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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 22 families. | |||||
1 | 2CER | Ki < 0.6 nM | PGI | C16 H21 N2 O4 | c1ccc(cc1).... |
2 | 5IXE | Kd = 2.3 mM | 14O | C8 H6 F N | c1cc2c(cc[.... |
3 | 4EAN | - | IND | C8 H7 N | c1ccc2c(c1.... |
4 | 1UWU | Ki = 1.04 uM | GOX | C6 H12 N2 O5 | C([C@@H]1[.... |
5 | 1UWT | Ki = 1.08 uM | GTL | C6 H12 N2 O5 | C([C@@H]1[.... |
6 | 2CEQ | Ki = 53 nM | GIM | C8 H13 N2 O4 | c1c[n+]2c(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 2CER | Ki < 0.6 nM | PGI | C16 H21 N2 O4 | c1ccc(cc1).... |
2 | 5IXE | Kd = 2.3 mM | 14O | C8 H6 F N | c1cc2c(cc[.... |
3 | 4EAN | - | IND | C8 H7 N | c1ccc2c(c1.... |
4 | 1UWU | Ki = 1.04 uM | GOX | C6 H12 N2 O5 | C([C@@H]1[.... |
5 | 1UWT | Ki = 1.08 uM | GTL | C6 H12 N2 O5 | C([C@@H]1[.... |
6 | 2CEQ | Ki = 53 nM | GIM | C8 H13 N2 O4 | c1c[n+]2c(.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GAL | 0.9729 |
2 | MBG | 0.9725 |
3 | 149 | 0.9631 |
4 | 2FG | 0.9630 |
5 | AMG | 0.9627 |
6 | GLA | 0.9624 |
7 | YIO | 0.9622 |
8 | GLC | 0.9603 |
9 | 2H5 | 0.9581 |
10 | 1GN | 0.9534 |
11 | GAF | 0.9510 |
12 | GTZ | 0.9495 |
13 | RM4 | 0.9460 |
14 | X6X | 0.9455 |
15 | GTR | 0.9451 |
16 | RNS | 0.9433 |
17 | FCB | 0.9400 |
18 | GCO | 0.9393 |
19 | FDK | 0.9361 |
20 | 15L | 0.9360 |
21 | LGC | 0.9344 |
22 | URC | 0.9332 |
23 | 7D2 | 0.9319 |
24 | BGC | 0.9312 |
25 | KIB | 0.9303 |
26 | FH2 | 0.9296 |
27 | FHN | 0.9288 |
28 | PSV | 0.9271 |
29 | 4HC | 0.9269 |
30 | GCS | 0.9253 |
31 | MFU | 0.9251 |
32 | BMA | 0.9239 |
33 | 7VJ | 0.9237 |
34 | EMZ | 0.9231 |
35 | WOO | 0.9230 |
36 | GCB | 0.9227 |
37 | 9DG | 0.9224 |
38 | V55 | 0.9223 |
39 | ALL | 0.9221 |
40 | G3F | 0.9219 |
41 | M1Q | 0.9218 |
42 | FUC | 0.9209 |
43 | PXL | 0.9204 |
44 | LFR | 0.9198 |
45 | DNC | 0.9197 |
46 | SR4 | 0.9196 |
47 | 7VS | 0.9190 |
48 | BDP | 0.9184 |
49 | MAN | 0.9182 |
50 | KIA | 0.9169 |
51 | 6VD | 0.9168 |
52 | 7WR | 0.9165 |
53 | GUN | 0.9164 |
54 | J9W | 0.9162 |
55 | 8S0 | 0.9160 |
56 | INS | 0.9159 |
57 | GT0 | 0.9154 |
58 | EVA | 0.9153 |
59 | ICO | 0.9152 |
60 | HQD | 0.9151 |
61 | NTZ | 0.9149 |
62 | AEZ | 0.9149 |
63 | LRH | 0.9149 |
64 | CTS | 0.9148 |
65 | 5WY | 0.9147 |
66 | PRZ | 0.9144 |
67 | 329 | 0.9144 |
68 | ADA | 0.9136 |
69 | Q6T | 0.9132 |
70 | IJZ | 0.9132 |
71 | 4ME | 0.9132 |
72 | GIM | 0.9130 |
73 | GCU | 0.9130 |
74 | SHG | 0.9127 |
75 | G6D | 0.9126 |
76 | XAN | 0.9124 |
77 | UAN | 0.9122 |
78 | AKH | 0.9120 |
79 | 2GS | 0.9119 |
80 | C2U | 0.9113 |
81 | FOT | 0.9109 |
82 | DIE | 0.9108 |
83 | 3MG | 0.9108 |
84 | 9MG | 0.9100 |
85 | DIU | 0.9100 |
86 | GIO | 0.9097 |
87 | AH8 | 0.9097 |
88 | 2ZQ | 0.9089 |
89 | GXL | 0.9087 |
90 | 7MH | 0.9083 |
91 | LSA | 0.9082 |
92 | T6C | 0.9078 |
93 | UEG | 0.9076 |
94 | IPZ | 0.9075 |
95 | GIV | 0.9074 |
96 | GDE | 0.9074 |
97 | 4M4 | 0.9072 |
98 | EUG | 0.9072 |
99 | DHK | 0.9071 |
100 | I3A | 0.9065 |
101 | 4HM | 0.9061 |
102 | SF6 | 0.9057 |
103 | M1E | 0.9054 |
104 | KBG | 0.9053 |
105 | 4XV | 0.9050 |
106 | I1N | 0.9049 |
107 | II6 | 0.9048 |
108 | NVU | 0.9046 |
109 | HLZ | 0.9046 |
110 | FUL | 0.9043 |
111 | 42C | 0.9040 |
112 | Q88 | 0.9035 |
113 | FCA | 0.9033 |
114 | HLD | 0.9033 |
115 | VNL | 0.9030 |
116 | NDM | 0.9030 |
117 | F0J | 0.9028 |
118 | PXM | 0.9027 |
119 | RPQ | 0.9020 |
120 | 7ZE | 0.9020 |
121 | 948 | 0.9016 |
122 | 25W | 0.9016 |
123 | PHT | 0.9012 |
124 | X09 | 0.9011 |
125 | NTM | 0.9009 |
126 | VOH | 0.9008 |
127 | QSH | 0.9004 |
128 | HZQ | 0.9003 |
129 | SFU | 0.9003 |
130 | 5WX | 0.9003 |
131 | VK3 | 0.9002 |
132 | Q24 | 0.9001 |
133 | 7HQ | 0.8999 |
134 | NOJ | 0.8998 |
135 | MMA | 0.8995 |
136 | FE DB1 | 0.8995 |
137 | B55 | 0.8995 |
138 | LKA | 0.8994 |
139 | ZWZ | 0.8989 |
140 | MT0 | 0.8989 |
141 | D07 | 0.8987 |
142 | 9PY | 0.8986 |
143 | HH5 | 0.8984 |
144 | INE | 0.8983 |
145 | B57 | 0.8982 |
146 | XXR | 0.8981 |
147 | M0W | 0.8981 |
148 | 12B | 0.8981 |
149 | HJP | 0.8980 |
150 | ZZ3 | 0.8980 |
151 | DRL | 0.8979 |
152 | RAM | 0.8978 |
153 | AIN | 0.8976 |
154 | FA3 | 0.8976 |
155 | 4RW | 0.8975 |
156 | UNC | 0.8975 |
157 | B53 | 0.8974 |
158 | 6LW | 0.8974 |
159 | NCD | 0.8973 |
160 | DGJ | 0.8972 |
161 | AOS | 0.8971 |
162 | GOG | 0.8970 |
163 | H6B | 0.8969 |
164 | QPR | 0.8968 |
165 | JTH | 0.8968 |
166 | ORO | 0.8966 |
167 | V6F | 0.8965 |
168 | DQA | 0.8964 |
169 | IF7 | 0.8960 |
170 | 495 | 0.8960 |
171 | OXC | 0.8958 |
172 | 680 | 0.8957 |
173 | EXO | 0.8954 |
174 | ABE | 0.8952 |
175 | 0GZ | 0.8951 |
176 | MVL | 0.8950 |
177 | JIF | 0.8945 |
178 | MO8 | 0.8945 |
179 | GYP | 0.8944 |
180 | 5RO | 0.8944 |
181 | 3Z7 | 0.8943 |
182 | TBP | 0.8940 |
183 | 4XS | 0.8934 |
184 | AZA | 0.8934 |
185 | XAZ | 0.8934 |
186 | SF9 | 0.8931 |
187 | FA6 | 0.8930 |
188 | PFB | 0.8929 |
189 | DIG | 0.8928 |
190 | 290 | 0.8928 |
191 | G4D | 0.8927 |
192 | YSO | 0.8927 |
193 | HA7 | 0.8925 |
194 | B62 | 0.8923 |
195 | 0CU | 0.8918 |
196 | FP1 | 0.8917 |
197 | SOE | 0.8917 |
198 | 6AP | 0.8917 |
199 | 5M0 | 0.8914 |
200 | 3F0 | 0.8913 |
201 | AEH | 0.8912 |
202 | 39U | 0.8912 |
203 | QAS | 0.8910 |
204 | 3DO | 0.8910 |
205 | 1XM | 0.8909 |
206 | SRO | 0.8908 |
207 | 35C | 0.8907 |
208 | GLT | 0.8906 |
209 | OA3 | 0.8906 |
210 | 5RG | 0.8905 |
211 | UFO | 0.8902 |
212 | YH7 | 0.8902 |
213 | ASC | 0.8902 |
214 | G5V | 0.8901 |
215 | 3IT | 0.8901 |
216 | SKM | 0.8900 |
217 | F31 | 0.8899 |
218 | APZ | 0.8898 |
219 | BOA | 0.8898 |
220 | 54G | 0.8897 |
221 | TEP | 0.8897 |
222 | PE0 | 0.8897 |
223 | FDB | 0.8896 |
224 | ZZ8 | 0.8896 |
225 | 9TZ | 0.8895 |
226 | IGA | 0.8894 |
227 | CBF | 0.8894 |
228 | X05 | 0.8893 |
229 | EOL | 0.8893 |
230 | A2F | 0.8893 |
231 | JKZ | 0.8892 |
232 | 06B | 0.8892 |
233 | DX4 | 0.8890 |
234 | CIT | 0.8889 |
235 | DBJ | 0.8889 |
236 | 3R6 | 0.8888 |
237 | K3Q | 0.8888 |
238 | 34D | 0.8886 |
239 | 6GU | 0.8886 |
240 | 141 | 0.8886 |
241 | KLW | 0.8886 |
242 | MEW | 0.8885 |
243 | GLF | 0.8884 |
244 | 4PW | 0.8882 |
245 | 5JQ | 0.8882 |
246 | BTY | 0.8878 |
247 | AJ2 | 0.8878 |
248 | 8XQ | 0.8878 |
249 | NQ | 0.8877 |
250 | M1H | 0.8877 |
251 | GOO | 0.8875 |
252 | RXA | 0.8875 |
253 | XYS | 0.8875 |
254 | 0P6 | 0.8874 |
255 | HXX | 0.8874 |
256 | DOR | 0.8874 |
257 | M5K | 0.8870 |
258 | QBK | 0.8870 |
259 | KOJ | 0.8869 |
260 | 8GK | 0.8868 |
261 | GTQ | 0.8867 |
262 | 2D0 | 0.8866 |
263 | FSW | 0.8865 |
264 | 2A7 | 0.8865 |
265 | 12M | 0.8861 |
266 | 8VN | 0.8861 |
267 | 6CS | 0.8860 |
268 | 23J | 0.8860 |
269 | NGO | 0.8859 |
270 | DEE | 0.8859 |
271 | M0Q | 0.8858 |
272 | NDH | 0.8857 |
273 | 3DM | 0.8857 |
274 | AZG | 0.8856 |
275 | GCV | 0.8856 |
276 | PA1 | 0.8855 |
277 | BCP | 0.8852 |
278 | DHB | 0.8851 |
279 | DMJ | 0.8850 |
280 | SYA | 0.8850 |
281 | S76 | 0.8849 |
282 | AZ8 | 0.8849 |
283 | 3M0 | 0.8849 |
284 | TFU | 0.8848 |
285 | 4AA | 0.8848 |
286 | PSJ | 0.8842 |
287 | GV9 | 0.8842 |
288 | BDF | 0.8842 |
289 | IFL | 0.8840 |
290 | QIC | 0.8840 |
291 | 3MA | 0.8840 |
292 | 3XX | 0.8840 |
293 | DBH | 0.8839 |
294 | FRU | 0.8839 |
295 | 3MB | 0.8838 |
296 | ARA | 0.8838 |
297 | CFP | 0.8838 |
298 | 5MK | 0.8837 |
299 | MSN | 0.8836 |
300 | KJY | 0.8835 |
301 | JFD | 0.8835 |
302 | AQO | 0.8835 |
303 | 3HA | 0.8835 |
304 | AS3 | 0.8833 |
305 | EJZ | 0.8832 |
306 | D1X | 0.8830 |
307 | ISE | 0.8829 |
308 | BK9 | 0.8827 |
309 | 39A | 0.8826 |
310 | XQG | 0.8825 |
311 | ADE | 0.8825 |
312 | AUD | 0.8824 |
313 | G2F | 0.8824 |
314 | HNQ | 0.8823 |
315 | G1O | 0.8823 |
316 | DQN | 0.8823 |
317 | DZX | 0.8823 |
318 | 7NI | 0.8822 |
319 | 44V | 0.8820 |
320 | ARB | 0.8818 |
321 | ICT | 0.8817 |
322 | 2MN | 0.8815 |
323 | GZ8 | 0.8814 |
324 | R8S | 0.8813 |
325 | FUF | 0.8813 |
326 | SOR | 0.8810 |
327 | HPA | 0.8807 |
328 | FGZ | 0.8807 |
329 | FLC | 0.8805 |
330 | IPT | 0.8805 |
331 | 94B | 0.8804 |
332 | 1X7 | 0.8804 |
333 | 7HP | 0.8803 |
334 | GYE | 0.8803 |
335 | 4XR | 0.8803 |
336 | 1LQ | 0.8801 |
337 | HTP | 0.8800 |
338 | KDO | 0.8800 |
339 | Z5P | 0.8797 |
340 | SXS | 0.8796 |
341 | UFV | 0.8796 |
342 | RD4 | 0.8796 |
343 | DPZ | 0.8791 |
344 | 75K | 0.8789 |
345 | AFR | 0.8789 |
346 | BTE | 0.8788 |
347 | ASO | 0.8787 |
348 | M3S | 0.8787 |
349 | FBG | 0.8787 |
350 | KFH | 0.8786 |
351 | 8IG | 0.8780 |
352 | PYQ | 0.8780 |
353 | ADK | 0.8780 |
354 | BE2 | 0.8779 |
355 | 0MK | 0.8778 |
356 | IPM | 0.8777 |
357 | MHK | 0.8777 |
358 | ZB1 | 0.8776 |
359 | 3RK | 0.8776 |
360 | QAT | 0.8775 |
361 | OXZ | 0.8775 |
362 | 9FQ | 0.8773 |
363 | OVM | 0.8770 |
364 | AW5 | 0.8769 |
365 | N8P | 0.8768 |
366 | HDL | 0.8768 |
367 | TTY | 0.8767 |
368 | 8WT | 0.8766 |
369 | L7T | 0.8763 |
370 | G8M | 0.8763 |
371 | 60Q | 0.8762 |
372 | F69 | 0.8762 |
373 | IOS | 0.8762 |
374 | JZ3 | 0.8761 |
375 | CWM | 0.8760 |
376 | ES0 | 0.8759 |
377 | AHR | 0.8756 |
378 | 82I | 0.8754 |
379 | BNT | 0.8754 |
380 | MFB | 0.8753 |
381 | RIB | 0.8750 |
382 | LT8 | 0.8748 |
383 | 8VE | 0.8745 |
384 | CN0 | 0.8744 |
385 | 5NS | 0.8743 |
386 | 1XN | 0.8743 |
387 | LCN | 0.8741 |
388 | I6G | 0.8741 |
389 | IFM | 0.8740 |
390 | NID | 0.8739 |
391 | 6XI | 0.8738 |
392 | D3M | 0.8737 |
393 | CFF | 0.8736 |
394 | DBX | 0.8734 |
395 | MIG | 0.8731 |
396 | ISD | 0.8729 |
397 | 8CM | 0.8728 |
398 | CWS | 0.8728 |
399 | CKX | 0.8727 |
400 | 3C2 | 0.8725 |
401 | YQA | 0.8725 |
402 | EV0 | 0.8722 |
403 | ENL | 0.8722 |
404 | O2A | 0.8721 |
405 | XYP | 0.8718 |
406 | CTL | 0.8718 |
407 | SR1 | 0.8717 |
408 | 3C1 | 0.8715 |
409 | GIF | 0.8714 |
410 | EYK | 0.8713 |
411 | AGK | 0.8713 |
412 | 95Z | 0.8712 |
413 | JUG | 0.8711 |
414 | 1DW | 0.8711 |
415 | 2XX | 0.8710 |
416 | B0D | 0.8708 |
417 | HX3 | 0.8708 |
418 | HHA | 0.8707 |
419 | LZM | 0.8707 |
420 | H7Y | 0.8706 |
421 | 42A | 0.8705 |
422 | IV2 | 0.8704 |
423 | NOY | 0.8703 |
424 | IBF | 0.8702 |
425 | SYR | 0.8701 |
426 | 3C7 | 0.8701 |
427 | 5NE | 0.8700 |
428 | DFB | 0.8700 |
429 | 4MU | 0.8699 |
430 | 5QX | 0.8698 |
431 | B60 | 0.8697 |
432 | 2SX | 0.8696 |
433 | F5B | 0.8691 |
434 | 6KX | 0.8688 |
435 | XHP | 0.8688 |
436 | 3R9 | 0.8687 |
437 | MNM | 0.8687 |
438 | 6F0 | 0.8687 |
439 | KUF | 0.8686 |
440 | JKE | 0.8685 |
441 | F81 | 0.8685 |
442 | 23A | 0.8685 |
443 | ES1 | 0.8684 |
444 | NGT | 0.8682 |
445 | GNL | 0.8682 |
446 | M5N | 0.8682 |
447 | GCW | 0.8681 |
448 | NSG | 0.8676 |
449 | 24W | 0.8676 |
450 | 4XY | 0.8672 |
451 | 7B3 | 0.8671 |
452 | 5SG | 0.8670 |
453 | GM7 | 0.8670 |
454 | 2EC | 0.8670 |
455 | BP1 | 0.8669 |
456 | OW7 | 0.8665 |
457 | IBM | 0.8664 |
458 | H33 | 0.8663 |
459 | 4P0 | 0.8662 |
460 | 209 | 0.8659 |
461 | AZ9 | 0.8659 |
462 | 10L | 0.8658 |
463 | 293 | 0.8657 |
464 | ZVO | 0.8656 |
465 | K5W | 0.8653 |
466 | RNT | 0.8650 |
467 | E7Z | 0.8650 |
468 | GRE | 0.8649 |
469 | 5Q0 | 0.8649 |
470 | 7WA | 0.8648 |
471 | 1SQ | 0.8647 |
472 | 5WU | 0.8647 |
473 | 9HX | 0.8644 |
474 | SX1 | 0.8644 |
475 | 3BU | 0.8642 |
476 | DHS | 0.8641 |
477 | 0RN | 0.8640 |
478 | 9DA | 0.8640 |
479 | NBG | 0.8640 |
480 | HQY | 0.8639 |
481 | ES4 | 0.8637 |
482 | NFQ | 0.8637 |
483 | PRF | 0.8633 |
484 | REL | 0.8633 |
485 | 286 | 0.8633 |
486 | 6MP | 0.8632 |
487 | GJS | 0.8629 |
488 | 5IQ | 0.8628 |
489 | 4YS | 0.8627 |
490 | NK | 0.8625 |
491 | B2J | 0.8624 |
492 | H76 | 0.8622 |
493 | 0N7 | 0.8620 |
494 | VXX | 0.8619 |
495 | KT7 | 0.8615 |
496 | KGK | 0.8612 |
497 | TRA | 0.8612 |
498 | OTW | 0.8612 |
499 | A7W | 0.8608 |
500 | SWA | 0.8599 |
501 | MZB | 0.8590 |
502 | 9KT | 0.8589 |
503 | AZF | 0.8588 |
504 | YTB | 0.8587 |
505 | 3CU | 0.8586 |
506 | RIP | 0.8586 |
507 | 2ZV | 0.8585 |
508 | TRC | 0.8584 |
509 | IP0 | 0.8583 |
510 | KDF | 0.8582 |
511 | KP6 | 0.8580 |
512 | PM6 | 0.8580 |
513 | SJ5 | 0.8578 |
514 | 6M1 | 0.8568 |
515 | LYL | 0.8563 |
516 | 3GQ | 0.8551 |
517 | XQK | 0.8546 |
518 | TNF | 0.8541 |
519 | 1NP | 0.8540 |
520 | HHT | 0.8538 |
521 | 0FN | 0.8535 |
522 | ZXD | 0.8525 |
523 | DFU | 0.8520 |