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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 25 families. | |||||
1 | 2OCI | - | TYC | C9 H12 N2 O2 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 22 families. | |||||
1 | 2OCI | - | TYC | C9 H12 N2 O2 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TYC | 1 | 1 |
2 | TYR | 0.694444 | 0.78125 |
3 | DTY | 0.694444 | 0.78125 |
4 | AEG | 0.527778 | 0.625 |
5 | NFA | 0.526316 | 0.766667 |
6 | TYE | 0.487179 | 0.727273 |
7 | PFF | 0.44186 | 0.628571 |
8 | 485 | 0.42623 | 0.681818 |
9 | 3NF | 0.425532 | 0.75 |
10 | JGM | 0.42 | 0.697674 |
11 | GLY TYR | 0.42 | 0.725 |
12 | SER LYS TYR GLY LEU GLN ASP | 0.419355 | 0.681818 |
13 | 4BF | 0.409091 | 0.628571 |
14 | PHI | 0.409091 | 0.628571 |
15 | VAL TYR | 0.407407 | 0.763158 |
16 | MET ASN TYR ASP ILE | 0.40625 | 0.714286 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | EN1 | 0.9887 |
2 | ISA | 0.9860 |
3 | ENO | 0.9852 |
4 | HC4 | 0.9730 |
5 | PHE | 0.9719 |
6 | HPP | 0.9654 |
7 | DAH | 0.9652 |
8 | AHC | 0.9643 |
9 | YOF | 0.9642 |
10 | 0A1 | 0.9615 |
11 | HFA | 0.9609 |
12 | HWD | 0.9596 |
13 | 2UB | 0.9572 |
14 | BRH | 0.9572 |
15 | SOJ | 0.9570 |
16 | IYR | 0.9568 |
17 | S0W | 0.9513 |
18 | MMS | 0.9511 |
19 | PH3 | 0.9506 |
20 | HCI | 0.9491 |
21 | HXY | 0.9476 |
22 | EQW | 0.9473 |
23 | RQD | 0.9458 |
24 | C82 | 0.9456 |
25 | 4LW | 0.9456 |
26 | 4CF | 0.9455 |
27 | 0A9 | 0.9442 |
28 | R9J | 0.9441 |
29 | P81 | 0.9431 |
30 | DPN | 0.9424 |
31 | E0O | 0.9423 |
32 | PPT | 0.9410 |
33 | FHC | 0.9410 |
34 | F90 | 0.9401 |
35 | LVD | 0.9398 |
36 | M74 | 0.9376 |
37 | 50C | 0.9369 |
38 | 92G | 0.9362 |
39 | HIC | 0.9358 |
40 | PPY | 0.9354 |
41 | HNL | 0.9347 |
42 | 56D | 0.9340 |
43 | CWD | 0.9340 |
44 | TCA | 0.9338 |
45 | GT4 | 0.9335 |
46 | FWD | 0.9326 |
47 | 4FP | 0.9318 |
48 | DHC | 0.9315 |
49 | AOT | 0.9314 |
50 | TIH | 0.9312 |
51 | 2LT | 0.9304 |
52 | HJH | 0.9304 |
53 | B40 | 0.9303 |
54 | IWD | 0.9302 |
55 | B3U | 0.9302 |
56 | LO1 | 0.9300 |
57 | PMF | 0.9297 |
58 | FTV | 0.9296 |
59 | XIZ | 0.9295 |
60 | BPW | 0.9291 |
61 | BWD | 0.9284 |
62 | 33S | 0.9283 |
63 | 9B3 | 0.9269 |
64 | BNL | 0.9266 |
65 | PO6 | 0.9264 |
66 | HF2 | 0.9263 |
67 | GWM | 0.9258 |
68 | 4HP | 0.9258 |
69 | ALE | 0.9258 |
70 | S2P | 0.9252 |
71 | C53 | 0.9247 |
72 | B41 | 0.9244 |
73 | JGB | 0.9244 |
74 | 4LV | 0.9241 |
75 | CFA | 0.9239 |
76 | CPZ | 0.9235 |
77 | XCG | 0.9233 |
78 | IC9 | 0.9231 |
79 | TYL | 0.9229 |
80 | SHI | 0.9228 |
81 | MSR | 0.9224 |
82 | QIV | 0.9224 |
83 | HNH | 0.9222 |
84 | CXH | 0.9222 |
85 | UN1 | 0.9217 |
86 | ERZ | 0.9214 |
87 | HIS | 0.9209 |
88 | GVY | 0.9209 |
89 | A5E | 0.9203 |
90 | 363 | 0.9203 |
91 | IPO | 0.9199 |
92 | YPN | 0.9197 |
93 | GB5 | 0.9196 |
94 | M6H | 0.9195 |
95 | JZA | 0.9192 |
96 | 5OO | 0.9187 |
97 | P7Y | 0.9186 |
98 | K7M | 0.9185 |
99 | 80G | 0.9183 |
100 | 1Z6 | 0.9179 |
101 | PF1 | 0.9167 |
102 | YF3 | 0.9163 |
103 | FZM | 0.9159 |
104 | N9J | 0.9158 |
105 | HNK | 0.9144 |
106 | DDU | 0.9144 |
107 | HX4 | 0.9142 |
108 | 2B4 | 0.9139 |
109 | QH3 | 0.9132 |
110 | RLG | 0.9131 |
111 | S0D | 0.9131 |
112 | 36Y | 0.9130 |
113 | TMG | 0.9127 |
114 | 2QC | 0.9125 |
115 | Y4L | 0.9121 |
116 | NFM | 0.9118 |
117 | DHI | 0.9117 |
118 | PBA | 0.9117 |
119 | 4Z9 | 0.9116 |
120 | J4K | 0.9115 |
121 | 6SD | 0.9114 |
122 | TRP | 0.9113 |
123 | MES | 0.9108 |
124 | K80 | 0.9096 |
125 | FPL | 0.9094 |
126 | TOH | 0.9094 |
127 | 7UZ | 0.9091 |
128 | 7N8 | 0.9086 |
129 | F4K | 0.9086 |
130 | HHH | 0.9085 |
131 | ZEC | 0.9084 |
132 | AMQ | 0.9083 |
133 | 1PS | 0.9078 |
134 | 61M | 0.9077 |
135 | FK8 | 0.9076 |
136 | 0NX | 0.9075 |
137 | F06 | 0.9074 |
138 | E4P | 0.9073 |
139 | 4AF | 0.9070 |
140 | TB8 | 0.9068 |
141 | 6ZX | 0.9067 |
142 | 8U3 | 0.9067 |
143 | OOG | 0.9067 |
144 | ARG | 0.9063 |
145 | 11X | 0.9062 |
146 | 54E | 0.9061 |
147 | HL4 | 0.9061 |
148 | FMQ | 0.9061 |
149 | SOR | 0.9058 |
150 | HX8 | 0.9056 |
151 | CXP | 0.9054 |
152 | 6J5 | 0.9054 |
153 | B85 | 0.9054 |
154 | DYT | 0.9051 |
155 | DIR | 0.9047 |
156 | DTR | 0.9044 |
157 | SWX | 0.9043 |
158 | KYN | 0.9042 |
159 | JAH | 0.9039 |
160 | IAR | 0.9033 |
161 | ZZA | 0.9033 |
162 | QBM | 0.9029 |
163 | 3C4 | 0.9028 |
164 | 3VW | 0.9027 |
165 | C0H | 0.9025 |
166 | NCT | 0.9025 |
167 | MP5 | 0.9021 |
168 | TZF | 0.9017 |
169 | R2P | 0.9016 |
170 | X48 | 0.9016 |
171 | PRA | 0.9013 |
172 | YZM | 0.9013 |
173 | GGB | 0.9009 |
174 | THU | 0.9004 |
175 | DHY | 0.9003 |
176 | 2HC | 0.9002 |
177 | 1BN | 0.8999 |
178 | RVE | 0.8997 |
179 | API | 0.8996 |
180 | XRX | 0.8992 |
181 | GB4 | 0.8991 |
182 | M5E | 0.8991 |
183 | 3YP | 0.8991 |
184 | F52 | 0.8985 |
185 | UA5 | 0.8985 |
186 | I2E | 0.8985 |
187 | 9FH | 0.8983 |
188 | N2Y | 0.8982 |
189 | N4B | 0.8982 |
190 | P80 | 0.8978 |
191 | HHI | 0.8977 |
192 | GZ2 | 0.8976 |
193 | GNW | 0.8974 |
194 | HPS | 0.8972 |
195 | E3X | 0.8971 |
196 | 6KT | 0.8969 |
197 | 5O6 | 0.8968 |
198 | JBZ | 0.8967 |
199 | XDK | 0.8966 |
200 | BP7 | 0.8963 |
201 | PBN | 0.8963 |
202 | 36M | 0.8962 |
203 | IOP | 0.8960 |
204 | AAN | 0.8959 |
205 | CTE | 0.8959 |
206 | AHN | 0.8956 |
207 | QUS | 0.8955 |
208 | C1M | 0.8954 |
209 | LTN | 0.8953 |
210 | LGT | 0.8952 |
211 | MJ5 | 0.8947 |
212 | PLP | 0.8945 |
213 | 2FX | 0.8944 |
214 | KDG | 0.8941 |
215 | 6P3 | 0.8941 |
216 | PIM | 0.8938 |
217 | A51 | 0.8938 |
218 | 7R4 | 0.8938 |
219 | 3H2 | 0.8937 |
220 | 2BX | 0.8936 |
221 | 3QO | 0.8935 |
222 | 3QM | 0.8935 |
223 | 1A7 | 0.8934 |
224 | 9VQ | 0.8933 |
225 | S0F | 0.8931 |
226 | MTL | 0.8928 |
227 | 6FZ | 0.8927 |
228 | OTR | 0.8926 |
229 | 5WZ | 0.8924 |
230 | BPY | 0.8924 |
231 | BVS | 0.8921 |
232 | CK2 | 0.8920 |
233 | Q9Z | 0.8920 |
234 | D1Y | 0.8920 |
235 | HSO | 0.8919 |
236 | GLR | 0.8917 |
237 | 4XF | 0.8916 |
238 | ICB | 0.8916 |
239 | FER | 0.8913 |
240 | 4FE | 0.8910 |
241 | OHJ | 0.8909 |
242 | BNF | 0.8909 |
243 | M72 | 0.8908 |
244 | 5TO | 0.8907 |
245 | LT1 | 0.8906 |
246 | 833 | 0.8906 |
247 | Z70 | 0.8905 |
248 | 4TB | 0.8904 |
249 | 1L5 | 0.8903 |
250 | LLH | 0.8901 |
251 | VC3 | 0.8901 |
252 | KTJ | 0.8899 |
253 | LL2 | 0.8896 |
254 | 8OB | 0.8894 |
255 | 0UL | 0.8893 |
256 | F4E | 0.8893 |
257 | EYJ | 0.8893 |
258 | 4I8 | 0.8891 |
259 | RA7 | 0.8890 |
260 | 2PV | 0.8887 |
261 | CH8 | 0.8887 |
262 | KLS | 0.8884 |
263 | 9FG | 0.8882 |
264 | RP3 | 0.8881 |
265 | DXG | 0.8881 |
266 | AMR | 0.8880 |
267 | Q04 | 0.8879 |
268 | XI7 | 0.8879 |
269 | 1VK | 0.8879 |
270 | 4PN | 0.8878 |
271 | BTM | 0.8878 |
272 | PQS | 0.8877 |
273 | G14 | 0.8876 |
274 | 4NP | 0.8876 |
275 | XRS | 0.8875 |
276 | PLR | 0.8874 |
277 | URO | 0.8874 |
278 | W29 | 0.8874 |
279 | 3IL | 0.8873 |
280 | 2PK | 0.8872 |
281 | 4BX | 0.8871 |
282 | 4OG | 0.8871 |
283 | 6HO | 0.8871 |
284 | 6C5 | 0.8869 |
285 | RBJ | 0.8867 |
286 | 4HB | 0.8866 |
287 | QME | 0.8866 |
288 | 9W5 | 0.8865 |
289 | 5VU | 0.8864 |
290 | LDP | 0.8859 |
291 | 68B | 0.8859 |
292 | LNR | 0.8858 |
293 | TZM | 0.8856 |
294 | PQM | 0.8855 |
295 | AWE | 0.8855 |
296 | 4ZD | 0.8855 |
297 | BZQ | 0.8852 |
298 | 1FD | 0.8850 |
299 | PTU | 0.8846 |
300 | AKG | 0.8846 |
301 | 3R4 | 0.8843 |
302 | ENG | 0.8840 |
303 | NAL | 0.8839 |
304 | 88L | 0.8837 |
305 | CTN | 0.8836 |
306 | L13 | 0.8836 |
307 | DEW | 0.8834 |
308 | 2FM | 0.8834 |
309 | JPQ | 0.8834 |
310 | 1X4 | 0.8831 |
311 | A7K | 0.8831 |
312 | CLU | 0.8831 |
313 | O45 | 0.8828 |
314 | 268 | 0.8827 |
315 | 3VX | 0.8825 |
316 | 650 | 0.8825 |
317 | 9BF | 0.8823 |
318 | 492 | 0.8822 |
319 | OA1 | 0.8821 |
320 | KF5 | 0.8821 |
321 | S24 | 0.8820 |
322 | CH9 | 0.8820 |
323 | 7VP | 0.8819 |
324 | MPV | 0.8819 |
325 | OJD | 0.8812 |
326 | 5LD | 0.8811 |
327 | BY5 | 0.8809 |
328 | EYV | 0.8809 |
329 | I4B | 0.8808 |
330 | 9JT | 0.8807 |
331 | EQA | 0.8805 |
332 | LSQ | 0.8801 |
333 | CS2 | 0.8800 |
334 | JRB | 0.8800 |
335 | ZIQ | 0.8800 |
336 | DZA | 0.8799 |
337 | AEF | 0.8798 |
338 | S7S | 0.8798 |
339 | 7O4 | 0.8797 |
340 | ABF | 0.8796 |
341 | DTE | 0.8796 |
342 | PNP | 0.8795 |
343 | DEZ | 0.8795 |
344 | Q06 | 0.8794 |
345 | IAC | 0.8793 |
346 | 4MP | 0.8790 |
347 | 4FA | 0.8787 |
348 | S3C | 0.8786 |
349 | YRL | 0.8783 |
350 | OGA | 0.8782 |
351 | 4Z1 | 0.8781 |
352 | 5S9 | 0.8781 |
353 | 5O5 | 0.8779 |
354 | 4NS | 0.8779 |
355 | IS2 | 0.8778 |
356 | A4N | 0.8778 |
357 | OQC | 0.8778 |
358 | 1KN | 0.8775 |
359 | EAT | 0.8775 |
360 | RES | 0.8774 |
361 | TR7 | 0.8771 |
362 | SB7 | 0.8767 |
363 | A7Q | 0.8764 |
364 | 0OL | 0.8763 |
365 | XK0 | 0.8761 |
366 | YIH | 0.8759 |
367 | SYE | 0.8758 |
368 | 5H6 | 0.8758 |
369 | RP5 | 0.8758 |
370 | PPN | 0.8756 |
371 | LJ3 | 0.8755 |
372 | 263 | 0.8755 |
373 | DAR | 0.8754 |
374 | PLP PMP | 0.8753 |
375 | TZP | 0.8751 |
376 | ENW | 0.8749 |
377 | BL0 | 0.8748 |
378 | 3VQ | 0.8746 |
379 | E79 | 0.8746 |
380 | 26P | 0.8746 |
381 | KMY | 0.8745 |
382 | GAE | 0.8743 |
383 | BP3 | 0.8742 |
384 | JX7 | 0.8740 |
385 | 657 | 0.8738 |
386 | T03 | 0.8738 |
387 | MPK | 0.8737 |
388 | TSR | 0.8735 |
389 | 6MW | 0.8734 |
390 | PUE | 0.8733 |
391 | MUK | 0.8728 |
392 | LYS | 0.8728 |
393 | K4V | 0.8725 |
394 | KLE | 0.8721 |
395 | 5TT | 0.8720 |
396 | MF3 | 0.8720 |
397 | ODK | 0.8719 |
398 | GVA | 0.8718 |
399 | 0OO | 0.8718 |
400 | H4B | 0.8715 |
401 | 3W1 | 0.8715 |
402 | 5RP | 0.8714 |
403 | BQ2 | 0.8714 |
404 | 6C4 | 0.8713 |
405 | 9UL | 0.8712 |
406 | WV7 | 0.8711 |
407 | SBK | 0.8708 |
408 | SNV | 0.8707 |
409 | CC5 | 0.8707 |
410 | 42J | 0.8707 |
411 | 505 | 0.8706 |
412 | 2D2 | 0.8704 |
413 | LL1 | 0.8702 |
414 | HMS | 0.8701 |
415 | 8D6 | 0.8699 |
416 | 27K | 0.8696 |
417 | 5DS | 0.8694 |
418 | E9P | 0.8690 |
419 | SSB | 0.8687 |
420 | 0XR | 0.8687 |
421 | CIR | 0.8686 |
422 | H4E | 0.8684 |
423 | 5AD | 0.8682 |
424 | 86L | 0.8682 |
425 | MLZ | 0.8681 |
426 | MXD | 0.8681 |
427 | GLY GLY GLY | 0.8678 |
428 | 258 | 0.8676 |
429 | 7MW | 0.8675 |
430 | 1BW | 0.8673 |
431 | EUH | 0.8672 |
432 | 795 | 0.8669 |
433 | PHU | 0.8667 |
434 | ZZU | 0.8666 |
435 | LR2 | 0.8666 |
436 | 9PL | 0.8661 |
437 | M5H | 0.8661 |
438 | ZON | 0.8660 |
439 | PQT | 0.8659 |
440 | 7ZL | 0.8658 |
441 | PMP | 0.8658 |
442 | K82 | 0.8658 |
443 | 2O8 | 0.8655 |
444 | C4E | 0.8655 |
445 | 6Q3 | 0.8653 |
446 | DXP | 0.8652 |
447 | PJL | 0.8650 |
448 | S7V | 0.8647 |
449 | 0OY | 0.8646 |
450 | NIY | 0.8645 |
451 | B1J | 0.8645 |
452 | 4MB | 0.8645 |
453 | DER | 0.8644 |
454 | JMG | 0.8643 |
455 | 7BC | 0.8636 |
456 | EYY | 0.8633 |
457 | YIP | 0.8633 |
458 | 5SP | 0.8633 |
459 | WCU | 0.8624 |
460 | HGA | 0.8624 |
461 | 6C9 | 0.8622 |
462 | 4TP | 0.8618 |
463 | 2JJ | 0.8617 |
464 | 3LR | 0.8615 |
465 | SV4 | 0.8612 |
466 | KPA | 0.8611 |
467 | LFC | 0.8610 |
468 | 0FR | 0.8608 |
469 | 5WN | 0.8608 |
470 | RNT | 0.8604 |
471 | 2HG | 0.8603 |
472 | A6H | 0.8598 |
473 | 7QS | 0.8596 |
474 | CK1 | 0.8592 |
475 | XDE | 0.8592 |
476 | 0BP | 0.8591 |
477 | S7A | 0.8590 |
478 | X04 | 0.8589 |
479 | 58X | 0.8585 |
480 | 8SZ | 0.8585 |
481 | YI6 | 0.8582 |
482 | LPK | 0.8582 |
483 | 2JX | 0.8580 |
484 | HJ8 | 0.8580 |
485 | 96Z | 0.8574 |
486 | NYL | 0.8572 |
487 | DNB | 0.8568 |
488 | TLM | 0.8556 |
489 | 8OE | 0.8556 |
490 | 78U | 0.8551 |
491 | M1T | 0.8549 |
492 | 2P3 | 0.8542 |
493 | 51Y | 0.8522 |
494 | LDC | 0.8520 |
495 | TOM | 0.8512 |
This union binding pocket(no: 1) in the query (biounit: 2oci.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |