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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 4 families. | |||||
1 | 4XZJ | Kd = 95 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
2 | 4YC0 | Ki = 74 uM | 5OF | C10 H8 N2 O3 | c1ccc2c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 4XZJ | Kd = 95 uM | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
2 | 4YC0 | Ki = 74 uM | 5OF | C10 H8 N2 O3 | c1ccc2c(c1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NLA | 0.9690 |
2 | IBM | 0.9522 |
3 | 57O | 0.9508 |
4 | L21 | 0.9478 |
5 | FXH | 0.9476 |
6 | M3Q | 0.9455 |
7 | QMS | 0.9426 |
8 | 790 | 0.9425 |
9 | 9KH | 0.9421 |
10 | 6DP | 0.9405 |
11 | BK9 | 0.9405 |
12 | 8GK | 0.9387 |
13 | T6Z | 0.9378 |
14 | IAC | 0.9344 |
15 | OSB | 0.9325 |
16 | 6HP | 0.9318 |
17 | 8XQ | 0.9303 |
18 | O2Y | 0.9302 |
19 | TSR | 0.9301 |
20 | KYA | 0.9297 |
21 | KED | 0.9288 |
22 | 4ME | 0.9277 |
23 | 3N4 | 0.9264 |
24 | TQU | 0.9260 |
25 | C9E | 0.9256 |
26 | NPA | 0.9240 |
27 | AIN | 0.9237 |
28 | TRF | 0.9235 |
29 | HNQ | 0.9232 |
30 | 7I2 | 0.9230 |
31 | EYA | 0.9226 |
32 | 7M6 | 0.9223 |
33 | IOS | 0.9219 |
34 | LDR | 0.9212 |
35 | 5PX | 0.9200 |
36 | JR2 | 0.9194 |
37 | 9F8 | 0.9192 |
38 | 6VD | 0.9190 |
39 | VYM | 0.9188 |
40 | 9AP | 0.9185 |
41 | 96R | 0.9185 |
42 | G1P | 0.9184 |
43 | NVU | 0.9181 |
44 | 28S | 0.9177 |
45 | 4KL | 0.9175 |
46 | MUR | 0.9173 |
47 | 2J9 | 0.9170 |
48 | 3C2 | 0.9155 |
49 | 92P | 0.9153 |
50 | 1X8 | 0.9152 |
51 | 7VS | 0.9145 |
52 | M0Q | 0.9137 |
53 | MHK | 0.9135 |
54 | GC2 | 0.9135 |
55 | 5WU | 0.9124 |
56 | 5WN | 0.9118 |
57 | 61M | 0.9115 |
58 | MQB | 0.9111 |
59 | W8G | 0.9111 |
60 | LP8 | 0.9110 |
61 | 61O | 0.9110 |
62 | ZON | 0.9109 |
63 | I6G | 0.9109 |
64 | 8NX | 0.9105 |
65 | 67Y | 0.9101 |
66 | SRO | 0.9101 |
67 | 6J9 | 0.9100 |
68 | AEH | 0.9097 |
69 | M0W | 0.9096 |
70 | 54X | 0.9093 |
71 | NBG | 0.9092 |
72 | BPU | 0.9091 |
73 | 9BF | 0.9083 |
74 | ALN | 0.9079 |
75 | 3B4 | 0.9079 |
76 | K3Q | 0.9077 |
77 | LIP | 0.9076 |
78 | B61 | 0.9075 |
79 | EYM | 0.9072 |
80 | EOL | 0.9072 |
81 | E7R | 0.9067 |
82 | 1QP | 0.9066 |
83 | 7FF | 0.9064 |
84 | OX2 | 0.9064 |
85 | 4OG | 0.9063 |
86 | 7CT | 0.9056 |
87 | DNF | 0.9055 |
88 | 1X7 | 0.9050 |
89 | 2CZ | 0.9048 |
90 | AY4 | 0.9045 |
91 | NAG | 0.9045 |
92 | B4O | 0.9043 |
93 | 2LY | 0.9042 |
94 | QPR | 0.9042 |
95 | 0LH | 0.9042 |
96 | 3RI | 0.9042 |
97 | 30G | 0.9036 |
98 | UAN | 0.9034 |
99 | 512 | 0.9034 |
100 | TNX | 0.9034 |
101 | S3P | 0.9034 |
102 | 5NS | 0.9031 |
103 | SG2 | 0.9030 |
104 | 55D | 0.9030 |
105 | M5H | 0.9030 |
106 | CPW | 0.9027 |
107 | XFE | 0.9026 |
108 | KFH | 0.9025 |
109 | TRP | 0.9021 |
110 | HLZ | 0.9020 |
111 | M4E | 0.9018 |
112 | DNC | 0.9016 |
113 | 3Y7 | 0.9014 |
114 | PVK | 0.9014 |
115 | OUB | 0.9014 |
116 | BB4 | 0.9014 |
117 | PVQ | 0.9013 |
118 | AX3 | 0.9013 |
119 | 8WZ | 0.9011 |
120 | GNV | 0.9009 |
121 | SQP | 0.9008 |
122 | CGW | 0.9007 |
123 | ZME | 0.9003 |
124 | APS | 0.9003 |
125 | C2Y | 0.9003 |
126 | 3R6 | 0.9003 |
127 | LZ2 | 0.9003 |
128 | CKA | 0.9002 |
129 | 60Q | 0.9000 |
130 | NOK | 0.8998 |
131 | NDG | 0.8997 |
132 | O2A | 0.8994 |
133 | UFO | 0.8992 |
134 | HPT | 0.8991 |
135 | 9GP | 0.8990 |
136 | 67X | 0.8989 |
137 | DNA | 0.8988 |
138 | IOP | 0.8984 |
139 | M1H | 0.8983 |
140 | 5VJ | 0.8983 |
141 | 2JK | 0.8981 |
142 | I59 | 0.8980 |
143 | F5C | 0.8979 |
144 | 49N | 0.8979 |
145 | 2ZQ | 0.8978 |
146 | PLP | 0.8976 |
147 | GCB | 0.8973 |
148 | EV3 | 0.8970 |
149 | 9E3 | 0.8969 |
150 | HJB | 0.8969 |
151 | 7ZE | 0.8969 |
152 | SYA | 0.8967 |
153 | 5V7 | 0.8966 |
154 | 7MX | 0.8964 |
155 | M4B | 0.8963 |
156 | GDL | 0.8960 |
157 | C0W | 0.8960 |
158 | LGC | 0.8959 |
159 | XEN | 0.8957 |
160 | 0FK | 0.8956 |
161 | TXW | 0.8952 |
162 | MNP | 0.8952 |
163 | HBO | 0.8950 |
164 | JTH | 0.8949 |
165 | 9UL | 0.8948 |
166 | RD4 | 0.8947 |
167 | FUZ | 0.8945 |
168 | NCV | 0.8945 |
169 | ONZ | 0.8942 |
170 | K68 | 0.8941 |
171 | BGC | 0.8940 |
172 | 2SX | 0.8938 |
173 | R9Y | 0.8938 |
174 | AKD | 0.8938 |
175 | I4D | 0.8937 |
176 | ZZ8 | 0.8937 |
177 | TSS | 0.8936 |
178 | JP2 | 0.8936 |
179 | 2GQ | 0.8936 |
180 | GCU | 0.8936 |
181 | AJD | 0.8934 |
182 | VXX | 0.8930 |
183 | GLC | 0.8929 |
184 | FWB | 0.8927 |
185 | MZM | 0.8924 |
186 | 9ZE | 0.8924 |
187 | G6P | 0.8924 |
188 | OKM | 0.8922 |
189 | CG8 | 0.8920 |
190 | 8W9 | 0.8920 |
191 | BDP | 0.8919 |
192 | CR1 | 0.8919 |
193 | PEY | 0.8919 |
194 | MIG | 0.8918 |
195 | HHT | 0.8916 |
196 | 15N | 0.8915 |
197 | GC3 | 0.8914 |
198 | M02 | 0.8912 |
199 | EXL | 0.8912 |
200 | FLV | 0.8912 |
201 | KLK | 0.8911 |
202 | YTX | 0.8909 |
203 | 5WT | 0.8907 |
204 | HLD | 0.8907 |
205 | YO5 | 0.8906 |
206 | 9UG | 0.8905 |
207 | PDC | 0.8902 |
208 | 2KU | 0.8901 |
209 | ITW | 0.8900 |
210 | M1E | 0.8898 |
211 | 68A | 0.8897 |
212 | NGT | 0.8897 |
213 | CX4 | 0.8896 |
214 | RVE | 0.8896 |
215 | L7T | 0.8895 |
216 | JKZ | 0.8892 |
217 | 5WY | 0.8890 |
218 | DRG | 0.8890 |
219 | 2D3 | 0.8888 |
220 | 5JT | 0.8885 |
221 | 3AK | 0.8883 |
222 | OA3 | 0.8881 |
223 | HA6 | 0.8881 |
224 | DXK | 0.8880 |
225 | VM1 | 0.8878 |
226 | X0W | 0.8877 |
227 | NTZ | 0.8875 |
228 | GAL | 0.8875 |
229 | 4XV | 0.8875 |
230 | IPT | 0.8875 |
231 | 4XS | 0.8874 |
232 | IPD | 0.8873 |
233 | V1T | 0.8873 |
234 | GV9 | 0.8873 |
235 | OMD | 0.8872 |
236 | K3Y | 0.8871 |
237 | S7B | 0.8871 |
238 | HA5 | 0.8871 |
239 | BPS | 0.8868 |
240 | DTR | 0.8868 |
241 | 0JD | 0.8865 |
242 | SYR | 0.8864 |
243 | 1U7 | 0.8863 |
244 | QZ8 | 0.8863 |
245 | H5B | 0.8861 |
246 | DBJ | 0.8860 |
247 | 774 | 0.8860 |
248 | F34 | 0.8858 |
249 | 1QV | 0.8858 |
250 | PXL | 0.8857 |
251 | 8XL | 0.8855 |
252 | AMR | 0.8855 |
253 | DK1 | 0.8853 |
254 | EVA | 0.8851 |
255 | IJZ | 0.8850 |
256 | 4R1 | 0.8849 |
257 | 4XY | 0.8848 |
258 | 772 | 0.8848 |
259 | NGO | 0.8847 |
260 | GNM | 0.8846 |
261 | BA5 | 0.8845 |
262 | M6Z | 0.8843 |
263 | 22L | 0.8843 |
264 | SBK | 0.8843 |
265 | EXD | 0.8843 |
266 | BG6 | 0.8842 |
267 | Z5P | 0.8842 |
268 | M6D | 0.8841 |
269 | CSN | 0.8836 |
270 | PRZ | 0.8835 |
271 | M5N | 0.8835 |
272 | VNL | 0.8833 |
273 | 0W1 | 0.8832 |
274 | TWB | 0.8830 |
275 | W81 | 0.8830 |
276 | GTV | 0.8829 |
277 | ICO | 0.8829 |
278 | ARP | 0.8826 |
279 | 6XI | 0.8826 |
280 | 878 | 0.8825 |
281 | N8Y | 0.8824 |
282 | GCS | 0.8822 |
283 | BY5 | 0.8820 |
284 | 5GL | 0.8820 |
285 | 226 | 0.8820 |
286 | 1FF | 0.8820 |
287 | KG1 | 0.8818 |
288 | 0GZ | 0.8818 |
289 | 64C | 0.8818 |
290 | JF1 | 0.8817 |
291 | CUT | 0.8815 |
292 | XQI | 0.8814 |
293 | L07 | 0.8814 |
294 | SR4 | 0.8814 |
295 | 78P | 0.8813 |
296 | P9T | 0.8812 |
297 | N1E | 0.8811 |
298 | 4MU | 0.8810 |
299 | PXP | 0.8808 |
300 | CC5 | 0.8808 |
301 | NBV | 0.8806 |
302 | YSO | 0.8804 |
303 | STT | 0.8803 |
304 | Q5M | 0.8802 |
305 | CRB | 0.8800 |
306 | 209 | 0.8800 |
307 | 3MG | 0.8800 |
308 | EGR | 0.8800 |
309 | X8D | 0.8799 |
310 | IBC | 0.8799 |
311 | I7A | 0.8797 |
312 | 96U | 0.8797 |
313 | X0T | 0.8795 |
314 | 7B3 | 0.8795 |
315 | 4MX | 0.8795 |
316 | 6PB | 0.8794 |
317 | V55 | 0.8793 |
318 | MS0 | 0.8793 |
319 | GOX | 0.8793 |
320 | CBF | 0.8792 |
321 | ONR | 0.8792 |
322 | 23J | 0.8792 |
323 | K2P | 0.8791 |
324 | 5NE | 0.8789 |
325 | ALR | 0.8788 |
326 | 0F9 | 0.8787 |
327 | N2M | 0.8785 |
328 | KGK | 0.8784 |
329 | 7SX | 0.8784 |
330 | 8ZE | 0.8782 |
331 | UFV | 0.8781 |
332 | TVP | 0.8781 |
333 | PMP | 0.8781 |
334 | 96Z | 0.8781 |
335 | CCV | 0.8781 |
336 | 8VE | 0.8780 |
337 | NID | 0.8780 |
338 | 4A5 | 0.8779 |
339 | AM1 | 0.8779 |
340 | 4AV | 0.8777 |
341 | JXZ | 0.8777 |
342 | CFA | 0.8776 |
343 | 8HC | 0.8776 |
344 | PFB | 0.8776 |
345 | KFN | 0.8775 |
346 | YKG | 0.8773 |
347 | 977 | 0.8773 |
348 | X04 | 0.8773 |
349 | F12 | 0.8772 |
350 | SKF | 0.8771 |
351 | 42C | 0.8771 |
352 | LZB | 0.8770 |
353 | 25O | 0.8770 |
354 | H33 | 0.8768 |
355 | AKH | 0.8768 |
356 | EWG | 0.8767 |
357 | BDI | 0.8765 |
358 | 1SS | 0.8765 |
359 | LTM | 0.8765 |
360 | EXR | 0.8761 |
361 | 2O6 | 0.8760 |
362 | 6BL | 0.8760 |
363 | NQH | 0.8760 |
364 | EV0 | 0.8759 |
365 | 49O | 0.8759 |
366 | H7Y | 0.8758 |
367 | CTE | 0.8757 |
368 | Q6T | 0.8756 |
369 | 582 | 0.8753 |
370 | MXX | 0.8752 |
371 | KBG | 0.8752 |
372 | L8J | 0.8751 |
373 | XQK | 0.8751 |
374 | F52 | 0.8749 |
375 | 091 | 0.8748 |
376 | F95 | 0.8748 |
377 | 7WR | 0.8746 |
378 | XH2 | 0.8744 |
379 | F69 | 0.8744 |
380 | 8G6 | 0.8744 |
381 | BQ5 | 0.8743 |
382 | 2LX | 0.8742 |
383 | EV2 | 0.8741 |
384 | 657 | 0.8741 |
385 | GP1 | 0.8740 |
386 | FBG | 0.8739 |
387 | 15L | 0.8739 |
388 | 4GP | 0.8738 |
389 | KTW | 0.8738 |
390 | 2K8 | 0.8738 |
391 | ESI | 0.8738 |
392 | MS9 | 0.8737 |
393 | KF5 | 0.8737 |
394 | 8WT | 0.8735 |
395 | M6P | 0.8735 |
396 | HA7 | 0.8735 |
397 | GLP | 0.8732 |
398 | X09 | 0.8731 |
399 | S3B | 0.8730 |
400 | 1A7 | 0.8729 |
401 | NLQ | 0.8728 |
402 | 5RN | 0.8725 |
403 | B23 | 0.8723 |
404 | 363 | 0.8722 |
405 | GDE | 0.8722 |
406 | AC2 | 0.8721 |
407 | 5F5 | 0.8720 |
408 | B55 | 0.8719 |
409 | IQ5 | 0.8718 |
410 | 4TU | 0.8715 |
411 | PQK | 0.8712 |
412 | 3LJ | 0.8710 |
413 | LL1 | 0.8709 |
414 | 1Z8 | 0.8709 |
415 | MYI | 0.8708 |
416 | CE2 | 0.8705 |
417 | DY5 | 0.8705 |
418 | 9FE | 0.8704 |
419 | 8S0 | 0.8704 |
420 | 89J | 0.8704 |
421 | 64E | 0.8704 |
422 | ABF | 0.8703 |
423 | 7ZC | 0.8701 |
424 | 3TJ | 0.8700 |
425 | LEL | 0.8696 |
426 | S0G | 0.8696 |
427 | SHG | 0.8695 |
428 | SLY | 0.8694 |
429 | U7E | 0.8694 |
430 | 9X5 | 0.8694 |
431 | S3C | 0.8693 |
432 | SLS | 0.8691 |
433 | 8IG | 0.8690 |
434 | NIY | 0.8688 |
435 | 5RO | 0.8688 |
436 | GI3 | 0.8687 |
437 | 535 | 0.8685 |
438 | LYL | 0.8685 |
439 | GI1 | 0.8684 |
440 | TNF | 0.8684 |
441 | EY7 | 0.8684 |
442 | 14W | 0.8684 |
443 | ZYR | 0.8682 |
444 | 8TX | 0.8682 |
445 | X6P | 0.8681 |
446 | SNG | 0.8681 |
447 | URC | 0.8680 |
448 | 692 | 0.8680 |
449 | A0O | 0.8678 |
450 | NGW | 0.8678 |
451 | G3F | 0.8678 |
452 | 28N | 0.8677 |
453 | 7L4 | 0.8677 |
454 | APZ | 0.8677 |
455 | GT0 | 0.8677 |
456 | 5WX | 0.8676 |
457 | 2FG | 0.8676 |
458 | 344 | 0.8675 |
459 | D07 | 0.8675 |
460 | PH2 | 0.8674 |
461 | THA | 0.8674 |
462 | HHR | 0.8674 |
463 | NPL | 0.8674 |
464 | A1Y | 0.8672 |
465 | VOH | 0.8672 |
466 | MB1 | 0.8671 |
467 | AS3 | 0.8671 |
468 | BNT | 0.8671 |
469 | 4VS | 0.8670 |
470 | BIE | 0.8670 |
471 | S7G | 0.8669 |
472 | DPZ | 0.8668 |
473 | FNA | 0.8665 |
474 | E35 | 0.8664 |
475 | 1SV | 0.8663 |
476 | DTE | 0.8662 |
477 | BZJ | 0.8662 |
478 | ZYV | 0.8660 |
479 | XQG | 0.8660 |
480 | N7I | 0.8657 |
481 | P84 | 0.8657 |
482 | F0J | 0.8656 |
483 | TWO | 0.8656 |
484 | XM5 | 0.8656 |
485 | AVA | 0.8654 |
486 | RH1 | 0.8654 |
487 | 5E4 | 0.8651 |
488 | I7B | 0.8651 |
489 | PD2 | 0.8651 |
490 | KDO | 0.8651 |
491 | GF4 | 0.8650 |
492 | A2G | 0.8649 |
493 | KYN | 0.8648 |
494 | 8G0 | 0.8648 |
495 | GSY | 0.8647 |
496 | GTR | 0.8647 |
497 | CLZ | 0.8646 |
498 | 0XT | 0.8645 |
499 | GLT | 0.8642 |
500 | 1F1 | 0.8641 |
501 | JB8 | 0.8641 |
502 | DX3 | 0.8640 |
503 | N2I | 0.8640 |
504 | BOQ | 0.8638 |
505 | BPY | 0.8637 |
506 | M2K | 0.8636 |
507 | H7S | 0.8635 |
508 | 5NI | 0.8635 |
509 | 9LI | 0.8634 |
510 | 7NI | 0.8633 |
511 | ROI | 0.8630 |
512 | 4NO | 0.8629 |
513 | 4HC | 0.8629 |
514 | DI6 | 0.8628 |
515 | GFP | 0.8627 |
516 | INE | 0.8625 |
517 | DHK | 0.8625 |
518 | HQD | 0.8625 |
519 | FWD | 0.8625 |
520 | 4B0 | 0.8622 |
521 | P7Y | 0.8622 |
522 | DHY | 0.8621 |
523 | M1Q | 0.8618 |
524 | DJN | 0.8616 |
525 | GHM | 0.8616 |
526 | 982 | 0.8616 |
527 | TTY | 0.8612 |
528 | 8U3 | 0.8611 |
529 | HKD | 0.8610 |
530 | OTD | 0.8609 |
531 | 8VN | 0.8607 |
532 | A7W | 0.8605 |
533 | QSH | 0.8604 |
534 | AA | 0.8602 |
535 | 44V | 0.8602 |
536 | 75K | 0.8600 |
537 | JUO | 0.8600 |
538 | AQO | 0.8599 |
539 | RB2 | 0.8598 |
540 | MT8 | 0.8597 |
541 | K37 | 0.8595 |
542 | LOG | 0.8594 |
543 | 463 | 0.8592 |
544 | 2EC | 0.8592 |
545 | NGA | 0.8591 |
546 | GL1 | 0.8590 |
547 | MAJ | 0.8590 |
548 | KIB | 0.8590 |
549 | FE DB1 | 0.8590 |
550 | DQA | 0.8586 |
551 | BZE | 0.8586 |
552 | ADA | 0.8584 |
553 | GRX | 0.8583 |
554 | FUJ | 0.8582 |
555 | LT8 | 0.8580 |
556 | MEW | 0.8580 |
557 | J9W | 0.8578 |
558 | TU0 | 0.8577 |
559 | B2J | 0.8577 |
560 | LZM | 0.8576 |
561 | CKX | 0.8569 |
562 | MR1 | 0.8569 |
563 | 6NI | 0.8566 |
564 | 549 | 0.8564 |
565 | MBG | 0.8562 |
566 | C2U | 0.8560 |
567 | M5K | 0.8560 |
568 | 12B | 0.8560 |
569 | 2KA | 0.8557 |
570 | BTY | 0.8554 |
571 | IV2 | 0.8552 |
572 | PE0 | 0.8549 |
573 | VK3 | 0.8546 |
574 | 42A | 0.8544 |
575 | HBI | 0.8543 |
576 | B52 | 0.8543 |
577 | CWJ | 0.8534 |
578 | AJ2 | 0.8530 |
579 | 0GY | 0.8515 |
580 | 39U | 0.8512 |
581 | 11G | 0.8510 |
This union binding pocket(no: 1) in the query (biounit: 4yc0.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5YSI | NCA | 4.60526 |