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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 1 families. | |||||
1 | 2VFT | - | SOR | C6 H14 O6 | C([C@@H]([.... |
2 | 2VFS | - | XYL | C5 H12 O5 | C([C@@H](C.... |
3 | 2VFU | - | MTL | C6 H14 O6 | C([C@H]([C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2VFT | - | SOR | C6 H14 O6 | C([C@@H]([.... |
2 | 2VFS | - | XYL | C5 H12 O5 | C([C@@H](C.... |
3 | 2VFU | - | MTL | C6 H14 O6 | C([C@H]([C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SOR | 1 | 1 |
2 | MTL | 1 | 1 |
3 | RB0 | 0.625 | 0.954545 |
4 | XYL | 0.625 | 0.954545 |
5 | RNT | 0.6 | 0.909091 |
6 | FOC | 0.6 | 0.909091 |
7 | DNO | 0.565217 | 0.909091 |
8 | 3BU | 0.565217 | 0.909091 |
9 | GLO | 0.565217 | 0.909091 |
10 | AOS | 0.565217 | 0.909091 |
11 | MRY | 0.533333 | 0.954545 |
12 | DTL | 0.533333 | 0.954545 |
13 | 03W | 0.5 | 0.826087 |
14 | GCO | 0.48 | 0.869565 |
15 | CS2 | 0.48 | 0.869565 |
16 | S6P | 0.464286 | 0.636364 |
17 | MMN | 0.428571 | 0.617647 |
18 | RB5 | 0.416667 | 0.909091 |
19 | ROR | 0.416667 | 0.909091 |
20 | XLS | 0.416667 | 0.909091 |
21 | GOL | 0.4 | 0.904762 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | FUD | 0.9940 |
2 | FIX | 0.9572 |
3 | SOL | 0.9513 |
4 | LPK | 0.9450 |
5 | LFC | 0.9391 |
6 | KDG | 0.9381 |
7 | RAT | 0.9320 |
8 | 3MF | 0.9311 |
9 | XUL | 0.9285 |
10 | XYH | 0.9278 |
11 | REL | 0.9275 |
12 | GLU | 0.9263 |
13 | SDD | 0.9253 |
14 | PSJ | 0.9246 |
15 | TYL | 0.9237 |
16 | BHU | 0.9233 |
17 | TAR | 0.9232 |
18 | BNL | 0.9230 |
19 | SRT | 0.9226 |
20 | SMN | 0.9209 |
21 | GLN | 0.9208 |
22 | 4HP | 0.9203 |
23 | GVG | 0.9199 |
24 | RNS | 0.9197 |
25 | M4T | 0.9191 |
26 | 9RW | 0.9191 |
27 | TYR | 0.9189 |
28 | TAG | 0.9185 |
29 | 9J3 | 0.9185 |
30 | EHM | 0.9179 |
31 | 5FX | 0.9178 |
32 | AHB | 0.9172 |
33 | HYA | 0.9169 |
34 | 173 | 0.9158 |
35 | LNO | 0.9157 |
36 | LMR | 0.9151 |
37 | SKJ | 0.9145 |
38 | TYE | 0.9143 |
39 | RBL | 0.9139 |
40 | AEG | 0.9126 |
41 | PZI | 0.9116 |
42 | 1H1 | 0.9114 |
43 | NCT | 0.9112 |
44 | KMH | 0.9111 |
45 | LNR | 0.9108 |
46 | AMH | 0.9106 |
47 | LEU | 0.9103 |
48 | 8OZ | 0.9101 |
49 | 13P | 0.9099 |
50 | 2AS | 0.9094 |
51 | GGL | 0.9093 |
52 | 2IT | 0.9093 |
53 | B40 | 0.9090 |
54 | PHE | 0.9085 |
55 | MSR | 0.9081 |
56 | PMF | 0.9081 |
57 | ANN | 0.9080 |
58 | AKG | 0.9078 |
59 | ALA ALA | 0.9076 |
60 | HHH | 0.9076 |
61 | J9N | 0.9076 |
62 | PNZ | 0.9074 |
63 | 5XC | 0.9073 |
64 | NFM | 0.9069 |
65 | 9ON | 0.9068 |
66 | AL0 | 0.9065 |
67 | HNK | 0.9065 |
68 | 23J | 0.9061 |
69 | MLT | 0.9059 |
70 | RMN | 0.9058 |
71 | TSU | 0.9056 |
72 | CH9 | 0.9054 |
73 | HIS | 0.9050 |
74 | E4P | 0.9047 |
75 | DAL DAL | 0.9043 |
76 | PEP | 0.9040 |
77 | SD4 | 0.9039 |
78 | 5LA | 0.9038 |
79 | ASP | 0.9037 |
80 | LDP | 0.9034 |
81 | 3PG | 0.9031 |
82 | HX4 | 0.9030 |
83 | CPZ | 0.9029 |
84 | BZ2 | 0.9028 |
85 | 7VP | 0.9023 |
86 | ISZ | 0.9022 |
87 | J6W | 0.9022 |
88 | 6FZ | 0.9021 |
89 | TT4 | 0.9021 |
90 | IFP | 0.9019 |
91 | TPO | 0.9018 |
92 | OHP | 0.9018 |
93 | HSO | 0.9015 |
94 | QUS | 0.9013 |
95 | 1M2 | 0.9012 |
96 | HMS | 0.9011 |
97 | 152 | 0.9010 |
98 | GZL | 0.9010 |
99 | 1WC | 0.9009 |
100 | 41K | 0.9007 |
101 | PLU | 0.9006 |
102 | OSE | 0.9005 |
103 | SYM | 0.9004 |
104 | HL4 | 0.9004 |
105 | X0V | 0.9001 |
106 | GWM | 0.9000 |
107 | SNU | 0.8999 |
108 | GRO | 0.8996 |
109 | A29 | 0.8994 |
110 | SEP | 0.8992 |
111 | Q9Z | 0.8986 |
112 | PH3 | 0.8986 |
113 | MAH | 0.8986 |
114 | CUW | 0.8985 |
115 | CXP | 0.8985 |
116 | 5NI | 0.8984 |
117 | SAN | 0.8983 |
118 | G3P | 0.8983 |
119 | 3C4 | 0.8982 |
120 | 92K | 0.8981 |
121 | OTR | 0.8980 |
122 | PPY | 0.8979 |
123 | 56D | 0.8978 |
124 | L99 | 0.8978 |
125 | 8EW | 0.8975 |
126 | HDL | 0.8973 |
127 | 3SL | 0.8971 |
128 | 7BC | 0.8970 |
129 | DIR | 0.8968 |
130 | ONL | 0.8966 |
131 | BHO | 0.8966 |
132 | E1P | 0.8965 |
133 | I4B | 0.8965 |
134 | HPS | 0.8964 |
135 | 3LR | 0.8964 |
136 | DLY | 0.8963 |
137 | GLR | 0.8961 |
138 | SSB | 0.8961 |
139 | I1E | 0.8961 |
140 | DE5 | 0.8959 |
141 | 3YP | 0.8958 |
142 | 5VL | 0.8957 |
143 | FCR | 0.8957 |
144 | S2P | 0.8956 |
145 | X1R | 0.8954 |
146 | 2QC | 0.8952 |
147 | A5E | 0.8952 |
148 | APG | 0.8952 |
149 | LYS | 0.8951 |
150 | LUQ | 0.8949 |
151 | TIH | 0.8948 |
152 | AOT | 0.8948 |
153 | 1A7 | 0.8947 |
154 | GP9 | 0.8947 |
155 | EN1 | 0.8947 |
156 | 61M | 0.8946 |
157 | ENO | 0.8943 |
158 | 2D8 | 0.8941 |
159 | HL5 | 0.8941 |
160 | QY9 | 0.8940 |
161 | 0V5 | 0.8940 |
162 | AG2 | 0.8939 |
163 | K7M | 0.8938 |
164 | OGA | 0.8938 |
165 | NIZ | 0.8938 |
166 | OAA | 0.8936 |
167 | FA1 | 0.8936 |
168 | 1FD | 0.8935 |
169 | F4E | 0.8935 |
170 | HIC | 0.8934 |
171 | 2BG | 0.8933 |
172 | M5E | 0.8933 |
173 | 3QM | 0.8932 |
174 | SNO | 0.8932 |
175 | RNO | 0.8932 |
176 | DEW | 0.8930 |
177 | PFF | 0.8929 |
178 | THE | 0.8929 |
179 | 6NT | 0.8929 |
180 | TYC | 0.8928 |
181 | R9S | 0.8927 |
182 | 9SE | 0.8926 |
183 | HNL | 0.8926 |
184 | AMS | 0.8926 |
185 | PGH | 0.8926 |
186 | S24 | 0.8925 |
187 | A3M | 0.8924 |
188 | 50C | 0.8922 |
189 | ICB | 0.8921 |
190 | 4BY | 0.8919 |
191 | BNF | 0.8918 |
192 | 3ZB | 0.8918 |
193 | M3H | 0.8917 |
194 | AHC | 0.8916 |
195 | LGT | 0.8914 |
196 | 1F1 | 0.8913 |
197 | K34 | 0.8913 |
198 | NPO | 0.8913 |
199 | L13 | 0.8913 |
200 | HPP | 0.8913 |
201 | MEQ | 0.8911 |
202 | IOM | 0.8910 |
203 | B3M | 0.8909 |
204 | 6JN | 0.8908 |
205 | PKU | 0.8908 |
206 | C53 | 0.8905 |
207 | GJZ | 0.8904 |
208 | M4S | 0.8904 |
209 | ASN | 0.8904 |
210 | RUJ | 0.8903 |
211 | FEH | 0.8903 |
212 | 3HP | 0.8903 |
213 | HDH | 0.8901 |
214 | G3H | 0.8900 |
215 | 2FT | 0.8900 |
216 | FOM | 0.8899 |
217 | LY0 | 0.8898 |
218 | QDK | 0.8898 |
219 | 36Y | 0.8898 |
220 | HCI | 0.8898 |
221 | HGA | 0.8897 |
222 | 2UB | 0.8896 |
223 | HFA | 0.8896 |
224 | 5XB | 0.8895 |
225 | 0QW | 0.8894 |
226 | DPN | 0.8894 |
227 | HNH | 0.8892 |
228 | Q07 | 0.8891 |
229 | 98J | 0.8890 |
230 | PPT | 0.8890 |
231 | PEQ | 0.8890 |
232 | 8SZ | 0.8889 |
233 | 0HN | 0.8888 |
234 | J0Z | 0.8886 |
235 | SME | 0.8886 |
236 | C1M | 0.8885 |
237 | AAS | 0.8884 |
238 | 86L | 0.8883 |
239 | RJY | 0.8883 |
240 | 9R5 | 0.8882 |
241 | KTA | 0.8881 |
242 | HPV | 0.8880 |
243 | LTL | 0.8880 |
244 | JDN | 0.8879 |
245 | 1Z6 | 0.8877 |
246 | B3U | 0.8877 |
247 | 7C3 | 0.8877 |
248 | PAC | 0.8877 |
249 | ORN | 0.8876 |
250 | 1GP | 0.8875 |
251 | PO6 | 0.8873 |
252 | N2I | 0.8872 |
253 | PJW | 0.8872 |
254 | DZA | 0.8872 |
255 | 42J | 0.8871 |
256 | 263 | 0.8871 |
257 | F4K | 0.8870 |
258 | GZQ | 0.8870 |
259 | XDE | 0.8868 |
260 | HC4 | 0.8866 |
261 | NFA | 0.8866 |
262 | O45 | 0.8866 |
263 | 4FA | 0.8865 |
264 | DXP | 0.8865 |
265 | SQ7 | 0.8862 |
266 | COI | 0.8861 |
267 | 4J8 | 0.8861 |
268 | E5X | 0.8861 |
269 | 36M | 0.8860 |
270 | KTJ | 0.8860 |
271 | BPW | 0.8860 |
272 | DHI | 0.8858 |
273 | UA5 | 0.8857 |
274 | 4BF | 0.8856 |
275 | SSC | 0.8855 |
276 | 4NM | 0.8855 |
277 | ALE | 0.8854 |
278 | FLC | 0.8854 |
279 | NLP | 0.8851 |
280 | I3E | 0.8850 |
281 | J9Q | 0.8850 |
282 | 4PN | 0.8849 |
283 | EGV | 0.8849 |
284 | AEF | 0.8849 |
285 | B85 | 0.8847 |
286 | N2Z | 0.8845 |
287 | GZ3 | 0.8845 |
288 | GO2 | 0.8845 |
289 | 80G | 0.8845 |
290 | ODO | 0.8844 |
291 | NLE | 0.8843 |
292 | 6KT | 0.8843 |
293 | S0W | 0.8841 |
294 | SAF | 0.8841 |
295 | F9P | 0.8841 |
296 | 4LW | 0.8840 |
297 | I38 | 0.8840 |
298 | 52C | 0.8836 |
299 | GUA | 0.8833 |
300 | PIM | 0.8832 |
301 | PHI | 0.8831 |
302 | M74 | 0.8831 |
303 | FBM | 0.8831 |
304 | HBU | 0.8830 |
305 | 94W | 0.8829 |
306 | 4LV | 0.8828 |
307 | JB8 | 0.8827 |
308 | HF2 | 0.8826 |
309 | 2AL | 0.8826 |
310 | MES | 0.8825 |
311 | OOG | 0.8823 |
312 | 2FY | 0.8823 |
313 | HBD | 0.8822 |
314 | XIZ | 0.8822 |
315 | N9J | 0.8822 |
316 | 7A8 | 0.8819 |
317 | 0A9 | 0.8818 |
318 | CIT | 0.8818 |
319 | SYC | 0.8817 |
320 | DC5 | 0.8816 |
321 | RBJ | 0.8815 |
322 | MEV | 0.8814 |
323 | TZF | 0.8813 |
324 | E0O | 0.8813 |
325 | AHN | 0.8813 |
326 | 1L5 | 0.8812 |
327 | DTY | 0.8812 |
328 | P81 | 0.8812 |
329 | B09 | 0.8811 |
330 | GBN | 0.8811 |
331 | DXG | 0.8810 |
332 | Q03 | 0.8810 |
333 | QMP | 0.8808 |
334 | M6H | 0.8808 |
335 | K6V | 0.8807 |
336 | 40E | 0.8806 |
337 | MUC | 0.8804 |
338 | E79 | 0.8804 |
339 | 3CR | 0.8803 |
340 | SDF | 0.8800 |
341 | XDK | 0.8800 |
342 | CHH | 0.8799 |
343 | BPN | 0.8798 |
344 | IXW | 0.8797 |
345 | FBS | 0.8797 |
346 | LLH | 0.8796 |
347 | DE3 | 0.8796 |
348 | 5OO | 0.8794 |
349 | MLE | 0.8794 |
350 | N6C | 0.8794 |
351 | RUY | 0.8793 |
352 | MS9 | 0.8793 |
353 | 3HG | 0.8789 |
354 | 8ZE | 0.8789 |
355 | 6C5 | 0.8788 |
356 | 0OC | 0.8788 |
357 | IOS | 0.8785 |
358 | 4SX | 0.8784 |
359 | T9G | 0.8784 |
360 | 4VY | 0.8783 |
361 | IP8 | 0.8782 |
362 | 5WZ | 0.8782 |
363 | 650 | 0.8781 |
364 | 88L | 0.8780 |
365 | KMT | 0.8780 |
366 | JF6 | 0.8779 |
367 | GAE | 0.8779 |
368 | FK8 | 0.8778 |
369 | GVY | 0.8778 |
370 | CFA | 0.8777 |
371 | S8V | 0.8777 |
372 | 5RP | 0.8774 |
373 | YI6 | 0.8773 |
374 | 2HG | 0.8773 |
375 | IZC | 0.8772 |
376 | DYT | 0.8772 |
377 | 6ZX | 0.8771 |
378 | IPB | 0.8771 |
379 | SPV | 0.8771 |
380 | DHC | 0.8770 |
381 | 8NB | 0.8770 |
382 | 46P | 0.8770 |
383 | DHY | 0.8770 |
384 | DER | 0.8770 |
385 | DDU | 0.8768 |
386 | EYV | 0.8768 |
387 | EPR | 0.8766 |
388 | 8U3 | 0.8764 |
389 | FF3 | 0.8764 |
390 | HJH | 0.8762 |
391 | DGL | 0.8761 |
392 | XQI | 0.8761 |
393 | OQC | 0.8760 |
394 | MAJ | 0.8759 |
395 | SHI | 0.8757 |
396 | OEG | 0.8756 |
397 | KBZ | 0.8755 |
398 | 4BZ | 0.8755 |
399 | 15N | 0.8755 |
400 | YRL | 0.8754 |
401 | 449 | 0.8753 |
402 | 258 | 0.8753 |
403 | 7UC | 0.8753 |
404 | BHH | 0.8753 |
405 | M45 | 0.8752 |
406 | Q06 | 0.8752 |
407 | 2BX | 0.8752 |
408 | 4NS | 0.8750 |
409 | Q02 | 0.8750 |
410 | 4NP | 0.8749 |
411 | GVM | 0.8747 |
412 | URQ | 0.8747 |
413 | SQV | 0.8747 |
414 | R9J | 0.8746 |
415 | PPR | 0.8746 |
416 | P58 | 0.8746 |
417 | EOU | 0.8746 |
418 | 9VZ | 0.8745 |
419 | FHC | 0.8744 |
420 | 0NX | 0.8744 |
421 | NF3 | 0.8744 |
422 | PJL | 0.8743 |
423 | KVP | 0.8743 |
424 | C82 | 0.8742 |
425 | 92G | 0.8741 |
426 | BRH | 0.8741 |
427 | VAH | 0.8738 |
428 | ACH | 0.8738 |
429 | 0JD | 0.8737 |
430 | DQA | 0.8737 |
431 | A7H | 0.8737 |
432 | TMG | 0.8735 |
433 | FMQ | 0.8735 |
434 | YOF | 0.8735 |
435 | 9YT | 0.8734 |
436 | C5A | 0.8729 |
437 | 11C | 0.8728 |
438 | PC | 0.8727 |
439 | S2G | 0.8727 |
440 | 54Z | 0.8727 |
441 | HXY | 0.8725 |
442 | DGN | 0.8724 |
443 | YPN | 0.8723 |
444 | GF4 | 0.8722 |
445 | 4JC | 0.8722 |
446 | GLY CYS | 0.8721 |
447 | 9RH | 0.8721 |
448 | PZM | 0.8720 |
449 | ISA | 0.8719 |
450 | PTU | 0.8718 |
451 | DII | 0.8716 |
452 | 4LR | 0.8715 |
453 | FA3 | 0.8714 |
454 | HG3 | 0.8711 |
455 | NLG | 0.8710 |
456 | A7N | 0.8708 |
457 | R67 | 0.8708 |
458 | BCU | 0.8705 |
459 | YTX | 0.8703 |
460 | TSR | 0.8702 |
461 | 1X4 | 0.8701 |
462 | 3VW | 0.8700 |
463 | CWJ | 0.8700 |
464 | PBA | 0.8699 |
465 | 3OM | 0.8698 |
466 | NAG | 0.8698 |
467 | DJN | 0.8697 |
468 | RES | 0.8697 |
469 | PRA | 0.8697 |
470 | KPA | 0.8694 |
471 | SNE | 0.8694 |
472 | GOJ | 0.8693 |
473 | AAN | 0.8691 |
474 | UN1 | 0.8690 |
475 | P7Y | 0.8690 |
476 | NOK | 0.8689 |
477 | XXP | 0.8688 |
478 | R2P | 0.8688 |
479 | ZGL | 0.8687 |
480 | 492 | 0.8686 |
481 | K82 | 0.8685 |
482 | 0VT | 0.8684 |
483 | 6HO | 0.8684 |
484 | N4B | 0.8683 |
485 | LZ5 | 0.8680 |
486 | MPJ | 0.8680 |
487 | AMQ | 0.8679 |
488 | URS | 0.8679 |
489 | SV4 | 0.8678 |
490 | F90 | 0.8674 |
491 | TNX | 0.8673 |
492 | DVQ | 0.8673 |
493 | 9GB | 0.8672 |
494 | 7MW | 0.8671 |
495 | 3MV | 0.8670 |
496 | HHT | 0.8670 |
497 | AH8 | 0.8666 |
498 | MET | 0.8664 |
499 | 2FX | 0.8663 |
500 | MMS | 0.8660 |
501 | 2CO | 0.8660 |
502 | IOP | 0.8657 |
503 | BM3 | 0.8657 |
504 | SG3 | 0.8656 |
505 | OKG | 0.8656 |
506 | DAH | 0.8654 |
507 | DHM | 0.8652 |
508 | FTV | 0.8652 |
509 | 4I8 | 0.8651 |
510 | K2T | 0.8649 |
511 | 268 | 0.8649 |
512 | JRB | 0.8649 |
513 | MP5 | 0.8648 |
514 | YIE | 0.8647 |
515 | 3OL | 0.8647 |
516 | MLZ | 0.8647 |
517 | 7QS | 0.8647 |
518 | XBT | 0.8647 |
519 | GDL | 0.8647 |
520 | LYN | 0.8645 |
521 | FZM | 0.8644 |
522 | 1BN | 0.8642 |
523 | RLG | 0.8642 |
524 | CCE | 0.8642 |
525 | L14 | 0.8636 |
526 | 7Q1 | 0.8636 |
527 | JZA | 0.8635 |
528 | IYR | 0.8634 |
529 | TRP | 0.8633 |
530 | Y4L | 0.8633 |
531 | MVH | 0.8631 |
532 | LTT | 0.8630 |
533 | LVD | 0.8629 |
534 | CCB | 0.8628 |
535 | S7J | 0.8628 |
536 | DUR | 0.8627 |
537 | M6W | 0.8626 |
538 | 1VK | 0.8625 |
539 | TZL | 0.8623 |
540 | URO | 0.8621 |
541 | 33S | 0.8618 |
542 | PBN | 0.8617 |
543 | R9M | 0.8617 |
544 | M44 | 0.8615 |
545 | 4RW | 0.8615 |
546 | GLY GLY GLY | 0.8613 |
547 | GPF | 0.8611 |
548 | X48 | 0.8610 |
549 | 54D | 0.8606 |
550 | LX1 | 0.8599 |
551 | PIY | 0.8597 |
552 | DS0 | 0.8596 |
553 | 3V4 | 0.8595 |
554 | KYN | 0.8593 |
555 | CLU | 0.8592 |
556 | HX8 | 0.8590 |
557 | CYX | 0.8590 |
558 | LT1 | 0.8587 |
559 | 9BF | 0.8584 |
560 | FBB | 0.8584 |
561 | CEE | 0.8583 |
562 | 2B4 | 0.8575 |
563 | SQ4 | 0.8571 |
564 | 363 | 0.8567 |
565 | P22 | 0.8565 |
566 | 1CO | 0.8563 |
567 | TZM | 0.8553 |
568 | 271 | 0.8552 |
569 | DHR | 0.8549 |
570 | ZBT | 0.8538 |
571 | S0E | 0.8531 |
572 | YF3 | 0.8528 |
573 | BSX | 0.8512 |
This union binding pocket(no: 1) in the query (biounit: 2vft.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |