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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 | 6DXQ | - | 7QD | C7 H8 O8 | C(C(=O)C(=.... |
2 | 6DXS | - | HJ7 | C7 H6 O7 | C(/C(=C/C(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 6DXQ | - | 7QD | C7 H8 O8 | C(C(=O)C(=.... |
2 | 6DXS | - | HJ7 | C7 H6 O7 | C(/C(=C/C(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HJ7 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NLG | 0.9435 |
2 | 7QD | 0.9430 |
3 | NQM | 0.9397 |
4 | P8D | 0.9208 |
5 | ICT | 0.9203 |
6 | HCA | 0.9196 |
7 | 4BL | 0.9194 |
8 | CSN | 0.9151 |
9 | 4I8 | 0.9126 |
10 | NLQ | 0.9126 |
11 | 6KT | 0.9112 |
12 | FLC | 0.9108 |
13 | TRC | 0.9104 |
14 | K4V | 0.9104 |
15 | 3ZB | 0.9094 |
16 | 363 | 0.9083 |
17 | AQK | 0.9077 |
18 | 4BY | 0.9073 |
19 | CIT | 0.9058 |
20 | MZM | 0.9049 |
21 | EKN | 0.9046 |
22 | UNJ | 0.9045 |
23 | GO2 | 0.9039 |
24 | Y3L | 0.9037 |
25 | AZM | 0.9036 |
26 | GLY LEU | 0.9035 |
27 | AVO | 0.9030 |
28 | RA7 | 0.9029 |
29 | ALA DGL | 0.9025 |
30 | 8NX | 0.9022 |
31 | 1AL | 0.9016 |
32 | 8NB | 0.9008 |
33 | A7H | 0.9006 |
34 | 5GT | 0.9002 |
35 | 7UZ | 0.8995 |
36 | AVI | 0.8994 |
37 | T2D | 0.8989 |
38 | 7O4 | 0.8983 |
39 | PUE | 0.8983 |
40 | OW7 | 0.8981 |
41 | N4E | 0.8981 |
42 | 15N | 0.8978 |
43 | G14 | 0.8975 |
44 | RD4 | 0.8971 |
45 | JBZ | 0.8967 |
46 | PDC | 0.8965 |
47 | IOP | 0.8957 |
48 | ALA LEU | 0.8956 |
49 | 3VX | 0.8955 |
50 | NAG | 0.8952 |
51 | QIV | 0.8950 |
52 | 9ZE | 0.8943 |
53 | P80 | 0.8942 |
54 | 3R4 | 0.8942 |
55 | E1T | 0.8940 |
56 | 4XF | 0.8937 |
57 | EV2 | 0.8935 |
58 | N1E | 0.8934 |
59 | SKF | 0.8932 |
60 | 428 | 0.8932 |
61 | HCT | 0.8929 |
62 | AMR | 0.8927 |
63 | 1F1 | 0.8927 |
64 | GLY ASP | 0.8926 |
65 | LEL | 0.8925 |
66 | ODK | 0.8925 |
67 | DG2 | 0.8923 |
68 | 2HC | 0.8921 |
69 | N91 | 0.8920 |
70 | 657 | 0.8918 |
71 | SNO | 0.8917 |
72 | BIK | 0.8913 |
73 | PPY | 0.8911 |
74 | G88 | 0.8909 |
75 | M5H | 0.8908 |
76 | KYA | 0.8907 |
77 | 0NX | 0.8906 |
78 | 0JD | 0.8905 |
79 | SSC | 0.8904 |
80 | 1A7 | 0.8899 |
81 | 492 | 0.8899 |
82 | 2FX | 0.8898 |
83 | VM1 | 0.8897 |
84 | ZZA | 0.8897 |
85 | J6W | 0.8893 |
86 | SLS | 0.8893 |
87 | XQB | 0.8892 |
88 | S0E | 0.8889 |
89 | JB8 | 0.8888 |
90 | 94W | 0.8888 |
91 | 4NS | 0.8886 |
92 | 344 | 0.8884 |
93 | TCR | 0.8883 |
94 | EUE | 0.8882 |
95 | DNF | 0.8880 |
96 | CWJ | 0.8878 |
97 | 2O8 | 0.8877 |
98 | 2QC | 0.8877 |
99 | CS2 | 0.8875 |
100 | 1FE | 0.8875 |
101 | RNO | 0.8875 |
102 | I2E | 0.8874 |
103 | 6R8 | 0.8873 |
104 | BZJ | 0.8873 |
105 | U7E | 0.8872 |
106 | JAW | 0.8868 |
107 | 549 | 0.8866 |
108 | SRO | 0.8863 |
109 | 2GQ | 0.8863 |
110 | 4AV | 0.8862 |
111 | A5E | 0.8858 |
112 | DRG | 0.8854 |
113 | CFA | 0.8853 |
114 | JDN | 0.8852 |
115 | 78Y | 0.8851 |
116 | ST2 | 0.8850 |
117 | 3VQ | 0.8849 |
118 | TMG | 0.8847 |
119 | 5F5 | 0.8844 |
120 | 12T | 0.8842 |
121 | DY8 | 0.8842 |
122 | 795 | 0.8840 |
123 | TYL | 0.8839 |
124 | 3QV | 0.8837 |
125 | MSR | 0.8833 |
126 | JCZ | 0.8832 |
127 | P9E | 0.8831 |
128 | 61M | 0.8827 |
129 | 3MB | 0.8827 |
130 | ING | 0.8825 |
131 | 0HN | 0.8825 |
132 | BQ2 | 0.8825 |
133 | JP2 | 0.8823 |
134 | MS9 | 0.8823 |
135 | 0UL | 0.8822 |
136 | 4LW | 0.8820 |
137 | 6FB | 0.8820 |
138 | MAJ | 0.8819 |
139 | 9NB | 0.8818 |
140 | AVA | 0.8816 |
141 | 0HO | 0.8815 |
142 | 6NI | 0.8815 |
143 | 6NT | 0.8815 |
144 | C82 | 0.8813 |
145 | BVA | 0.8811 |
146 | 3VS | 0.8810 |
147 | IFG | 0.8810 |
148 | 2B4 | 0.8810 |
149 | TRP | 0.8809 |
150 | 5OO | 0.8807 |
151 | 2D2 | 0.8806 |
152 | CH9 | 0.8805 |
153 | BK9 | 0.8803 |
154 | BRR | 0.8801 |
155 | V1T | 0.8801 |
156 | ONR | 0.8800 |
157 | DZA | 0.8797 |
158 | ZEC | 0.8796 |
159 | 463 | 0.8795 |
160 | XDK | 0.8795 |
161 | QUS | 0.8794 |
162 | TSR | 0.8794 |
163 | LL1 | 0.8793 |
164 | HC4 | 0.8793 |
165 | L22 | 0.8792 |
166 | 4MB | 0.8791 |
167 | PD2 | 0.8789 |
168 | 5LD | 0.8787 |
169 | GCO | 0.8787 |
170 | 8WO | 0.8786 |
171 | 7UC | 0.8784 |
172 | AJG | 0.8781 |
173 | CDT | 0.8781 |
174 | 5TY | 0.8780 |
175 | CPZ | 0.8779 |
176 | 2BX | 0.8779 |
177 | X0U | 0.8779 |
178 | NDG | 0.8779 |
179 | CK2 | 0.8778 |
180 | INF | 0.8777 |
181 | HX4 | 0.8777 |
182 | FDR | 0.8776 |
183 | GVY | 0.8774 |
184 | 2ZM | 0.8774 |
185 | PNP | 0.8774 |
186 | MD6 | 0.8772 |
187 | KMY | 0.8770 |
188 | IAC | 0.8769 |
189 | 3A9 | 0.8768 |
190 | OQC | 0.8766 |
191 | D2G | 0.8765 |
192 | CKA | 0.8763 |
193 | K80 | 0.8761 |
194 | 8G0 | 0.8760 |
195 | 4NP | 0.8759 |
196 | ESX | 0.8758 |
197 | R20 | 0.8757 |
198 | D3G | 0.8757 |
199 | NIG | 0.8754 |
200 | N2I | 0.8753 |
201 | LFQ | 0.8753 |
202 | DXG | 0.8753 |
203 | X1R | 0.8753 |
204 | K97 | 0.8751 |
205 | 1L5 | 0.8751 |
206 | 5NI | 0.8751 |
207 | F4K | 0.8750 |
208 | PSJ | 0.8749 |
209 | FIX | 0.8749 |
210 | ENO | 0.8748 |
211 | ESP | 0.8747 |
212 | 2HU | 0.8746 |
213 | K82 | 0.8745 |
214 | 60L | 0.8745 |
215 | GJP | 0.8742 |
216 | PRL | 0.8741 |
217 | 5SP | 0.8741 |
218 | 5RP | 0.8741 |
219 | ANF | 0.8740 |
220 | 6FG | 0.8739 |
221 | A7N | 0.8738 |
222 | ABI | 0.8738 |
223 | OKM | 0.8737 |
224 | M78 | 0.8736 |
225 | 833 | 0.8736 |
226 | RES | 0.8735 |
227 | HRM | 0.8734 |
228 | AJ1 | 0.8733 |
229 | 2C0 | 0.8733 |
230 | DJN | 0.8733 |
231 | 36M | 0.8732 |
232 | 3TC | 0.8732 |
233 | SNU | 0.8731 |
234 | 0FA | 0.8731 |
235 | 4WK | 0.8730 |
236 | 68A | 0.8730 |
237 | IOS | 0.8730 |
238 | 9BF | 0.8730 |
239 | XCG | 0.8729 |
240 | 5TZ | 0.8727 |
241 | 4RU | 0.8727 |
242 | XI7 | 0.8727 |
243 | IWT | 0.8726 |
244 | 30G | 0.8726 |
245 | EWG | 0.8725 |
246 | TT4 | 0.8725 |
247 | BZ2 | 0.8725 |
248 | GTC | 0.8724 |
249 | 0LO | 0.8724 |
250 | BGU | 0.8723 |
251 | FCD | 0.8721 |
252 | FWB | 0.8721 |
253 | 3NY | 0.8720 |
254 | DEW | 0.8720 |
255 | 27B | 0.8720 |
256 | YZM | 0.8719 |
257 | ODO | 0.8718 |
258 | 3XR | 0.8717 |
259 | P93 | 0.8717 |
260 | GF4 | 0.8713 |
261 | 1HN | 0.8713 |
262 | DMA | 0.8712 |
263 | C53 | 0.8712 |
264 | 88L | 0.8712 |
265 | LGT | 0.8711 |
266 | 5DL | 0.8711 |
267 | 5XW | 0.8709 |
268 | TYR | 0.8709 |
269 | L1T | 0.8707 |
270 | HIS | 0.8706 |
271 | TZF | 0.8706 |
272 | HDH | 0.8705 |
273 | THA | 0.8705 |
274 | KDG | 0.8705 |
275 | YZ9 | 0.8705 |
276 | 5DS | 0.8704 |
277 | PH3 | 0.8704 |
278 | K48 | 0.8703 |
279 | TNX | 0.8703 |
280 | RKV | 0.8703 |
281 | AOT | 0.8702 |
282 | ICB | 0.8698 |
283 | 5F8 | 0.8698 |
284 | 8ZE | 0.8692 |
285 | 4TU | 0.8691 |
286 | NOK | 0.8691 |
287 | HQJ | 0.8691 |
288 | HA5 | 0.8689 |
289 | M5B | 0.8688 |
290 | 4NB | 0.8687 |
291 | VFG | 0.8687 |
292 | AN3 | 0.8686 |
293 | C2Y | 0.8684 |
294 | BL0 | 0.8683 |
295 | SBK | 0.8683 |
296 | 7FF | 0.8682 |
297 | NGA | 0.8682 |
298 | 9R5 | 0.8682 |
299 | E3X | 0.8681 |
300 | J9N | 0.8681 |
301 | S3P | 0.8681 |
302 | DED | 0.8680 |
303 | D1G | 0.8678 |
304 | X48 | 0.8678 |
305 | IQ5 | 0.8677 |
306 | KJU | 0.8676 |
307 | P7Y | 0.8676 |
308 | 92P | 0.8675 |
309 | TXW | 0.8675 |
310 | 5XC | 0.8672 |
311 | JAH | 0.8672 |
312 | X6W | 0.8669 |
313 | GLR | 0.8667 |
314 | 9UL | 0.8666 |
315 | 97T | 0.8666 |
316 | ZON | 0.8666 |
317 | 36Y | 0.8663 |
318 | F4E | 0.8661 |
319 | DTR | 0.8660 |
320 | OTR | 0.8658 |
321 | 2PV | 0.8657 |
322 | M5E | 0.8656 |
323 | 3GV | 0.8656 |
324 | ZYQ | 0.8656 |
325 | B3U | 0.8656 |
326 | 49P | 0.8655 |
327 | M4E | 0.8653 |
328 | A5H | 0.8652 |
329 | PNZ | 0.8652 |
330 | PH2 | 0.8652 |
331 | 9FL | 0.8650 |
332 | IPE | 0.8649 |
333 | DNA | 0.8648 |
334 | HNT | 0.8647 |
335 | 8HC | 0.8647 |
336 | P81 | 0.8643 |
337 | BPY | 0.8642 |
338 | 3W8 | 0.8641 |
339 | BP7 | 0.8641 |
340 | 2F6 | 0.8640 |
341 | L5V | 0.8640 |
342 | 0FK | 0.8639 |
343 | HPP | 0.8638 |
344 | GDL | 0.8637 |
345 | 2O6 | 0.8635 |
346 | X6P | 0.8635 |
347 | SOR | 0.8635 |
348 | QBP | 0.8634 |
349 | E4P | 0.8631 |
350 | 6C9 | 0.8630 |
351 | 5LA | 0.8629 |
352 | FHC | 0.8627 |
353 | 3MF | 0.8627 |
354 | PJW | 0.8626 |
355 | REL | 0.8625 |
356 | B5D | 0.8625 |
357 | 6TZ | 0.8625 |
358 | OW4 | 0.8624 |
359 | TWO | 0.8624 |
360 | 3AE | 0.8623 |
361 | DDU | 0.8622 |
362 | DHC | 0.8622 |
363 | EN1 | 0.8621 |
364 | 6MW | 0.8620 |
365 | ANN | 0.8618 |
366 | LTT | 0.8617 |
367 | 3SU | 0.8617 |
368 | A6P | 0.8615 |
369 | LTN | 0.8613 |
370 | 92G | 0.8611 |
371 | J9Q | 0.8609 |
372 | F52 | 0.8608 |
373 | ASF | 0.8607 |
374 | GAE | 0.8606 |
375 | 7MX | 0.8605 |
376 | ALE | 0.8604 |
377 | 86L | 0.8604 |
378 | 0BP | 0.8603 |
379 | BB4 | 0.8603 |
380 | ES2 | 0.8602 |
381 | 7VP | 0.8598 |
382 | 6ZX | 0.8596 |
383 | 0F3 | 0.8594 |
384 | S7A | 0.8594 |
385 | VC3 | 0.8588 |
386 | F40 | 0.8588 |
387 | II4 | 0.8587 |
388 | 9FE | 0.8586 |
389 | E79 | 0.8582 |
390 | YPN | 0.8582 |
391 | GNL | 0.8580 |
392 | 3VW | 0.8580 |
393 | 4AU | 0.8580 |
394 | KTW | 0.8580 |
395 | FUD | 0.8576 |
396 | AH8 | 0.8575 |
397 | PO6 | 0.8574 |
398 | 4V2 | 0.8572 |
399 | KW8 | 0.8571 |
400 | 6C5 | 0.8570 |
401 | DXK | 0.8570 |
402 | XIZ | 0.8569 |
403 | ZZU | 0.8569 |
404 | 5VL | 0.8567 |
405 | OVM | 0.8566 |
406 | EVF | 0.8566 |
407 | 80G | 0.8563 |
408 | K7H | 0.8561 |
409 | W81 | 0.8561 |
410 | 2PK | 0.8560 |
411 | M6P | 0.8559 |
412 | Q71 | 0.8558 |
413 | PQZ | 0.8557 |
414 | YE7 | 0.8557 |
415 | 4KL | 0.8555 |
416 | DEZ | 0.8552 |
417 | N2M | 0.8551 |
418 | 6FZ | 0.8550 |
419 | EGV | 0.8548 |
420 | RSV | 0.8548 |
421 | P4F | 0.8547 |
422 | JYB | 0.8546 |
423 | FBF | 0.8544 |
424 | 5WZ | 0.8539 |
425 | 2K8 | 0.8538 |
426 | B1J | 0.8537 |
427 | 6C8 | 0.8536 |
428 | DUR | 0.8533 |
429 | B41 | 0.8520 |
430 | 3Y7 | 0.8517 |
431 | QQQ | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 6dxs.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6dxs.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6dxs.bio2) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 6dxs.bio2) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |