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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 2 families. | |||||
1 | 4OB1 | - | BUB | C4 H11 B O2 | B(CCCC)(O).... |
2 | 4OB0 | Ki = 5 uM | PBC | C6 H7 B O2 | B(c1ccccc1.... |
3 | 4OB2 | - | BUB | C4 H11 B O2 | B(CCCC)(O).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4OB1 | - | BUB | C4 H11 B O2 | B(CCCC)(O).... |
2 | 4OB0 | Ki = 5 uM | PBC | C6 H7 B O2 | B(c1ccccc1.... |
3 | 4OB2 | - | BUB | C4 H11 B O2 | B(CCCC)(O).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BUB | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BUA | 1.0000 |
2 | BAL | 1.0000 |
3 | ITU | 0.9965 |
4 | BMD | 0.9965 |
5 | BU4 | 0.9898 |
6 | DSS | 0.9892 |
7 | SAR | 0.9858 |
8 | ABU | 0.9846 |
9 | BUQ | 0.9845 |
10 | PUT | 0.9821 |
11 | PE9 | 0.9807 |
12 | EGD | 0.9805 |
13 | SLP | 0.9794 |
14 | SSN | 0.9745 |
15 | A8C | 0.9687 |
16 | LEA | 0.9685 |
17 | AOA | 0.9678 |
18 | BXO | 0.9671 |
19 | ETX | 0.9669 |
20 | MTG | 0.9665 |
21 | MTD | 0.9656 |
22 | XAP | 0.9650 |
23 | MSF | 0.9636 |
24 | R3W | 0.9604 |
25 | 3OH | 0.9601 |
26 | SIN | 0.9589 |
27 | DBB | 0.9586 |
28 | A3B | 0.9586 |
29 | MLI | 0.9581 |
30 | 3SS | 0.9578 |
31 | 03W | 0.9563 |
32 | DGY | 0.9563 |
33 | 3BB | 0.9562 |
34 | SMB | 0.9550 |
35 | 2RA | 0.9550 |
36 | PYR | 0.9541 |
37 | CYS | 0.9539 |
38 | SER | 0.9537 |
39 | DSN | 0.9532 |
40 | 4HA | 0.9530 |
41 | YIV | 0.9520 |
42 | HUI | 0.9517 |
43 | IVA | 0.9516 |
44 | AML | 0.9514 |
45 | HIU | 0.9512 |
46 | BBU | 0.9512 |
47 | PG3 | 0.9508 |
48 | GLY | 0.9505 |
49 | 8X3 | 0.9502 |
50 | C2N | 0.9501 |
51 | NBN | 0.9497 |
52 | 1KA | 0.9497 |
53 | PPI | 0.9490 |
54 | 0CL | 0.9484 |
55 | VKC | 0.9483 |
56 | O8Y | 0.9481 |
57 | AAE | 0.9477 |
58 | MLA | 0.9473 |
59 | HE2 | 0.9470 |
60 | 39J | 0.9466 |
61 | MLM | 0.9464 |
62 | DCY | 0.9463 |
63 | CHT | 0.9460 |
64 | HTX | 0.9455 |
65 | 9X7 | 0.9453 |
66 | F3V | 0.9447 |
67 | FAH | 0.9439 |
68 | DMG | 0.9435 |
69 | 3CL | 0.9433 |
70 | 1BP | 0.9432 |
71 | 3PY | 0.9413 |
72 | DE2 | 0.9413 |
73 | 5BR | 0.9413 |
74 | ISU | 0.9410 |
75 | DAV | 0.9404 |
76 | HBS | 0.9398 |
77 | CRD | 0.9398 |
78 | OXL | 0.9397 |
79 | FUM | 0.9394 |
80 | 6NA | 0.9392 |
81 | FW5 | 0.9392 |
82 | SGL | 0.9386 |
83 | ALA | 0.9386 |
84 | PXO | 0.9384 |
85 | ALQ | 0.9380 |
86 | 69O | 0.9377 |
87 | GOL | 0.9377 |
88 | GOA | 0.9376 |
89 | 13D | 0.9372 |
90 | DXX | 0.9371 |
91 | P2D | 0.9366 |
92 | SHO | 0.9366 |
93 | NIE | 0.9359 |
94 | 9A7 | 0.9358 |
95 | 266 | 0.9358 |
96 | 2OP | 0.9355 |
97 | LAC | 0.9355 |
98 | GLV | 0.9351 |
99 | HGY | 0.9348 |
100 | OXM | 0.9346 |
101 | TAU | 0.9344 |
102 | NAK | 0.9343 |
103 | 2KT | 0.9338 |
104 | THR | 0.9335 |
105 | HSM | 0.9333 |
106 | 9A4 | 0.9332 |
107 | AKR | 0.9332 |
108 | DAL | 0.9327 |
109 | COM | 0.9322 |
110 | KG7 | 0.9320 |
111 | HBR | 0.9318 |
112 | H95 | 0.9316 |
113 | BXA | 0.9316 |
114 | TSZ | 0.9314 |
115 | 1SP | 0.9311 |
116 | NMU | 0.9310 |
117 | HX2 | 0.9309 |
118 | HVQ | 0.9307 |
119 | HVB | 0.9305 |
120 | C5J | 0.9304 |
121 | 9YL | 0.9300 |
122 | NIS | 0.9298 |
123 | ETM | 0.9287 |
124 | TF4 | 0.9287 |
125 | J3K | 0.9278 |
126 | 2A1 | 0.9273 |
127 | SHF | 0.9266 |
128 | 7CL | 0.9262 |
129 | DQY | 0.9257 |
130 | VX | 0.9255 |
131 | 9SB | 0.9254 |
132 | NVA | 0.9253 |
133 | PRI | 0.9251 |
134 | XPO | 0.9238 |
135 | 2HE | 0.9237 |
136 | POA | 0.9237 |
137 | 3HR | 0.9236 |
138 | HSE | 0.9232 |
139 | PYM | 0.9227 |
140 | CP2 | 0.9226 |
141 | GXV | 0.9215 |
142 | OXD | 0.9213 |
143 | F50 | 0.9212 |
144 | IPU | 0.9211 |
145 | DAB | 0.9207 |
146 | OAA | 0.9206 |
147 | HDA | 0.9195 |
148 | BUO | 0.9195 |
149 | A20 | 0.9193 |
150 | 4MV | 0.9186 |
151 | 61G | 0.9184 |
152 | ABA | 0.9178 |
153 | HCS | 0.9178 |
154 | P7I | 0.9177 |
155 | FJO | 0.9169 |
156 | OPE | 0.9166 |
157 | MZ0 | 0.9164 |
158 | 3HL | 0.9161 |
159 | 2A3 | 0.9160 |
160 | ETF | 0.9146 |
161 | NMG | 0.9144 |
162 | ATO | 0.9138 |
163 | BTL | 0.9137 |
164 | NVI | 0.9137 |
165 | 16D | 0.9136 |
166 | HZP | 0.9136 |
167 | CNH | 0.9128 |
168 | HV2 | 0.9127 |
169 | AMC | 0.9122 |
170 | PPF | 0.9121 |
171 | TAN | 0.9115 |
172 | MAE | 0.9109 |
173 | 2EZ | 0.9109 |
174 | BVG | 0.9107 |
175 | 3GR | 0.9105 |
176 | VSO | 0.9103 |
177 | MEU | 0.9099 |
178 | PG0 | 0.9095 |
179 | HAE | 0.9092 |
180 | D2P | 0.9092 |
181 | ASP | 0.9085 |
182 | MRY | 0.9083 |
183 | IOM | 0.9082 |
184 | ORN | 0.9075 |
185 | LMR | 0.9072 |
186 | CSS | 0.9071 |
187 | BVC | 0.9070 |
188 | FPI | 0.9063 |
189 | PGA | 0.9060 |
190 | HSW | 0.9051 |
191 | BHH | 0.9051 |
192 | OKG | 0.9051 |
193 | DTL | 0.9051 |
194 | LER | 0.9049 |
195 | MMQ | 0.9047 |
196 | VAL | 0.9042 |
197 | 3OL | 0.9038 |
198 | IHG | 0.9030 |
199 | AKB | 0.9028 |
200 | TAY | 0.9024 |
201 | GUA | 0.9023 |
202 | TB0 | 0.9018 |
203 | OSM | 0.9016 |
204 | 1CB | 0.9014 |
205 | 1AC | 0.9012 |
206 | HLT | 0.9011 |
207 | PRO | 0.9010 |
208 | 23W | 0.9009 |
209 | XBT | 0.9006 |
210 | ALO | 0.9004 |
211 | ABN | 0.9001 |
212 | 6SP | 0.8999 |
213 | BAE | 0.8994 |
214 | MGX | 0.8994 |
215 | E60 | 0.8994 |
216 | EFS | 0.8992 |
217 | ACA | 0.8985 |
218 | 2EH | 0.8985 |
219 | 2HA | 0.8971 |
220 | MMU | 0.8967 |
221 | PEA | 0.8966 |
222 | TFB | 0.8963 |
223 | 1SH | 0.8959 |
224 | BP9 | 0.8958 |
225 | MZW | 0.8958 |
226 | ODV | 0.8955 |
227 | GLU | 0.8953 |
228 | FCN | 0.8951 |
229 | 192 | 0.8949 |
230 | IQ0 | 0.8947 |
231 | DCL | 0.8946 |
232 | 1DU | 0.8945 |
233 | MLT | 0.8943 |
234 | 24T | 0.8940 |
235 | 2CO | 0.8938 |
236 | BRJ | 0.8930 |
237 | 0VT | 0.8928 |
238 | 49F | 0.8926 |
239 | M6W | 0.8923 |
240 | ATQ | 0.8918 |
241 | OEG | 0.8918 |
242 | LEU | 0.8914 |
243 | HY1 | 0.8910 |
244 | DTU | 0.8905 |
245 | ZBT | 0.8903 |
246 | TZL | 0.8903 |
247 | COI | 0.8900 |
248 | JZ5 | 0.8896 |
249 | BYZ | 0.8894 |
250 | 1DH | 0.8892 |
251 | CEJ | 0.8892 |
252 | HBA | 0.8891 |
253 | OCT | 0.8885 |
254 | FOA | 0.8884 |
255 | 4SD | 0.8883 |
256 | GLY GLY | 0.8878 |
257 | TZE | 0.8876 |
258 | 282 | 0.8875 |
259 | HBX | 0.8874 |
260 | 25T | 0.8873 |
261 | SYN | 0.8873 |
262 | BRP | 0.8872 |
263 | KIV | 0.8869 |
264 | HAI | 0.8868 |
265 | CXF | 0.8866 |
266 | MET | 0.8863 |
267 | GBL | 0.8863 |
268 | G3P | 0.8861 |
269 | OHG | 0.8857 |
270 | SMV | 0.8857 |
271 | BML | 0.8855 |
272 | KMT | 0.8854 |
273 | CXL | 0.8854 |
274 | ASN | 0.8853 |
275 | PYF | 0.8853 |
276 | CYH | 0.8852 |
277 | FAN | 0.8838 |
278 | TP5 | 0.8838 |
279 | BHL | 0.8832 |
280 | 4MZ | 0.8832 |
281 | JBN | 0.8831 |
282 | TB6 | 0.8831 |
283 | AG2 | 0.8831 |
284 | CMS | 0.8828 |
285 | 2PC | 0.8821 |
286 | MZY | 0.8817 |
287 | 3MT | 0.8815 |
288 | UGC | 0.8814 |
289 | XRG | 0.8813 |
290 | OK7 | 0.8810 |
291 | PAE | 0.8810 |
292 | 273 | 0.8808 |
293 | PAH | 0.8807 |
294 | 2RH | 0.8806 |
295 | S0H | 0.8804 |
296 | IZC | 0.8803 |
297 | 3ZS | 0.8803 |
298 | 7WG | 0.8799 |
299 | TFS | 0.8797 |
300 | URP | 0.8789 |
301 | ILE | 0.8788 |
302 | 1MR | 0.8787 |
303 | PY7 | 0.8785 |
304 | LLQ | 0.8783 |
305 | 5KX | 0.8781 |
306 | GXE | 0.8778 |
307 | PRS | 0.8774 |
308 | TZC | 0.8772 |
309 | FQI | 0.8769 |
310 | CEE | 0.8768 |
311 | CP | 0.8767 |
312 | 4VP | 0.8767 |
313 | NBE | 0.8765 |
314 | 7VD | 0.8763 |
315 | PHB | 0.8759 |
316 | PYJ | 0.8758 |
317 | T2C | 0.8758 |
318 | H8N | 0.8755 |
319 | XYL | 0.8755 |
320 | JZ6 | 0.8753 |
321 | JYD | 0.8750 |
322 | X1S | 0.8750 |
323 | 4JU | 0.8742 |
324 | PCA | 0.8741 |
325 | IXW | 0.8741 |
326 | DTT | 0.8737 |
327 | XLS | 0.8735 |
328 | C21 | 0.8735 |
329 | SAT | 0.8733 |
330 | DYA | 0.8733 |
331 | PEL | 0.8732 |
332 | 5MP | 0.8732 |
333 | MPD | 0.8724 |
334 | 2MH | 0.8721 |
335 | 03S | 0.8714 |
336 | ICN | 0.8714 |
337 | TEO | 0.8713 |
338 | 3PP | 0.8713 |
339 | C2B | 0.8711 |
340 | 4CH | 0.8708 |
341 | 2MZ | 0.8707 |
342 | DPR | 0.8707 |
343 | 7EX | 0.8707 |
344 | NCM | 0.8705 |
345 | 265 | 0.8705 |
346 | EHM | 0.8702 |
347 | AKG | 0.8702 |
348 | 14J | 0.8700 |
349 | GLN | 0.8697 |
350 | HQE | 0.8694 |
351 | 1GP | 0.8688 |
352 | HYN | 0.8687 |
353 | DZZ | 0.8685 |
354 | 8FH | 0.8683 |
355 | SPA | 0.8681 |
356 | 51F | 0.8680 |
357 | PLQ | 0.8679 |
358 | XUL | 0.8678 |
359 | 4JL | 0.8668 |
360 | EDO | 0.8657 |
361 | PGH | 0.8651 |
362 | PXY | 0.8648 |
363 | 3TR | 0.8647 |
364 | 9CL | 0.8646 |
365 | 1MZ | 0.8637 |
366 | APY | 0.8636 |
367 | PCT | 0.8636 |
368 | B24 | 0.8629 |
369 | RSO | 0.8626 |
370 | 1Y8 | 0.8626 |
371 | 13P | 0.8623 |
372 | NIZ | 0.8618 |
373 | FLA | 0.8599 |
374 | DCE | 0.8594 |
375 | R2B | 0.8587 |
376 | G3H | 0.8574 |
377 | HOW | 0.8569 |
378 | MR3 | 0.8568 |
379 | SD4 | 0.8566 |
380 | FMS | 0.8550 |
381 | JAB | 0.8545 |
382 | 2AI | 0.8545 |
383 | BEZ | 0.8530 |
This union binding pocket(no: 1) in the query (biounit: 4ob0.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |