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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 197 families. | |||||
1 | 2I7O | - | REQ | C17 H12 N2 O3 Re | CC1=C2C=CC.... |
2 | 1I53 | - | DPT | C14 H12 N2 | Cc1ccnc2c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 165 families. | |||||
1 | 2I7O | - | REQ | C17 H12 N2 O3 Re | CC1=C2C=CC.... |
2 | 1I53 | - | DPT | C14 H12 N2 | Cc1ccnc2c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DPT | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GNM | 0.9706 |
2 | AA | 0.9619 |
3 | ANF | 0.9591 |
4 | 3J8 | 0.9590 |
5 | 1HN | 0.9582 |
6 | JG8 | 0.9562 |
7 | PEY | 0.9558 |
8 | THA | 0.9552 |
9 | 6QF | 0.9544 |
10 | GJP | 0.9542 |
11 | BPY | 0.9532 |
12 | TIY | 0.9531 |
13 | 4RU | 0.9523 |
14 | ANC | 0.9498 |
15 | 30G | 0.9498 |
16 | AN3 | 0.9482 |
17 | FQX | 0.9470 |
18 | ZYR | 0.9461 |
19 | 9FL | 0.9419 |
20 | 344 | 0.9415 |
21 | 1IT | 0.9409 |
22 | 2FQ | 0.9400 |
23 | DNA | 0.9396 |
24 | 5VL | 0.9395 |
25 | 9CA | 0.9395 |
26 | HRM | 0.9388 |
27 | DRG | 0.9387 |
28 | CH9 | 0.9376 |
29 | 0XT | 0.9372 |
30 | 537 | 0.9371 |
31 | BIK | 0.9335 |
32 | H5B | 0.9331 |
33 | LDR | 0.9329 |
34 | 68A | 0.9319 |
35 | CNI | 0.9316 |
36 | 6FB | 0.9314 |
37 | 9AP | 0.9310 |
38 | JTA | 0.9307 |
39 | X11 | 0.9305 |
40 | E1K | 0.9305 |
41 | BZJ | 0.9301 |
42 | AJY | 0.9299 |
43 | N0Z | 0.9283 |
44 | JYB | 0.9283 |
45 | 2K8 | 0.9282 |
46 | PJW | 0.9279 |
47 | 8HC | 0.9271 |
48 | 0JD | 0.9271 |
49 | 27B | 0.9268 |
50 | GNV | 0.9268 |
51 | 8MO | 0.9267 |
52 | 0FK | 0.9249 |
53 | 15N | 0.9246 |
54 | AJV | 0.9238 |
55 | EMO | 0.9233 |
56 | 3R4 | 0.9221 |
57 | E1T | 0.9217 |
58 | ZSP | 0.9216 |
59 | 8XL | 0.9215 |
60 | 15E | 0.9214 |
61 | 3QV | 0.9211 |
62 | K97 | 0.9205 |
63 | 0N7 | 0.9197 |
64 | 9UL | 0.9194 |
65 | TOF | 0.9189 |
66 | 1VK | 0.9187 |
67 | 5RO | 0.9181 |
68 | GNY | 0.9179 |
69 | HQD | 0.9177 |
70 | S60 | 0.9172 |
71 | HHS | 0.9170 |
72 | XM5 | 0.9169 |
73 | BGU | 0.9166 |
74 | F2W | 0.9165 |
75 | 5TY | 0.9164 |
76 | DNQ | 0.9163 |
77 | PRL | 0.9152 |
78 | KYA | 0.9151 |
79 | HBO | 0.9147 |
80 | 1KP | 0.9146 |
81 | V1T | 0.9140 |
82 | 12T | 0.9139 |
83 | H4B | 0.9137 |
84 | X8D | 0.9136 |
85 | 39O | 0.9136 |
86 | L22 | 0.9131 |
87 | 3PF | 0.9126 |
88 | ROI | 0.9121 |
89 | AZ9 | 0.9120 |
90 | JP2 | 0.9120 |
91 | CK2 | 0.9115 |
92 | 4KL | 0.9114 |
93 | 6BL | 0.9113 |
94 | AY4 | 0.9113 |
95 | FDR | 0.9110 |
96 | X0U | 0.9107 |
97 | G12 | 0.9099 |
98 | LFN | 0.9099 |
99 | 6ZW | 0.9095 |
100 | HA5 | 0.9095 |
101 | BZE | 0.9093 |
102 | LUM | 0.9090 |
103 | EN1 | 0.9090 |
104 | TXQ | 0.9083 |
105 | 5QY | 0.9082 |
106 | D48 | 0.9081 |
107 | 9TF | 0.9078 |
108 | DX3 | 0.9076 |
109 | JRO | 0.9073 |
110 | JWS | 0.9062 |
111 | SLS | 0.9062 |
112 | JY4 | 0.9061 |
113 | 2JK | 0.9060 |
114 | 6NT | 0.9059 |
115 | MNY | 0.9057 |
116 | DK1 | 0.9057 |
117 | 4V2 | 0.9054 |
118 | K44 | 0.9050 |
119 | 1DR | 0.9050 |
120 | KW8 | 0.9045 |
121 | BPU | 0.9044 |
122 | CLZ | 0.9041 |
123 | 28N | 0.9039 |
124 | N2M | 0.9035 |
125 | J5I | 0.9034 |
126 | BEA | 0.9034 |
127 | 8NX | 0.9031 |
128 | 54X | 0.9030 |
129 | 3Y7 | 0.9030 |
130 | 0HO | 0.9030 |
131 | 1A7 | 0.9027 |
132 | M5H | 0.9026 |
133 | GF4 | 0.9025 |
134 | C2Y | 0.9021 |
135 | 92P | 0.9020 |
136 | SE2 | 0.9017 |
137 | 9ZE | 0.9016 |
138 | 0BP | 0.9015 |
139 | G3E | 0.9014 |
140 | WS7 | 0.9014 |
141 | M3E | 0.9013 |
142 | II4 | 0.9013 |
143 | LI6 | 0.9011 |
144 | 1F1 | 0.9007 |
145 | 5VJ | 0.9003 |
146 | 3NY | 0.9002 |
147 | WSD | 0.9000 |
148 | 0F9 | 0.8998 |
149 | 0HN | 0.8997 |
150 | KMY | 0.8997 |
151 | WS6 | 0.8991 |
152 | 2HU | 0.8990 |
153 | BA5 | 0.8988 |
154 | 9KT | 0.8985 |
155 | Z5P | 0.8984 |
156 | 3A9 | 0.8983 |
157 | H70 | 0.8980 |
158 | DNF | 0.8977 |
159 | X48 | 0.8975 |
160 | 37T | 0.8975 |
161 | LL1 | 0.8975 |
162 | ESI | 0.8974 |
163 | 2ZM | 0.8973 |
164 | TT4 | 0.8972 |
165 | KTW | 0.8971 |
166 | JAW | 0.8968 |
167 | 3D1 | 0.8966 |
168 | ABI | 0.8961 |
169 | NRA | 0.8960 |
170 | NAG | 0.8955 |
171 | WUB | 0.8955 |
172 | B56 | 0.8950 |
173 | ITE | 0.8946 |
174 | LZ2 | 0.8946 |
175 | 6NI | 0.8945 |
176 | BIO | 0.8944 |
177 | 5NI | 0.8943 |
178 | CFF | 0.8943 |
179 | 5NS | 0.8942 |
180 | TWO | 0.8940 |
181 | PH2 | 0.8937 |
182 | ESX | 0.8936 |
183 | 2KA | 0.8934 |
184 | JB8 | 0.8934 |
185 | JDN | 0.8933 |
186 | FLV | 0.8932 |
187 | 6ME | 0.8928 |
188 | GHM | 0.8928 |
189 | M4E | 0.8928 |
190 | 9FE | 0.8927 |
191 | 7B3 | 0.8926 |
192 | BNL | 0.8926 |
193 | 8WO | 0.8924 |
194 | 582 | 0.8922 |
195 | 4BL | 0.8922 |
196 | SG2 | 0.8922 |
197 | JU2 | 0.8920 |
198 | BZ2 | 0.8919 |
199 | SKF | 0.8919 |
200 | 3VX | 0.8918 |
201 | GO2 | 0.8918 |
202 | MNX | 0.8915 |
203 | N91 | 0.8911 |
204 | 4AN | 0.8908 |
205 | 2LY | 0.8906 |
206 | XHP | 0.8906 |
207 | ICO | 0.8905 |
208 | 5AD | 0.8900 |
209 | 226 | 0.8894 |
210 | HHR | 0.8893 |
211 | M2K | 0.8890 |
212 | 0FR | 0.8890 |
213 | 4BY | 0.8889 |
214 | EA1 | 0.8888 |
215 | 209 | 0.8884 |
216 | 6X9 | 0.8883 |
217 | FF2 | 0.8881 |
218 | QX4 | 0.8881 |
219 | B62 | 0.8878 |
220 | 6KT | 0.8878 |
221 | 2J1 | 0.8872 |
222 | 0FO | 0.8872 |
223 | 2O6 | 0.8869 |
224 | BQ2 | 0.8869 |
225 | DBF | 0.8865 |
226 | 5WY | 0.8864 |
227 | 4AA | 0.8864 |
228 | 44W | 0.8863 |
229 | ESP | 0.8863 |
230 | DQU | 0.8863 |
231 | CCV | 0.8863 |
232 | 428 | 0.8863 |
233 | DNC | 0.8862 |
234 | MUR | 0.8861 |
235 | CKA | 0.8861 |
236 | 0W1 | 0.8856 |
237 | HQJ | 0.8853 |
238 | TTL | 0.8853 |
239 | 9R5 | 0.8853 |
240 | ICB | 0.8851 |
241 | 363 | 0.8850 |
242 | 4I8 | 0.8849 |
243 | 4MU | 0.8848 |
244 | BP7 | 0.8847 |
245 | 1YL | 0.8844 |
246 | IWT | 0.8844 |
247 | I6G | 0.8844 |
248 | 12Q | 0.8841 |
249 | 4JQ | 0.8841 |
250 | 5V7 | 0.8840 |
251 | VXX | 0.8840 |
252 | 3ZB | 0.8838 |
253 | N8Y | 0.8838 |
254 | TCR | 0.8837 |
255 | NID | 0.8836 |
256 | 8ZE | 0.8835 |
257 | 2WU | 0.8834 |
258 | MQN | 0.8833 |
259 | E7S | 0.8832 |
260 | 5RN | 0.8831 |
261 | GNJ | 0.8831 |
262 | 7W1 | 0.8831 |
263 | KJU | 0.8831 |
264 | AP4 | 0.8830 |
265 | UFO | 0.8828 |
266 | MXD | 0.8825 |
267 | 5NE | 0.8825 |
268 | KJH | 0.8825 |
269 | EXD | 0.8823 |
270 | PYQ | 0.8823 |
271 | IQZ | 0.8823 |
272 | B21 | 0.8821 |
273 | OTW | 0.8820 |
274 | 5GT | 0.8819 |
275 | 64C | 0.8818 |
276 | 27M | 0.8817 |
277 | A29 | 0.8816 |
278 | PHH | 0.8816 |
279 | ZME | 0.8816 |
280 | CZ0 | 0.8814 |
281 | HBI | 0.8814 |
282 | ONR | 0.8814 |
283 | F31 | 0.8805 |
284 | 44V | 0.8804 |
285 | UNJ | 0.8804 |
286 | VK3 | 0.8802 |
287 | 4NB | 0.8801 |
288 | NQ | 0.8801 |
289 | 8G6 | 0.8801 |
290 | SYV | 0.8800 |
291 | RXA | 0.8798 |
292 | R20 | 0.8797 |
293 | 5QX | 0.8796 |
294 | MVN | 0.8796 |
295 | INE | 0.8794 |
296 | FHC | 0.8794 |
297 | 4TU | 0.8793 |
298 | HNA | 0.8793 |
299 | 2HC | 0.8793 |
300 | MPV | 0.8790 |
301 | 0TU | 0.8790 |
302 | MD6 | 0.8790 |
303 | LT2 | 0.8789 |
304 | PXL | 0.8789 |
305 | KYN | 0.8784 |
306 | TMG | 0.8784 |
307 | SKA | 0.8780 |
308 | S98 | 0.8779 |
309 | CB1 | 0.8777 |
310 | LQ2 | 0.8776 |
311 | BHQ | 0.8776 |
312 | HQT | 0.8776 |
313 | XCG | 0.8776 |
314 | APS | 0.8776 |
315 | 78Y | 0.8775 |
316 | 549 | 0.8774 |
317 | 1ZC | 0.8772 |
318 | IA2 | 0.8771 |
319 | 7ZE | 0.8770 |
320 | 1QP | 0.8768 |
321 | 0FN | 0.8768 |
322 | ZHA | 0.8762 |
323 | 5GU | 0.8761 |
324 | L5V | 0.8759 |
325 | PMA | 0.8758 |
326 | 4Z4 | 0.8757 |
327 | 86J | 0.8757 |
328 | 2GQ | 0.8756 |
329 | 6E8 | 0.8755 |
330 | MUA | 0.8753 |
331 | A5H | 0.8750 |
332 | 97T | 0.8750 |
333 | J9Q | 0.8750 |
334 | PQ0 | 0.8749 |
335 | BDP | 0.8749 |
336 | DX1 | 0.8748 |
337 | VNL | 0.8747 |
338 | MS9 | 0.8746 |
339 | ARP | 0.8741 |
340 | 6RQ | 0.8739 |
341 | MAJ | 0.8735 |
342 | C9E | 0.8735 |
343 | 4ME | 0.8732 |
344 | THM | 0.8726 |
345 | Q77 | 0.8726 |
346 | DIN | 0.8725 |
347 | PMP | 0.8724 |
348 | KUF | 0.8722 |
349 | 8XQ | 0.8721 |
350 | JLZ | 0.8721 |
351 | ACE TRP | 0.8720 |
352 | 7ME | 0.8717 |
353 | 4YO | 0.8717 |
354 | IOS | 0.8717 |
355 | 5GV | 0.8715 |
356 | K68 | 0.8712 |
357 | PPY | 0.8712 |
358 | N3W | 0.8711 |
359 | D3G | 0.8711 |
360 | M1Z | 0.8710 |
361 | IAC | 0.8708 |
362 | MSR | 0.8708 |
363 | S0E | 0.8707 |
364 | 6TZ | 0.8706 |
365 | N2I | 0.8705 |
366 | 8W9 | 0.8705 |
367 | PRF | 0.8705 |
368 | UKV | 0.8705 |
369 | 795 | 0.8704 |
370 | 2HQ | 0.8696 |
371 | XDE | 0.8695 |
372 | GZL | 0.8695 |
373 | 2J2 | 0.8694 |
374 | NDG | 0.8693 |
375 | LNR | 0.8691 |
376 | JXN | 0.8691 |
377 | 774 | 0.8690 |
378 | TTY | 0.8689 |
379 | IL5 | 0.8689 |
380 | ADN | 0.8685 |
381 | K6X | 0.8685 |
382 | HX4 | 0.8685 |
383 | QMR | 0.8684 |
384 | XFE | 0.8683 |
385 | ZRK | 0.8682 |
386 | APZ | 0.8680 |
387 | ENO | 0.8680 |
388 | 64E | 0.8679 |
389 | H33 | 0.8679 |
390 | 0SY | 0.8676 |
391 | 9KZ | 0.8676 |
392 | F4E | 0.8674 |
393 | K25 | 0.8674 |
394 | JGB | 0.8674 |
395 | Y3L | 0.8673 |
396 | EVF | 0.8673 |
397 | R6T | 0.8673 |
398 | 7I2 | 0.8673 |
399 | 6FZ | 0.8672 |
400 | Q71 | 0.8672 |
401 | Z21 | 0.8668 |
402 | OCZ | 0.8668 |
403 | K7H | 0.8665 |
404 | 4NC | 0.8665 |
405 | CWS | 0.8664 |
406 | DHB | 0.8664 |
407 | 19E | 0.8664 |
408 | QPR | 0.8663 |
409 | 0LO | 0.8663 |
410 | HKD | 0.8663 |
411 | PDC | 0.8662 |
412 | INO | 0.8662 |
413 | GZ2 | 0.8662 |
414 | JR2 | 0.8661 |
415 | 9CE | 0.8661 |
416 | VUP | 0.8661 |
417 | PD2 | 0.8661 |
418 | 0P6 | 0.8660 |
419 | 8CM | 0.8659 |
420 | NCT | 0.8658 |
421 | FHB | 0.8657 |
422 | 2AK | 0.8657 |
423 | HNT | 0.8656 |
424 | BSP | 0.8655 |
425 | 1Z6 | 0.8653 |
426 | 36E | 0.8650 |
427 | MOK | 0.8649 |
428 | A7W | 0.8649 |
429 | 5XL | 0.8648 |
430 | AJ2 | 0.8646 |
431 | 2D3 | 0.8646 |
432 | M6Z | 0.8644 |
433 | 2D2 | 0.8642 |
434 | 4A3 | 0.8642 |
435 | KGK | 0.8642 |
436 | SYA | 0.8641 |
437 | 4NO | 0.8641 |
438 | AQO | 0.8640 |
439 | CHB | 0.8636 |
440 | QMS | 0.8636 |
441 | PE0 | 0.8632 |
442 | 3HM | 0.8630 |
443 | JF1 | 0.8630 |
444 | 7VP | 0.8630 |
445 | NDH | 0.8630 |
446 | P9P | 0.8626 |
447 | NNO | 0.8625 |
448 | OQC | 0.8625 |
449 | KJ5 | 0.8625 |
450 | X0W | 0.8624 |
451 | IPD | 0.8624 |
452 | 93K | 0.8623 |
453 | 49O | 0.8622 |
454 | MRW | 0.8620 |
455 | M78 | 0.8620 |
456 | TGX | 0.8620 |
457 | 8NB | 0.8619 |
458 | MNS | 0.8618 |
459 | DXK | 0.8617 |
460 | 8SK | 0.8616 |
461 | AH9 | 0.8616 |
462 | 4WL | 0.8615 |
463 | 2HO | 0.8615 |
464 | 6VD | 0.8613 |
465 | DDU | 0.8611 |
466 | 4G2 | 0.8610 |
467 | DBQ | 0.8610 |
468 | JF2 | 0.8610 |
469 | 39Z | 0.8610 |
470 | M5K | 0.8609 |
471 | OA3 | 0.8606 |
472 | Q24 | 0.8605 |
473 | TR4 | 0.8605 |
474 | MAQ | 0.8604 |
475 | 7MX | 0.8603 |
476 | MYJ | 0.8601 |
477 | L7T | 0.8601 |
478 | B60 | 0.8598 |
479 | CX6 | 0.8595 |
480 | QIV | 0.8595 |
481 | KDV | 0.8593 |
482 | AZ8 | 0.8593 |
483 | RHN | 0.8592 |
484 | HRD | 0.8590 |
485 | MEW | 0.8589 |
486 | SNU | 0.8589 |
487 | A5E | 0.8587 |
488 | IV2 | 0.8585 |
489 | 9TW | 0.8581 |
490 | TRP | 0.8580 |
491 | A1Y | 0.8580 |
492 | 3AE | 0.8580 |
493 | KWH | 0.8579 |
494 | 4HC | 0.8577 |
495 | OCH | 0.8574 |
496 | KKN | 0.8574 |
497 | 4HB | 0.8572 |
498 | M6N | 0.8572 |
499 | 0NX | 0.8572 |
500 | GDE | 0.8571 |
501 | 3DT | 0.8568 |
502 | P9E | 0.8567 |
503 | COU | 0.8567 |
504 | NLA | 0.8567 |
505 | DPZ | 0.8566 |
506 | K32 | 0.8564 |
507 | KJY | 0.8562 |
508 | LR5 | 0.8561 |
509 | QSB | 0.8556 |
510 | ZYQ | 0.8550 |
511 | 173 | 0.8545 |
512 | AMR | 0.8535 |
513 | 8DA | 0.8534 |
514 | XQK | 0.8534 |
515 | 4ZA | 0.8514 |
516 | HMD | 0.8510 |
This union binding pocket(no: 1) in the query (biounit: 2i7o.bio1) has 5 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |