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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 266 families. | |||||
1 | 1Y9Q | - | MED | C5 H11 N O2 S | CSCC[C@H](.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 1Y9Q | - | MED | C5 H11 N O2 S | CSCC[C@H](.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MED | 1 | 1 |
2 | MET | 1 | 1 |
3 | DBB | 0.518519 | 0.655172 |
4 | ABA | 0.518519 | 0.655172 |
5 | 2FM | 0.514286 | 0.666667 |
6 | MF3 | 0.5 | 0.647059 |
7 | NVA | 0.5 | 0.758621 |
8 | B3M | 0.472222 | 0.8125 |
9 | HSE | 0.466667 | 0.617647 |
10 | DAB | 0.466667 | 0.636364 |
11 | MHO | 0.457143 | 0.717949 |
12 | SME | 0.457143 | 0.717949 |
13 | HCS | 0.451613 | 0.733333 |
14 | API | 0.451613 | 0.606061 |
15 | CDT | 0.447368 | 0.756757 |
16 | 2MM | 0.444444 | 0.657143 |
17 | NLE | 0.441176 | 0.766667 |
18 | ONL | 0.441176 | 0.71875 |
19 | UN1 | 0.428571 | 0.606061 |
20 | 11C | 0.428571 | 0.606061 |
21 | MSE | 0.428571 | 0.9 |
22 | GLU | 0.424242 | 0.625 |
23 | GGL | 0.424242 | 0.625 |
24 | DGL | 0.424242 | 0.625 |
25 | CBH | 0.418605 | 0.685714 |
26 | ORN | 0.411765 | 0.65625 |
27 | AME | 0.410256 | 0.771429 |
28 | FME | 0.410256 | 0.84375 |
29 | LEU | 0.40625 | 0.666667 |
30 | CYS | 0.4 | 0.666667 |
31 | DCY | 0.4 | 0.666667 |
32 | C2N | 0.4 | 0.633333 |
33 | JM6 | 0.4 | 0.7 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | KMT | 0.9703 |
2 | AKG | 0.9615 |
3 | 2CO | 0.9608 |
4 | MD0 | 0.9522 |
5 | 2HG | 0.9486 |
6 | TZE | 0.9452 |
7 | OGA | 0.9441 |
8 | HL5 | 0.9428 |
9 | 9X7 | 0.9424 |
10 | HTX | 0.9402 |
11 | 7C3 | 0.9400 |
12 | PEL | 0.9394 |
13 | DLY | 0.9393 |
14 | GLN | 0.9393 |
15 | LYN | 0.9392 |
16 | LYS | 0.9389 |
17 | 6NA | 0.9387 |
18 | AL0 | 0.9382 |
19 | ASP | 0.9353 |
20 | DGN | 0.9339 |
21 | PEA | 0.9336 |
22 | SHO | 0.9322 |
23 | SHV | 0.9322 |
24 | MPJ | 0.9300 |
25 | URQ | 0.9294 |
26 | CEE | 0.9294 |
27 | 3OM | 0.9287 |
28 | 49F | 0.9286 |
29 | CSS | 0.9284 |
30 | ZGL | 0.9275 |
31 | N6C | 0.9270 |
32 | PHB | 0.9262 |
33 | HSM | 0.9259 |
34 | FQI | 0.9258 |
35 | NPO | 0.9258 |
36 | S2G | 0.9252 |
37 | HZP | 0.9251 |
38 | AC6 | 0.9248 |
39 | NYL | 0.9246 |
40 | HPN | 0.9236 |
41 | COI | 0.9235 |
42 | HY1 | 0.9226 |
43 | BHH | 0.9225 |
44 | BNF | 0.9224 |
45 | N4B | 0.9221 |
46 | XLS | 0.9216 |
47 | YRL | 0.9213 |
48 | DAL DAL | 0.9213 |
49 | 69O | 0.9212 |
50 | IXW | 0.9211 |
51 | NIZ | 0.9207 |
52 | FP1 | 0.9195 |
53 | I1E | 0.9190 |
54 | ACA | 0.9185 |
55 | MLT | 0.9185 |
56 | NMH | 0.9184 |
57 | OAA | 0.9182 |
58 | XBT | 0.9182 |
59 | 3OL | 0.9181 |
60 | NWH | 0.9180 |
61 | AG2 | 0.9179 |
62 | ISZ | 0.9177 |
63 | PZI | 0.9176 |
64 | RBJ | 0.9173 |
65 | ASN | 0.9172 |
66 | GUA | 0.9170 |
67 | VKC | 0.9168 |
68 | PRA | 0.9168 |
69 | 261 | 0.9167 |
70 | 271 | 0.9166 |
71 | JYD | 0.9159 |
72 | 2IT | 0.9156 |
73 | KQY | 0.9155 |
74 | FAN | 0.9154 |
75 | BHO | 0.9153 |
76 | ITN | 0.9149 |
77 | S8V | 0.9146 |
78 | 2EH | 0.9145 |
79 | 9ON | 0.9144 |
80 | TZL | 0.9142 |
81 | PEP | 0.9141 |
82 | DAS | 0.9138 |
83 | OCT | 0.9136 |
84 | CFI | 0.9135 |
85 | ILE | 0.9134 |
86 | A8C | 0.9132 |
87 | TEO | 0.9129 |
88 | SRT | 0.9123 |
89 | 16D | 0.9122 |
90 | OKG | 0.9122 |
91 | ONH | 0.9120 |
92 | GLY ALA | 0.9117 |
93 | AEF | 0.9114 |
94 | LT1 | 0.9112 |
95 | GOJ | 0.9111 |
96 | CXF | 0.9111 |
97 | I38 | 0.9107 |
98 | FBJ | 0.9105 |
99 | TAR | 0.9099 |
100 | 7OD | 0.9098 |
101 | NLP | 0.9097 |
102 | ZBT | 0.9097 |
103 | QY9 | 0.9096 |
104 | SLZ | 0.9092 |
105 | GLY GLY | 0.9089 |
106 | 268 | 0.9088 |
107 | DAV | 0.9087 |
108 | SD4 | 0.9084 |
109 | LMR | 0.9082 |
110 | 51F | 0.9080 |
111 | F9P | 0.9080 |
112 | PAC | 0.9078 |
113 | TPA | 0.9078 |
114 | 3PG | 0.9073 |
115 | 263 | 0.9072 |
116 | PG3 | 0.9067 |
117 | SIN | 0.9067 |
118 | SPV | 0.9064 |
119 | J9T | 0.9064 |
120 | 4FA | 0.9062 |
121 | SKJ | 0.9059 |
122 | 8SZ | 0.9059 |
123 | HSO | 0.9058 |
124 | BEN | 0.9057 |
125 | 40E | 0.9056 |
126 | SYM | 0.9053 |
127 | CIZ | 0.9052 |
128 | FEH | 0.9052 |
129 | IOM | 0.9049 |
130 | 3SL | 0.9048 |
131 | MPH | 0.9045 |
132 | KOJ | 0.9045 |
133 | CUW | 0.9041 |
134 | LEA | 0.9041 |
135 | DE5 | 0.9041 |
136 | JZ7 | 0.9039 |
137 | 258 | 0.9038 |
138 | BEZ | 0.9038 |
139 | HBA | 0.9033 |
140 | SYN | 0.9032 |
141 | 8GL | 0.9031 |
142 | VAH | 0.9029 |
143 | PHU | 0.9029 |
144 | LDP | 0.9028 |
145 | 2RH | 0.9027 |
146 | TLA | 0.9026 |
147 | FBM | 0.9025 |
148 | ALA ALA | 0.9021 |
149 | 069 | 0.9021 |
150 | DQY | 0.9021 |
151 | XM0 | 0.9020 |
152 | GJZ | 0.9018 |
153 | 7BC | 0.9017 |
154 | KIV | 0.9017 |
155 | 7A8 | 0.9017 |
156 | THE | 0.9016 |
157 | O45 | 0.9013 |
158 | 2AS | 0.9013 |
159 | OPE | 0.9008 |
160 | MEV | 0.9007 |
161 | PG0 | 0.9006 |
162 | MXN | 0.9003 |
163 | OCA | 0.9001 |
164 | 1SP | 0.9001 |
165 | PPR | 0.8996 |
166 | 1DJ | 0.8996 |
167 | PBC | 0.8994 |
168 | JZ4 | 0.8993 |
169 | SEP | 0.8990 |
170 | HGA | 0.8986 |
171 | 98J | 0.8985 |
172 | 4HP | 0.8981 |
173 | JFJ | 0.8980 |
174 | DPF | 0.8979 |
175 | MRY | 0.8977 |
176 | HDA | 0.8975 |
177 | GZ3 | 0.8973 |
178 | I4B | 0.8973 |
179 | IZC | 0.8971 |
180 | FUM | 0.8967 |
181 | 5XA | 0.8965 |
182 | BAM | 0.8963 |
183 | 7N0 | 0.8962 |
184 | ABU | 0.8959 |
185 | 6JN | 0.8958 |
186 | B24 | 0.8957 |
187 | XUL | 0.8957 |
188 | 9YL | 0.8956 |
189 | NCA | 0.8956 |
190 | RSO | 0.8952 |
191 | 7WG | 0.8949 |
192 | DMV | 0.8949 |
193 | 2LP | 0.8949 |
194 | 3LR | 0.8948 |
195 | 9CL | 0.8948 |
196 | 4VP | 0.8948 |
197 | 0V5 | 0.8946 |
198 | 6PC | 0.8946 |
199 | 0VT | 0.8944 |
200 | PYJ | 0.8942 |
201 | G3P | 0.8941 |
202 | SR1 | 0.8941 |
203 | BSX | 0.8940 |
204 | ABN | 0.8939 |
205 | KMH | 0.8933 |
206 | FBA | 0.8933 |
207 | DZA | 0.8932 |
208 | CRN | 0.8931 |
209 | M6W | 0.8931 |
210 | 1PT | 0.8930 |
211 | K6V | 0.8929 |
212 | 3MV | 0.8925 |
213 | EHM | 0.8924 |
214 | SSB | 0.8923 |
215 | 42J | 0.8922 |
216 | M58 | 0.8921 |
217 | MHN | 0.8921 |
218 | AMC | 0.8919 |
219 | 0L1 | 0.8919 |
220 | NIO | 0.8917 |
221 | BNS | 0.8915 |
222 | HG3 | 0.8913 |
223 | RBL | 0.8912 |
224 | LER | 0.8911 |
225 | MRZ | 0.8910 |
226 | OOG | 0.8907 |
227 | YCP | 0.8906 |
228 | UNU | 0.8902 |
229 | OHP | 0.8898 |
230 | THR | 0.8898 |
231 | R67 | 0.8897 |
232 | B2J | 0.8897 |
233 | MNN | 0.8896 |
234 | PZA | 0.8895 |
235 | LTL | 0.8894 |
236 | PEQ | 0.8893 |
237 | MAE | 0.8890 |
238 | HL4 | 0.8888 |
239 | APY | 0.8888 |
240 | PGA | 0.8887 |
241 | A20 | 0.8882 |
242 | OEG | 0.8881 |
243 | XYL | 0.8880 |
244 | 1DU | 0.8878 |
245 | BP9 | 0.8877 |
246 | PO6 | 0.8877 |
247 | URP | 0.8876 |
248 | 1SA | 0.8874 |
249 | PBN | 0.8873 |
250 | OK7 | 0.8873 |
251 | MUC | 0.8872 |
252 | BHL | 0.8870 |
253 | ROR | 0.8870 |
254 | PKU | 0.8869 |
255 | 2KT | 0.8869 |
256 | BPW | 0.8869 |
257 | 1LN | 0.8865 |
258 | HPV | 0.8865 |
259 | LNO | 0.8865 |
260 | 1SH | 0.8864 |
261 | 9J3 | 0.8864 |
262 | NTU | 0.8862 |
263 | NF3 | 0.8857 |
264 | AEG | 0.8857 |
265 | 5FX | 0.8856 |
266 | ICF | 0.8856 |
267 | 3HG | 0.8856 |
268 | QDK | 0.8853 |
269 | 264 | 0.8852 |
270 | 2BG | 0.8852 |
271 | VAL | 0.8851 |
272 | 3SS | 0.8851 |
273 | AHR | 0.8850 |
274 | SYG | 0.8847 |
275 | DYA | 0.8846 |
276 | RUJ | 0.8846 |
277 | NMG | 0.8846 |
278 | E4P | 0.8845 |
279 | 1MR | 0.8845 |
280 | YPN | 0.8842 |
281 | 8EW | 0.8842 |
282 | MLE | 0.8841 |
283 | IHG | 0.8841 |
284 | SSN | 0.8839 |
285 | DSN | 0.8839 |
286 | KPL | 0.8838 |
287 | MZT | 0.8837 |
288 | RB0 | 0.8837 |
289 | RB5 | 0.8837 |
290 | C2B | 0.8836 |
291 | 4MV | 0.8835 |
292 | HBX | 0.8834 |
293 | HIS | 0.8834 |
294 | SS2 | 0.8833 |
295 | DHR | 0.8833 |
296 | 4SD | 0.8832 |
297 | 4JL | 0.8832 |
298 | BHU | 0.8832 |
299 | IP8 | 0.8831 |
300 | HX3 | 0.8830 |
301 | RNT | 0.8829 |
302 | R2B | 0.8829 |
303 | G3H | 0.8829 |
304 | RAT | 0.8828 |
305 | RNS | 0.8828 |
306 | PBA | 0.8827 |
307 | SHF | 0.8826 |
308 | 13P | 0.8826 |
309 | CMS | 0.8825 |
310 | Q9Z | 0.8824 |
311 | OTR | 0.8822 |
312 | 3HP | 0.8822 |
313 | FOC | 0.8820 |
314 | K34 | 0.8819 |
315 | NBE | 0.8814 |
316 | FB2 | 0.8814 |
317 | 2PC | 0.8814 |
318 | R9M | 0.8811 |
319 | 9YT | 0.8811 |
320 | ZZ3 | 0.8810 |
321 | OHG | 0.8810 |
322 | PLU | 0.8809 |
323 | 54D | 0.8808 |
324 | 2AL | 0.8808 |
325 | FW5 | 0.8806 |
326 | 3XX | 0.8805 |
327 | PAF | 0.8805 |
328 | FK8 | 0.8803 |
329 | SAL | 0.8803 |
330 | 23W | 0.8800 |
331 | 7MU | 0.8799 |
332 | DHY | 0.8799 |
333 | AHN | 0.8795 |
334 | PRY | 0.8793 |
335 | 4LR | 0.8792 |
336 | PCA | 0.8792 |
337 | DGY | 0.8791 |
338 | 9RW | 0.8789 |
339 | 1KA | 0.8786 |
340 | PY7 | 0.8786 |
341 | 5AC | 0.8785 |
342 | URS | 0.8784 |
343 | NXA | 0.8784 |
344 | HX2 | 0.8781 |
345 | QSC | 0.8777 |
346 | H95 | 0.8775 |
347 | SGL | 0.8774 |
348 | HYA | 0.8773 |
349 | SS1 | 0.8772 |
350 | SC2 | 0.8769 |
351 | DEE | 0.8768 |
352 | 60P | 0.8767 |
353 | 2PG | 0.8766 |
354 | OSE | 0.8765 |
355 | HIO | 0.8765 |
356 | AS3 | 0.8764 |
357 | BE2 | 0.8764 |
358 | 4JM | 0.8762 |
359 | KP6 | 0.8760 |
360 | FSG | 0.8760 |
361 | TIH | 0.8758 |
362 | GAG | 0.8758 |
363 | 9X6 | 0.8757 |
364 | SKG | 0.8754 |
365 | 4XR | 0.8753 |
366 | 3YP | 0.8753 |
367 | RTK | 0.8752 |
368 | FPI | 0.8750 |
369 | R1X | 0.8750 |
370 | AC0 | 0.8748 |
371 | A3B | 0.8747 |
372 | 1CO | 0.8747 |
373 | T9G | 0.8746 |
374 | 3PY | 0.8745 |
375 | GPJ | 0.8744 |
376 | AHB | 0.8741 |
377 | EDG | 0.8740 |
378 | 282 | 0.8739 |
379 | COM | 0.8738 |
380 | 2FT | 0.8736 |
381 | DCL | 0.8734 |
382 | PMB | 0.8734 |
383 | AT3 | 0.8732 |
384 | AFS | 0.8731 |
385 | EV0 | 0.8729 |
386 | M4T | 0.8729 |
387 | URO | 0.8729 |
388 | PMF | 0.8729 |
389 | JZ3 | 0.8728 |
390 | GRO | 0.8727 |
391 | 53C | 0.8727 |
392 | MEQ | 0.8727 |
393 | DTL | 0.8723 |
394 | 2RA | 0.8723 |
395 | MLZ | 0.8722 |
396 | SHA | 0.8722 |
397 | HMH | 0.8722 |
398 | 1AB | 0.8720 |
399 | NTN | 0.8720 |
400 | PYF | 0.8720 |
401 | 8EZ | 0.8719 |
402 | LYL | 0.8718 |
403 | DTU | 0.8718 |
404 | GP9 | 0.8717 |
405 | X1S | 0.8717 |
406 | 1GP | 0.8716 |
407 | LLQ | 0.8716 |
408 | RIB | 0.8716 |
409 | 280 | 0.8715 |
410 | ASC | 0.8715 |
411 | Z6J | 0.8714 |
412 | 3PP | 0.8713 |
413 | ES6 | 0.8712 |
414 | AJ3 | 0.8711 |
415 | G4D | 0.8711 |
416 | SMN | 0.8707 |
417 | MZ0 | 0.8706 |
418 | O8Y | 0.8702 |
419 | OEM | 0.8702 |
420 | PSE | 0.8701 |
421 | 03W | 0.8700 |
422 | IT2 | 0.8698 |
423 | HP6 | 0.8697 |
424 | SYC | 0.8696 |
425 | IMR | 0.8694 |
426 | RMN | 0.8694 |
427 | HVQ | 0.8691 |
428 | DPJ | 0.8689 |
429 | 3S5 | 0.8689 |
430 | DOR | 0.8686 |
431 | DDW | 0.8685 |
432 | C2A | 0.8683 |
433 | PGH | 0.8683 |
434 | AKB | 0.8682 |
435 | B40 | 0.8677 |
436 | VPR | 0.8677 |
437 | HPS | 0.8677 |
438 | QMP | 0.8675 |
439 | ORO | 0.8674 |
440 | GLY CYS | 0.8674 |
441 | ETM | 0.8672 |
442 | 3AB | 0.8670 |
443 | CCD | 0.8665 |
444 | DHI | 0.8664 |
445 | SPA | 0.8664 |
446 | GPF | 0.8664 |
447 | NSP | 0.8663 |
448 | 3AL | 0.8661 |
449 | PRS | 0.8660 |
450 | IVL | 0.8659 |
451 | 3U4 | 0.8656 |
452 | 8OZ | 0.8655 |
453 | 3C4 | 0.8653 |
454 | 173 | 0.8652 |
455 | ACH | 0.8650 |
456 | GZL | 0.8648 |
457 | 278 | 0.8648 |
458 | LFC | 0.8648 |
459 | LDU | 0.8647 |
460 | VGL | 0.8644 |
461 | M3P | 0.8642 |
462 | 4CS | 0.8638 |
463 | CXP | 0.8635 |
464 | SOL | 0.8634 |
465 | FUD | 0.8632 |
466 | MAH | 0.8625 |
467 | 3QM | 0.8624 |
468 | KTA | 0.8623 |
469 | SER | 0.8623 |
470 | 286 | 0.8622 |
471 | CHH | 0.8619 |
472 | BVC | 0.8615 |
473 | TAG | 0.8614 |
474 | 34V | 0.8614 |
475 | XSP | 0.8610 |
476 | J9N | 0.8610 |
477 | HIU | 0.8605 |
478 | 2EZ | 0.8604 |
479 | DFB | 0.8603 |
480 | FUB | 0.8600 |
481 | PRZ | 0.8599 |
482 | DGJ | 0.8598 |
483 | VNJ | 0.8598 |
484 | ALO | 0.8590 |
485 | 32O | 0.8589 |
486 | 0OC | 0.8588 |
487 | H8N | 0.8588 |
488 | AOS | 0.8582 |
489 | IF7 | 0.8580 |
490 | GLY PRO | 0.8575 |
491 | IP0 | 0.8574 |
492 | OHJ | 0.8570 |
493 | HY3 | 0.8569 |
494 | S0H | 0.8568 |
495 | 0R0 | 0.8567 |
496 | LPK | 0.8567 |
497 | FPK | 0.8567 |
498 | PSJ | 0.8566 |
499 | FA3 | 0.8561 |
500 | IFL | 0.8558 |
501 | TMH | 0.8558 |
502 | ASO | 0.8552 |
503 | 650 | 0.8544 |
504 | TSS | 0.8544 |
505 | TAU | 0.8541 |
506 | PBE | 0.8540 |
507 | SOR | 0.8539 |
508 | CCE | 0.8538 |
509 | Q07 | 0.8531 |
510 | CP | 0.8522 |
This union binding pocket(no: 1) in the query (biounit: 1y9q.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1y9q.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |