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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 13 families. | |||||
1 | 3AKI | - | AH8 | C5 H9 N3 O4 | C([C@H]1[C.... |
2 | 3AKH | - | AHR AHR | n/a | n/a |
3 | 3AKG | - | AHR AHR | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 3AKI | - | AH8 | C5 H9 N3 O4 | C([C@H]1[C.... |
2 | 3AKH | - | AHR AHR | n/a | n/a |
3 | 3AKG | - | AHR AHR | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AH8 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 6LW | 0.9692 |
2 | V55 | 0.9640 |
3 | AHR | 0.9481 |
4 | LFR | 0.9431 |
5 | VNL | 0.9413 |
6 | PSV | 0.9397 |
7 | GYE | 0.9380 |
8 | 3DM | 0.9339 |
9 | BZ3 | 0.9335 |
10 | GZL | 0.9335 |
11 | 5OB | 0.9316 |
12 | 3XX | 0.9309 |
13 | SF9 | 0.9301 |
14 | OMD | 0.9293 |
15 | ASC | 0.9292 |
16 | EUG | 0.9290 |
17 | LRH | 0.9283 |
18 | 4HM | 0.9281 |
19 | F0J | 0.9277 |
20 | H7Y | 0.9272 |
21 | 0HO | 0.9270 |
22 | 4AA | 0.9260 |
23 | SF6 | 0.9244 |
24 | 3MB | 0.9238 |
25 | 7WR | 0.9236 |
26 | DNC | 0.9235 |
27 | UAN | 0.9234 |
28 | OVM | 0.9225 |
29 | DGJ | 0.9221 |
30 | OW4 | 0.9209 |
31 | MBG | 0.9208 |
32 | OW7 | 0.9206 |
33 | 32O | 0.9201 |
34 | LDP | 0.9201 |
35 | 0HN | 0.9198 |
36 | 5XC | 0.9196 |
37 | I3A | 0.9193 |
38 | 4M4 | 0.9191 |
39 | HQ9 | 0.9187 |
40 | G4D | 0.9187 |
41 | AOS | 0.9182 |
42 | VXX | 0.9182 |
43 | 3Z7 | 0.9175 |
44 | C2U | 0.9173 |
45 | OVP | 0.9173 |
46 | 8WO | 0.9171 |
47 | AX3 | 0.9170 |
48 | 7VJ | 0.9166 |
49 | 8TX | 0.9165 |
50 | F31 | 0.9165 |
51 | SRO | 0.9161 |
52 | VOH | 0.9159 |
53 | FHN | 0.9158 |
54 | EOL | 0.9152 |
55 | BGC | 0.9151 |
56 | 3R6 | 0.9151 |
57 | URC | 0.9147 |
58 | PDC | 0.9142 |
59 | FP1 | 0.9141 |
60 | 54G | 0.9137 |
61 | AEH | 0.9136 |
62 | ZZT | 0.9135 |
63 | 2LP | 0.9130 |
64 | TWO | 0.9127 |
65 | Z6J | 0.9127 |
66 | 7MU | 0.9125 |
67 | GTQ | 0.9124 |
68 | HX3 | 0.9122 |
69 | GLA | 0.9121 |
70 | 92P | 0.9121 |
71 | SR1 | 0.9118 |
72 | 069 | 0.9118 |
73 | ONR | 0.9118 |
74 | PRZ | 0.9115 |
75 | FUD | 0.9115 |
76 | 329 | 0.9114 |
77 | LGC | 0.9109 |
78 | FOT | 0.9108 |
79 | Q88 | 0.9107 |
80 | 2AL | 0.9102 |
81 | 8WT | 0.9102 |
82 | FUB | 0.9099 |
83 | H76 | 0.9098 |
84 | GTL | 0.9097 |
85 | INO | 0.9096 |
86 | 9MG | 0.9094 |
87 | PSJ | 0.9092 |
88 | DHB | 0.9092 |
89 | PD2 | 0.9091 |
90 | 261 | 0.9087 |
91 | DNF | 0.9084 |
92 | IHB | 0.9084 |
93 | 5RG | 0.9081 |
94 | F12 | 0.9078 |
95 | GDE | 0.9078 |
96 | 2A9 | 0.9078 |
97 | 9TZ | 0.9075 |
98 | 0FN | 0.9073 |
99 | GAL | 0.9072 |
100 | OVV | 0.9070 |
101 | FYU | 0.9070 |
102 | DHK | 0.9062 |
103 | KOJ | 0.9060 |
104 | 4AV | 0.9060 |
105 | MR1 | 0.9057 |
106 | 5M0 | 0.9057 |
107 | V6F | 0.9057 |
108 | FRU | 0.9055 |
109 | ICO | 0.9055 |
110 | GV9 | 0.9054 |
111 | SKM | 0.9051 |
112 | QSH | 0.9050 |
113 | HQJ | 0.9050 |
114 | IJZ | 0.9048 |
115 | 5GU | 0.9048 |
116 | 3BU | 0.9046 |
117 | CHB | 0.9043 |
118 | 5MK | 0.9040 |
119 | DIU | 0.9040 |
120 | HMU | 0.9032 |
121 | 9KH | 0.9031 |
122 | HJP | 0.9031 |
123 | C2Y | 0.9031 |
124 | 7VS | 0.9029 |
125 | 2BG | 0.9029 |
126 | GLF | 0.9026 |
127 | MYJ | 0.9025 |
128 | RD4 | 0.9023 |
129 | 93K | 0.9023 |
130 | FLC | 0.9021 |
131 | P9P | 0.9019 |
132 | 2HO | 0.9019 |
133 | 2GS | 0.9019 |
134 | L5V | 0.9018 |
135 | X6X | 0.9018 |
136 | GLC | 0.9017 |
137 | AS3 | 0.9016 |
138 | 4XR | 0.9013 |
139 | QIC | 0.9013 |
140 | ROR | 0.9011 |
141 | QSB | 0.9010 |
142 | CIT | 0.9008 |
143 | XYP | 0.9008 |
144 | NVU | 0.9007 |
145 | TSS | 0.9007 |
146 | GAB | 0.9007 |
147 | 3HB | 0.9007 |
148 | EV0 | 0.9005 |
149 | AOR | 0.9003 |
150 | 94B | 0.9002 |
151 | RIB | 0.9001 |
152 | 1X7 | 0.9001 |
153 | IF7 | 0.9000 |
154 | ADA | 0.9000 |
155 | 8S0 | 0.8999 |
156 | SC2 | 0.8999 |
157 | N8P | 0.8999 |
158 | T6C | 0.8997 |
159 | J9T | 0.8996 |
160 | 6ME | 0.8994 |
161 | 4NC | 0.8993 |
162 | YTX | 0.8991 |
163 | BK9 | 0.8991 |
164 | NFQ | 0.8989 |
165 | GCS | 0.8989 |
166 | HLD | 0.8989 |
167 | XX2 | 0.8987 |
168 | 4A5 | 0.8986 |
169 | YIO | 0.8983 |
170 | SHA | 0.8983 |
171 | FPK | 0.8982 |
172 | EMZ | 0.8980 |
173 | NIG | 0.8979 |
174 | 2FG | 0.8977 |
175 | ORO | 0.8977 |
176 | MAN | 0.8976 |
177 | IFM | 0.8975 |
178 | 5FX | 0.8974 |
179 | ARW | 0.8974 |
180 | SYV | 0.8973 |
181 | 5RN | 0.8973 |
182 | 9TW | 0.8972 |
183 | GOX | 0.8971 |
184 | GIV | 0.8970 |
185 | 6R8 | 0.8969 |
186 | RAT | 0.8964 |
187 | LPK | 0.8962 |
188 | II6 | 0.8960 |
189 | PA1 | 0.8959 |
190 | BMA | 0.8959 |
191 | DBH | 0.8959 |
192 | RNS | 0.8958 |
193 | M1E | 0.8958 |
194 | P4B | 0.8957 |
195 | 2TQ | 0.8956 |
196 | MFU | 0.8955 |
197 | 6CS | 0.8953 |
198 | PHT | 0.8953 |
199 | 3AB | 0.8953 |
200 | 9DG | 0.8952 |
201 | SDD | 0.8950 |
202 | RAM | 0.8946 |
203 | NTM | 0.8945 |
204 | 2H5 | 0.8944 |
205 | UEG | 0.8942 |
206 | KIB | 0.8942 |
207 | 24B | 0.8942 |
208 | R8S | 0.8939 |
209 | MA3 | 0.8939 |
210 | NOJ | 0.8939 |
211 | DOR | 0.8937 |
212 | VPR | 0.8937 |
213 | ICT | 0.8936 |
214 | ES0 | 0.8936 |
215 | 4XV | 0.8936 |
216 | GXL | 0.8933 |
217 | 42J | 0.8931 |
218 | 3R9 | 0.8930 |
219 | 53C | 0.8929 |
220 | CWM | 0.8928 |
221 | M0Q | 0.8927 |
222 | 4CS | 0.8926 |
223 | TBP | 0.8922 |
224 | 8VN | 0.8921 |
225 | 4ZC | 0.8920 |
226 | ZXD | 0.8919 |
227 | 7MH | 0.8919 |
228 | GAF | 0.8918 |
229 | 0GZ | 0.8918 |
230 | TSR | 0.8917 |
231 | DA4 | 0.8917 |
232 | 3BZ | 0.8917 |
233 | DMJ | 0.8915 |
234 | 463 | 0.8915 |
235 | 1AL | 0.8914 |
236 | LYL | 0.8914 |
237 | Q6T | 0.8914 |
238 | 42C | 0.8912 |
239 | XAN | 0.8912 |
240 | 2LY | 0.8911 |
241 | 3NT | 0.8911 |
242 | XLS | 0.8910 |
243 | OXC | 0.8910 |
244 | 4ME | 0.8910 |
245 | SVD | 0.8906 |
246 | KDF | 0.8906 |
247 | FE DB1 | 0.8906 |
248 | PFL | 0.8905 |
249 | MNM | 0.8902 |
250 | FUL | 0.8901 |
251 | XYL | 0.8900 |
252 | RB5 | 0.8900 |
253 | RB0 | 0.8900 |
254 | BDF | 0.8900 |
255 | AIN | 0.8899 |
256 | CUW | 0.8898 |
257 | NSP | 0.8897 |
258 | HHA | 0.8896 |
259 | JFJ | 0.8895 |
260 | ZZ3 | 0.8894 |
261 | WOO | 0.8894 |
262 | 1GN | 0.8893 |
263 | YQA | 0.8893 |
264 | B2J | 0.8892 |
265 | 3HA | 0.8892 |
266 | 7A2 | 0.8891 |
267 | 7HQ | 0.8891 |
268 | 3F0 | 0.8890 |
269 | 2FY | 0.8889 |
270 | IFL | 0.8888 |
271 | NMJ | 0.8887 |
272 | SOE | 0.8887 |
273 | GUN | 0.8885 |
274 | AKH | 0.8885 |
275 | XUL | 0.8883 |
276 | PZI | 0.8882 |
277 | LSA | 0.8881 |
278 | HA7 | 0.8881 |
279 | 4XS | 0.8878 |
280 | GT0 | 0.8878 |
281 | DPF | 0.8878 |
282 | GCO | 0.8877 |
283 | C2A | 0.8877 |
284 | 7WG | 0.8877 |
285 | 5NU | 0.8875 |
286 | 5HN | 0.8874 |
287 | HMQ | 0.8873 |
288 | 41K | 0.8871 |
289 | 3HP | 0.8871 |
290 | EXO | 0.8871 |
291 | FDK | 0.8870 |
292 | AN0 | 0.8869 |
293 | 3M0 | 0.8869 |
294 | LNR | 0.8868 |
295 | ZWZ | 0.8867 |
296 | 3DO | 0.8865 |
297 | SOR | 0.8862 |
298 | FH2 | 0.8862 |
299 | GLO | 0.8862 |
300 | RBL | 0.8859 |
301 | 149 | 0.8859 |
302 | BRT | 0.8857 |
303 | 8GC | 0.8856 |
304 | 293 | 0.8854 |
305 | PBE | 0.8854 |
306 | PXL | 0.8853 |
307 | CAX | 0.8853 |
308 | HIO | 0.8851 |
309 | QM1 | 0.8850 |
310 | KLW | 0.8850 |
311 | EPR | 0.8849 |
312 | TAR | 0.8848 |
313 | DIE | 0.8848 |
314 | ENL | 0.8847 |
315 | 2EC | 0.8847 |
316 | PRY | 0.8846 |
317 | 12M | 0.8846 |
318 | 95Z | 0.8846 |
319 | LLH | 0.8845 |
320 | NCD | 0.8843 |
321 | WCE | 0.8842 |
322 | ZZ8 | 0.8841 |
323 | 0W8 | 0.8840 |
324 | 4PW | 0.8839 |
325 | A29 | 0.8838 |
326 | D1X | 0.8838 |
327 | ALL | 0.8838 |
328 | OHP | 0.8837 |
329 | AGK | 0.8837 |
330 | CTL | 0.8834 |
331 | IUP | 0.8833 |
332 | LZM | 0.8832 |
333 | JTH | 0.8831 |
334 | MIG | 0.8830 |
335 | RM4 | 0.8829 |
336 | 8WQ | 0.8829 |
337 | DIG | 0.8828 |
338 | ADE | 0.8828 |
339 | CKU | 0.8827 |
340 | MWP | 0.8826 |
341 | G3F | 0.8826 |
342 | 9SE | 0.8826 |
343 | TRA | 0.8825 |
344 | ZB1 | 0.8825 |
345 | TAG | 0.8824 |
346 | NDH | 0.8823 |
347 | 948 | 0.8821 |
348 | 42A | 0.8821 |
349 | 7N0 | 0.8820 |
350 | SX1 | 0.8819 |
351 | IPZ | 0.8818 |
352 | MEV | 0.8817 |
353 | 3OC | 0.8816 |
354 | 3S6 | 0.8815 |
355 | JZ4 | 0.8812 |
356 | GM7 | 0.8812 |
357 | HYA | 0.8811 |
358 | 4TE | 0.8810 |
359 | IFP | 0.8809 |
360 | R1X | 0.8808 |
361 | GCU | 0.8808 |
362 | AW5 | 0.8806 |
363 | KP6 | 0.8805 |
364 | DPJ | 0.8805 |
365 | AZF | 0.8804 |
366 | 8G0 | 0.8801 |
367 | R8V | 0.8801 |
368 | JND | 0.8801 |
369 | JZ3 | 0.8799 |
370 | IMR | 0.8799 |
371 | FA6 | 0.8798 |
372 | SRT | 0.8798 |
373 | SHG | 0.8797 |
374 | 39U | 0.8797 |
375 | FUC | 0.8796 |
376 | 2A7 | 0.8795 |
377 | GIF | 0.8795 |
378 | MAH | 0.8792 |
379 | 3MG | 0.8790 |
380 | MMA | 0.8788 |
381 | R2B | 0.8788 |
382 | PXM | 0.8786 |
383 | G8M | 0.8786 |
384 | EDG | 0.8785 |
385 | M0W | 0.8783 |
386 | J9W | 0.8783 |
387 | B0D | 0.8781 |
388 | XAZ | 0.8781 |
389 | GNL | 0.8780 |
390 | GZ8 | 0.8779 |
391 | 2FT | 0.8778 |
392 | 82I | 0.8778 |
393 | QDK | 0.8776 |
394 | 4P0 | 0.8776 |
395 | 3IT | 0.8774 |
396 | G2F | 0.8773 |
397 | XQG | 0.8773 |
398 | DBJ | 0.8772 |
399 | KG1 | 0.8771 |
400 | OAA | 0.8771 |
401 | HXX | 0.8770 |
402 | AKG | 0.8770 |
403 | HLZ | 0.8770 |
404 | GTR | 0.8769 |
405 | ASO | 0.8769 |
406 | 2PG | 0.8767 |
407 | EYK | 0.8767 |
408 | DMO | 0.8766 |
409 | M1H | 0.8764 |
410 | 7D2 | 0.8763 |
411 | ASP | 0.8763 |
412 | 7A3 | 0.8755 |
413 | HPT | 0.8753 |
414 | SJ5 | 0.8753 |
415 | OXZ | 0.8753 |
416 | BSX | 0.8753 |
417 | 3CU | 0.8752 |
418 | TRC | 0.8751 |
419 | NNO | 0.8750 |
420 | AMG | 0.8750 |
421 | RNT | 0.8749 |
422 | S76 | 0.8748 |
423 | 7HP | 0.8747 |
424 | TLA | 0.8747 |
425 | MZM | 0.8747 |
426 | GYP | 0.8746 |
427 | FCB | 0.8746 |
428 | BDP | 0.8746 |
429 | SR4 | 0.8746 |
430 | 3C4 | 0.8746 |
431 | FGZ | 0.8745 |
432 | 4A3 | 0.8744 |
433 | B53 | 0.8744 |
434 | X1R | 0.8744 |
435 | KTA | 0.8742 |
436 | QBK | 0.8742 |
437 | 091 | 0.8739 |
438 | 3AL | 0.8737 |
439 | DEE | 0.8737 |
440 | 5WY | 0.8736 |
441 | QAS | 0.8736 |
442 | 3HM | 0.8736 |
443 | G6D | 0.8735 |
444 | FHB | 0.8734 |
445 | NOY | 0.8734 |
446 | 25W | 0.8732 |
447 | RIP | 0.8732 |
448 | B55 | 0.8728 |
449 | 2ZQ | 0.8726 |
450 | AI2 | 0.8725 |
451 | GIO | 0.8725 |
452 | DZX | 0.8722 |
453 | 15L | 0.8722 |
454 | MO8 | 0.8720 |
455 | UNC | 0.8719 |
456 | IPM | 0.8719 |
457 | SIF | 0.8719 |
458 | 14W | 0.8718 |
459 | SAL | 0.8717 |
460 | 2XX | 0.8715 |
461 | KIA | 0.8715 |
462 | DRL | 0.8715 |
463 | GJS | 0.8714 |
464 | 34D | 0.8712 |
465 | HPA | 0.8712 |
466 | DBX | 0.8712 |
467 | 23A | 0.8706 |
468 | 51R | 0.8706 |
469 | REL | 0.8706 |
470 | ISD | 0.8705 |
471 | 0LH | 0.8705 |
472 | SFU | 0.8702 |
473 | NSG | 0.8702 |
474 | 4MU | 0.8699 |
475 | DHY | 0.8698 |
476 | MCO | 0.8698 |
477 | 5WX | 0.8696 |
478 | A13 | 0.8695 |
479 | 75K | 0.8695 |
480 | R1P | 0.8695 |
481 | OKM | 0.8694 |
482 | 289 | 0.8693 |
483 | DHS | 0.8692 |
484 | NK | 0.8689 |
485 | Z5P | 0.8689 |
486 | 2DR | 0.8687 |
487 | NBG | 0.8687 |
488 | 4FH | 0.8686 |
489 | FCA | 0.8685 |
490 | 1LQ | 0.8685 |
491 | FUF | 0.8685 |
492 | GLT | 0.8684 |
493 | GCB | 0.8684 |
494 | TEN | 0.8684 |
495 | QAT | 0.8683 |
496 | 2AS | 0.8681 |
497 | 2D0 | 0.8679 |
498 | NLQ | 0.8679 |
499 | TTL | 0.8678 |
500 | KDO | 0.8676 |
501 | 6JN | 0.8676 |
502 | MLT | 0.8674 |
503 | JLZ | 0.8673 |
504 | KBB | 0.8673 |
505 | FSW | 0.8673 |
506 | 4WK | 0.8673 |
507 | CIZ | 0.8672 |
508 | X0V | 0.8671 |
509 | 2HC | 0.8671 |
510 | HY3 | 0.8669 |
511 | 3SK | 0.8667 |
512 | GTZ | 0.8666 |
513 | 92K | 0.8666 |
514 | MTL | 0.8666 |
515 | FPY | 0.8665 |
516 | MLE | 0.8663 |
517 | SXS | 0.8662 |
518 | XXR | 0.8662 |
519 | LFC | 0.8661 |
520 | BTY | 0.8657 |
521 | CTS | 0.8657 |
522 | OHJ | 0.8656 |
523 | 5JQ | 0.8656 |
524 | TFU | 0.8655 |
525 | LKA | 0.8655 |
526 | MFB | 0.8655 |
527 | 3S4 | 0.8654 |
528 | 1U6 | 0.8654 |
529 | 7UC | 0.8651 |
530 | HHT | 0.8651 |
531 | 1P7 | 0.8646 |
532 | 15A | 0.8646 |
533 | 6XI | 0.8644 |
534 | 1DW | 0.8644 |
535 | 8VE | 0.8644 |
536 | NLG | 0.8644 |
537 | X09 | 0.8640 |
538 | URF | 0.8640 |
539 | A7W | 0.8639 |
540 | AUD | 0.8639 |
541 | 5HY | 0.8638 |
542 | MUC | 0.8637 |
543 | 5ZZ | 0.8636 |
544 | 10L | 0.8636 |
545 | N8Y | 0.8635 |
546 | XCZ | 0.8633 |
547 | 4Z4 | 0.8633 |
548 | L3Q | 0.8631 |
549 | 1CO | 0.8629 |
550 | AFR | 0.8626 |
551 | CXF | 0.8625 |
552 | 7NI | 0.8624 |
553 | PEA | 0.8624 |
554 | N5J | 0.8622 |
555 | 51F | 0.8621 |
556 | MVL | 0.8620 |
557 | SOL | 0.8618 |
558 | P7Y | 0.8617 |
559 | HCA | 0.8616 |
560 | 61M | 0.8615 |
561 | 210 | 0.8613 |
562 | GLY PRO | 0.8613 |
563 | 5B1 | 0.8610 |
564 | SWA | 0.8609 |
565 | 1XN | 0.8609 |
566 | ECG | 0.8609 |
567 | 1SQ | 0.8603 |
568 | BCU | 0.8603 |
569 | BTE | 0.8602 |
570 | 2ED | 0.8602 |
571 | 5IQ | 0.8601 |
572 | 9DA | 0.8600 |
573 | X05 | 0.8599 |
574 | 2CL | 0.8598 |
575 | ASN | 0.8598 |
576 | MB1 | 0.8596 |
577 | 9HX | 0.8594 |
578 | DII | 0.8593 |
579 | N7P | 0.8592 |
580 | 4RW | 0.8592 |
581 | GJZ | 0.8588 |
582 | FIX | 0.8588 |
583 | 4NG | 0.8588 |
584 | INS | 0.8587 |
585 | MSN | 0.8583 |
586 | KUF | 0.8583 |
587 | 4XY | 0.8580 |
588 | 6AP | 0.8579 |
589 | BOA | 0.8578 |
590 | HJ7 | 0.8575 |
591 | KT7 | 0.8574 |
592 | M6N | 0.8564 |
593 | 24W | 0.8563 |
594 | YH7 | 0.8562 |
595 | AZA | 0.8561 |
596 | 6MP | 0.8560 |
597 | 7WA | 0.8560 |
598 | HDL | 0.8559 |
599 | DGL | 0.8558 |
600 | M2K | 0.8556 |
601 | BP1 | 0.8550 |
602 | J01 | 0.8548 |
603 | DMD | 0.8548 |
604 | A2F | 0.8545 |
605 | AHB | 0.8545 |
606 | 3ID | 0.8542 |
607 | DIN | 0.8534 |
608 | AZ8 | 0.8532 |
609 | 57O | 0.8524 |
610 | 8EZ | 0.8517 |
611 | GLN | 0.8515 |
This union binding pocket(no: 1) in the query (biounit: 3aki.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3aki.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3aki.bio1) has 8 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3aki.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |