 0.8893 |
157 | HMS | 0.8888 |
158 | YF3 | 0.8882 |
159 | QMP | 0.8877 |
160 | XRS | 0.8872 |
161 | HPS | 0.8872 |
162 | TOH | 0.8868 |
163 | HGA | 0.8864 |
164 | 5WZ | 0.8862 |
165 | 1PS | 0.8861 |
166 | S24 | 0.8859 |
167 | N4B | 0.8858 |
168 | DHY | 0.8858 |
169 | CTE | 0.8857 |
170 | S7A | 0.8856 |
171 | PBN | 0.8854 |
172 | AHN | 0.8850 |
173 | I2E | 0.8846 |
174 | 268 | 0.8844 |
175 | NCT | 0.8844 |
176 | KDG | 0.8842 |
177 | DTR | 0.8842 |
178 | NNH | 0.8841 |
179 | K6H | 0.8840 |
180 | 7MK | 0.8839 |
181 | DHI | 0.8838 |
182 | LTN | 0.8837 |
183 | SDF | 0.8836 |
184 | TZM | 0.8835 |
185 | 9W5 | 0.8833 |
186 | PRA | 0.8832 |
187 | MJ5 | 0.8830 |
188 | ENW | 0.8828 |
189 | 27L | 0.8826 |
190 | 9BF | 0.8823 |
191 | SMN | 0.8819 |
192 | 3C4 | 0.8819 |
193 | URO | 0.8819 |
194 | KYN | 0.8818 |
195 | OTR | 0.8818 |
196 | LT1 | 0.8816 |
197 | APG | 0.8815 |
198 | 3PG | 0.8815 |
199 | HX8 | 0.8814 |
200 | QBS | 0.8812 |
201 | FF3 | 0.8810 |
202 | SEP | 0.8806 |
203 | Q02 | 0.8798 |
204 | 173 | 0.8795 |
205 | RLG | 0.8795 |
206 | GGB | 0.8795 |
207 | 36M | 0.8793 |
208 | ICB | 0.8793 |
209 | CH8 | 0.8792 |
210 | 7BC | 0.8792 |
211 | HNH | 0.8788 |
212 | DE3 | 0.8787 |
213 | Q04 | 0.8787 |
214 | HG3 | 0.8786 |
215 | ID2 | 0.8786 |
216 | HL4 | 0.8786 |
217 | AEF | 0.8784 |
218 | GLO | 0.8782 |
219 | BNF | 0.8781 |
220 | 0JD | 0.8781 |
221 | BTM | 0.8773 |
222 | SBK | 0.8771 |
223 | TAG | 0.8771 |
224 | GLR | 0.8771 |
225 | NYL | 0.8770 |
226 | IAR | 0.8765 |
227 | B41 | 0.8763 |
228 | ANU | 0.8763 |
229 | 4FA | 0.8759 |
230 | YRL | 0.8759 |
231 | Q06 | 0.8759 |
232 | M4T | 0.8758 |
233 | 11X | 0.8756 |
234 | 54Z | 0.8756 |
235 | R9M | 0.8751 |
236 | 2C2 | 0.8751 |
237 | JF6 | 0.8751 |
238 | M45 | 0.8749 |
239 | 3VR | 0.8746 |
240 | BQ2 | 0.8745 |
241 | GRO | 0.8744 |
242 | C53 | 0.8738 |
243 | M3H | 0.8738 |
244 | 2HC | 0.8738 |
245 | MLZ | 0.8736 |
246 | A3M | 0.8736 |
247 | LL2 | 0.8734 |
248 | 7Y3 | 0.8729 |
249 | THM | 0.8725 |
250 | FUD | 0.8723 |
251 | GNW | 0.8722 |
252 | RBJ | 0.8721 |
253 | MTL | 0.8719 |
254 | T07 | 0.8719 |
255 | LSQ | 0.8715 |
256 | ABF | 0.8715 |
257 | 9RW | 0.8713 |
258 | PLR | 0.8713 |
259 | 8OZ | 0.8711 |
260 | 3QO | 0.8709 |
261 | GVG | 0.8708 |
262 | DTE | 0.8706 |
263 | X1P | 0.8705 |
264 | 86L | 0.8704 |
265 | FPL | 0.8704 |
266 | HNM | 0.8701 |
267 | LFC | 0.8700 |
268 | ALE | 0.8699 |
269 | LDP | 0.8699 |
270 | M72 | 0.8698 |
271 | 3HP | 0.8696 |
272 | 9RH | 0.8691 |
273 | B86 | 0.8691 |
274 | A29 | 0.8688 |
275 | 5BT | 0.8688 |
276 | SYM | 0.8682 |
277 | C6Z | 0.8681 |
278 | 3IL | 0.8676 |
279 | API | 0.8676 |
280 | L06 | 0.8676 |
281 | MCY | 0.8675 |
282 | 6C5 | 0.8674 |
283 | F52 | 0.8674 |
284 | 6FZ | 0.8673 |
285 | GLN | 0.8672 |
286 | LNR | 0.8672 |
287 | 3NF | 0.8672 |
288 | AVI | 0.8672 |
289 | MN9 | 0.8666 |
290 | NAG | 0.8666 |
291 | RMN | 0.8662 |
292 | RP3 | 0.8660 |
293 | 263 | 0.8659 |
294 | QY9 | 0.8657 |
295 | 4Z9 | 0.8655 |
296 | 27K | 0.8655 |
297 | 152 | 0.8654 |
298 | 42J | 0.8654 |
299 | HDH | 0.8653 |
300 | CTN | 0.8652 |
301 | 0DN | 0.8652 |
302 | BZQ | 0.8652 |
303 | GLU | 0.8651 |
304 | EPE | 0.8644 |
305 | EUH | 0.8643 |
306 | YI6 | 0.8640 |
307 | 258 | 0.8637 |
308 | T2D | 0.8637 |
309 | DAR | 0.8634 |
310 | DGN | 0.8633 |
311 | URS | 0.8633 |
312 | 9PL | 0.8627 |
313 | KPA | 0.8627 |
314 | IOP | 0.8627 |
315 | 5DS | 0.8624 |
316 | 3W1 | 0.8616 |
317 | MUC | 0.8615 |
318 | 92K | 0.8613 |
319 | JRB | 0.8607 |
320 | DHR | 0.8594 |
321 | M28 | 0.8591 |
322 | B09 | 0.8589 |
323 | MPK | 0.8588 |
324 | XQI | 0.8583 |
325 | ISZ | 0.8580 |
326 | OHP | 0.8579 |
327 | 8XL | 0.8575 |
328 | OIA | 0.8574 |
329 | 4TB | 0.8568 |
330 | PTU | 0.8566 |
331 | IZC | 0.8565 |
332 | LYS | 0.8564 |
333 | 3IP | 0.8549 |
334 | KMH | 0.8523 |
335 | 23J | 0.8521 |
336 | MZM | 0.8518 |
337 | JFM | 0.8517 |
This union binding pocket(no: 1) in the query (biounit: 4wq2.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3TDC | 0EU | 8.67052 |
This union binding pocket(no: 2) in the query (biounit: 4wq2.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |