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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 2 families. | |||||
1 | 3WL7 | - | P2D | C5 H8 O2 | CC(=O)CC(=.... |
2 | 3WWC | - | BUA | C4 H8 O2 | CCCC(=O)O |
3 | 3WL8 | - | OCA | C8 H16 O2 | CCCCCCCC(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3WL7 | - | P2D | C5 H8 O2 | CC(=O)CC(=.... |
2 | 3WWC | - | BUA | C4 H8 O2 | CCCC(=O)O |
3 | 3WL8 | - | OCA | C8 H16 O2 | CCCCCCCC(=.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | C5J | 1.0000 |
2 | MLA | 1.0000 |
3 | MLI | 1.0000 |
4 | MLM | 1.0000 |
5 | DMG | 1.0000 |
6 | 3HL | 0.9902 |
7 | IVA | 0.9901 |
8 | 3HR | 0.9812 |
9 | 25T | 0.9802 |
10 | 1DH | 0.9711 |
11 | 24T | 0.9700 |
12 | MAK | 0.9691 |
13 | DTL | 0.9686 |
14 | CEJ | 0.9667 |
15 | PRO | 0.9657 |
16 | HYN | 0.9620 |
17 | FUM | 0.9601 |
18 | HV2 | 0.9601 |
19 | SAR | 0.9592 |
20 | CRS | 0.9591 |
21 | 23W | 0.9584 |
22 | BAL | 0.9570 |
23 | FOA | 0.9562 |
24 | NMG | 0.9552 |
25 | HDA | 0.9540 |
26 | TP5 | 0.9531 |
27 | 3OH | 0.9530 |
28 | IPU | 0.9526 |
29 | BUA | 0.9523 |
30 | XIX | 0.9519 |
31 | 3BB | 0.9510 |
32 | BMD | 0.9506 |
33 | MZW | 0.9499 |
34 | SIN | 0.9498 |
35 | KIV | 0.9494 |
36 | DCL | 0.9493 |
37 | EGD | 0.9490 |
38 | 3CH | 0.9489 |
39 | 273 | 0.9486 |
40 | MAE | 0.9476 |
41 | ABU | 0.9470 |
42 | 3PY | 0.9465 |
43 | J1Z | 0.9459 |
44 | TFB | 0.9451 |
45 | BVF | 0.9448 |
46 | NVI | 0.9447 |
47 | OXL | 0.9447 |
48 | T2C | 0.9446 |
49 | 2HE | 0.9443 |
50 | RCO | 0.9442 |
51 | PYC | 0.9442 |
52 | SSN | 0.9440 |
53 | JZ5 | 0.9440 |
54 | 4H2 | 0.9440 |
55 | 4MV | 0.9439 |
56 | HX2 | 0.9436 |
57 | JBN | 0.9435 |
58 | 2KT | 0.9435 |
59 | 265 | 0.9432 |
60 | THR | 0.9428 |
61 | BU4 | 0.9419 |
62 | LG5 | 0.9416 |
63 | ALO | 0.9413 |
64 | VAL | 0.9407 |
65 | C21 | 0.9405 |
66 | SER | 0.9405 |
67 | BVC | 0.9403 |
68 | 2HA | 0.9401 |
69 | AKB | 0.9400 |
70 | HEW | 0.9399 |
71 | 2PC | 0.9399 |
72 | DPR | 0.9398 |
73 | LG3 | 0.9396 |
74 | SAT | 0.9396 |
75 | OXD | 0.9396 |
76 | 8GF | 0.9394 |
77 | M3T | 0.9393 |
78 | IQ0 | 0.9390 |
79 | MSF | 0.9390 |
80 | URA | 0.9389 |
81 | PXY | 0.9389 |
82 | 26D | 0.9388 |
83 | CP | 0.9384 |
84 | HQE | 0.9382 |
85 | DSN | 0.9382 |
86 | PCR | 0.9380 |
87 | TZC | 0.9379 |
88 | ITU | 0.9376 |
89 | PLQ | 0.9375 |
90 | LER | 0.9374 |
91 | POA | 0.9374 |
92 | HGQ | 0.9373 |
93 | AOA | 0.9373 |
94 | FPN | 0.9372 |
95 | CYT | 0.9372 |
96 | B3R | 0.9367 |
97 | BUB | 0.9366 |
98 | 69O | 0.9365 |
99 | LEA | 0.9363 |
100 | DA1 | 0.9363 |
101 | 25R | 0.9356 |
102 | PAE | 0.9355 |
103 | OHG | 0.9354 |
104 | LG4 | 0.9353 |
105 | KG7 | 0.9353 |
106 | XAP | 0.9351 |
107 | PRS | 0.9351 |
108 | 282 | 0.9349 |
109 | MZ0 | 0.9349 |
110 | CIG | 0.9347 |
111 | 284 | 0.9346 |
112 | BUQ | 0.9342 |
113 | 7VD | 0.9329 |
114 | JAB | 0.9322 |
115 | CYS | 0.9321 |
116 | MPD | 0.9320 |
117 | SYN | 0.9316 |
118 | HSE | 0.9316 |
119 | DGY | 0.9316 |
120 | TMT | 0.9315 |
121 | MTG | 0.9314 |
122 | XRG | 0.9309 |
123 | IHG | 0.9309 |
124 | S0H | 0.9307 |
125 | PUT | 0.9306 |
126 | BP9 | 0.9305 |
127 | TB6 | 0.9301 |
128 | 9X7 | 0.9300 |
129 | SLP | 0.9300 |
130 | MTD | 0.9297 |
131 | 4CH | 0.9296 |
132 | 1DU | 0.9296 |
133 | 4JU | 0.9294 |
134 | NBE | 0.9293 |
135 | BXO | 0.9289 |
136 | MEU | 0.9287 |
137 | PCT | 0.9282 |
138 | BML | 0.9282 |
139 | GOL | 0.9281 |
140 | HBX | 0.9275 |
141 | 54D | 0.9273 |
142 | HIU | 0.9269 |
143 | HVQ | 0.9268 |
144 | TMZ | 0.9258 |
145 | FW5 | 0.9255 |
146 | HUI | 0.9255 |
147 | FCN | 0.9249 |
148 | 2MH | 0.9248 |
149 | CXL | 0.9248 |
150 | PYF | 0.9247 |
151 | M6W | 0.9238 |
152 | ABN | 0.9235 |
153 | 4JN | 0.9234 |
154 | CHT | 0.9233 |
155 | DBB | 0.9232 |
156 | HHQ | 0.9230 |
157 | AMC | 0.9223 |
158 | 4HS | 0.9221 |
159 | MRY | 0.9218 |
160 | BVG | 0.9217 |
161 | MBN | 0.9216 |
162 | SMV | 0.9215 |
163 | DXX | 0.9215 |
164 | GXE | 0.9214 |
165 | 03W | 0.9212 |
166 | FBJ | 0.9210 |
167 | 4AP | 0.9207 |
168 | SMB | 0.9203 |
169 | PE9 | 0.9199 |
170 | A2Q | 0.9198 |
171 | ABA | 0.9196 |
172 | FPI | 0.9195 |
173 | IPH | 0.9193 |
174 | ISU | 0.9188 |
175 | 2IM | 0.9185 |
176 | DSS | 0.9185 |
177 | 3AP | 0.9183 |
178 | HRZ | 0.9182 |
179 | HVK | 0.9181 |
180 | 9PO | 0.9178 |
181 | WOT | 0.9177 |
182 | CYH | 0.9175 |
183 | 2AP | 0.9174 |
184 | LAC | 0.9169 |
185 | PYR | 0.9167 |
186 | PCA | 0.9167 |
187 | MMU | 0.9166 |
188 | 39J | 0.9164 |
189 | XBT | 0.9163 |
190 | HCS | 0.9159 |
191 | BEN | 0.9153 |
192 | 192 | 0.9153 |
193 | 1AC | 0.9151 |
194 | 13D | 0.9151 |
195 | 6PC | 0.9150 |
196 | YCP | 0.9150 |
197 | UY7 | 0.9147 |
198 | H3M | 0.9146 |
199 | DE2 | 0.9144 |
200 | BEZ | 0.9143 |
201 | HAI | 0.9143 |
202 | C2N | 0.9141 |
203 | HBA | 0.9140 |
204 | DUC | 0.9139 |
205 | 8X3 | 0.9137 |
206 | 3MT | 0.9133 |
207 | LGA | 0.9130 |
208 | HSM | 0.9129 |
209 | OAA | 0.9127 |
210 | IND | 0.9125 |
211 | 8CL | 0.9123 |
212 | DCY | 0.9122 |
213 | ETX | 0.9121 |
214 | ATQ | 0.9120 |
215 | IOL | 0.9118 |
216 | L60 | 0.9118 |
217 | BZI | 0.9117 |
218 | 9CL | 0.9116 |
219 | 0R1 | 0.9115 |
220 | LZ1 | 0.9114 |
221 | 2EZ | 0.9112 |
222 | 9YL | 0.9112 |
223 | TAU | 0.9111 |
224 | 4VP | 0.9111 |
225 | CSS | 0.9110 |
226 | AMT | 0.9109 |
227 | 1MR | 0.9109 |
228 | NCA | 0.9109 |
229 | 9A7 | 0.9108 |
230 | RSF | 0.9107 |
231 | BAE | 0.9106 |
232 | BZF | 0.9106 |
233 | NBZ | 0.9106 |
234 | ILE | 0.9105 |
235 | 4HA | 0.9105 |
236 | 4XX | 0.9104 |
237 | DEN | 0.9103 |
238 | NTN | 0.9103 |
239 | ODV | 0.9102 |
240 | MPI | 0.9100 |
241 | GVH | 0.9100 |
242 | DTU | 0.9098 |
243 | BAM | 0.9095 |
244 | HYP | 0.9094 |
245 | PY7 | 0.9092 |
246 | HHN | 0.9091 |
247 | 2OP | 0.9091 |
248 | IDH | 0.9090 |
249 | A3B | 0.9084 |
250 | PZA | 0.9082 |
251 | PRI | 0.9081 |
252 | 14J | 0.9078 |
253 | DAL | 0.9078 |
254 | AC0 | 0.9077 |
255 | ALQ | 0.9076 |
256 | VGL | 0.9075 |
257 | PIH | 0.9075 |
258 | HZP | 0.9075 |
259 | ETM | 0.9075 |
260 | 4JP | 0.9074 |
261 | NIO | 0.9072 |
262 | UNU | 0.9068 |
263 | 285 | 0.9067 |
264 | V1L | 0.9065 |
265 | 93B | 0.9064 |
266 | BAQ | 0.9063 |
267 | H95 | 0.9062 |
268 | ALA | 0.9060 |
269 | 2RA | 0.9059 |
270 | THE | 0.9059 |
271 | PAH | 0.9058 |
272 | HBS | 0.9054 |
273 | OPE | 0.9054 |
274 | 1SP | 0.9052 |
275 | 1CB | 0.9050 |
276 | P7I | 0.9048 |
277 | MLT | 0.9045 |
278 | ZBT | 0.9045 |
279 | 3CL | 0.9045 |
280 | FQI | 0.9041 |
281 | HGY | 0.9039 |
282 | 3ZQ | 0.9039 |
283 | CRN | 0.9038 |
284 | AML | 0.9038 |
285 | SS1 | 0.9036 |
286 | PHB | 0.9032 |
287 | NK | 0.9028 |
288 | PPF | 0.9026 |
289 | IDM | 0.9026 |
290 | MZY | 0.9026 |
291 | 1PT | 0.9025 |
292 | 4MZ | 0.9023 |
293 | 0CT | 0.9020 |
294 | TTO | 0.9015 |
295 | OXM | 0.9014 |
296 | 1DQ | 0.9014 |
297 | TZL | 0.9014 |
298 | B24 | 0.9014 |
299 | CRD | 0.9013 |
300 | VAH | 0.9012 |
301 | PBC | 0.9010 |
302 | 5MP | 0.9010 |
303 | NVA | 0.9007 |
304 | HBR | 0.9004 |
305 | 7EX | 0.9000 |
306 | 3GR | 0.8999 |
307 | 1MC | 0.8999 |
308 | IOM | 0.8995 |
309 | 2MZ | 0.8993 |
310 | JZ6 | 0.8991 |
311 | MB3 | 0.8991 |
312 | UGC | 0.8987 |
313 | 5AC | 0.8986 |
314 | SGL | 0.8986 |
315 | XUL | 0.8986 |
316 | ECE | 0.8985 |
317 | HGW | 0.8981 |
318 | 5H1 | 0.8981 |
319 | 1MZ | 0.8981 |
320 | 4SD | 0.8981 |
321 | 3TR | 0.8979 |
322 | MR3 | 0.8979 |
323 | 14O | 0.8978 |
324 | 60P | 0.8978 |
325 | F60 | 0.8976 |
326 | PYM | 0.8976 |
327 | TH0 | 0.8976 |
328 | FLA | 0.8975 |
329 | RBL | 0.8974 |
330 | TM7 | 0.8974 |
331 | HPY | 0.8973 |
332 | 2K4 | 0.8971 |
333 | 5MI | 0.8970 |
334 | MZG | 0.8967 |
335 | HOW | 0.8966 |
336 | ICC | 0.8964 |
337 | OXQ | 0.8964 |
338 | XYL | 0.8963 |
339 | RB5 | 0.8963 |
340 | A8C | 0.8962 |
341 | EHM | 0.8961 |
342 | 3SS | 0.8960 |
343 | APY | 0.8959 |
344 | 5JC | 0.8959 |
345 | 5MB | 0.8959 |
346 | BEW | 0.8958 |
347 | URF | 0.8957 |
348 | GBD | 0.8957 |
349 | 5KX | 0.8956 |
350 | FJO | 0.8956 |
351 | 2AI | 0.8955 |
352 | GAG | 0.8954 |
353 | MCT | 0.8954 |
354 | MWM | 0.8953 |
355 | CAQ | 0.8952 |
356 | BZX | 0.8952 |
357 | PGA | 0.8951 |
358 | M2H | 0.8950 |
359 | PYJ | 0.8950 |
360 | JZ9 | 0.8950 |
361 | IT2 | 0.8950 |
362 | AC5 | 0.8950 |
363 | ASP | 0.8949 |
364 | XPO | 0.8948 |
365 | TDR | 0.8944 |
366 | QSC | 0.8944 |
367 | NBN | 0.8944 |
368 | LMR | 0.8944 |
369 | 2RH | 0.8943 |
370 | BYZ | 0.8943 |
371 | GLY ALA | 0.8942 |
372 | FAN | 0.8941 |
373 | COI | 0.8940 |
374 | 7WG | 0.8939 |
375 | LDU | 0.8939 |
376 | HE2 | 0.8934 |
377 | MWJ | 0.8931 |
378 | C2A | 0.8931 |
379 | 11S | 0.8930 |
380 | HT4 | 0.8930 |
381 | ITN | 0.8930 |
382 | HY3 | 0.8929 |
383 | VX | 0.8928 |
384 | 3MC | 0.8928 |
385 | 40O | 0.8923 |
386 | 5UC | 0.8921 |
387 | 2MY | 0.8920 |
388 | MRZ | 0.8919 |
389 | 47J | 0.8918 |
390 | DUB | 0.8918 |
391 | FBA | 0.8916 |
392 | OK7 | 0.8915 |
393 | 2C9 | 0.8915 |
394 | ICP | 0.8915 |
395 | PYD | 0.8915 |
396 | 6AI | 0.8914 |
397 | PYZ | 0.8913 |
398 | WBU | 0.8912 |
399 | TEO | 0.8911 |
400 | 4JM | 0.8910 |
401 | ES9 | 0.8909 |
402 | 2CH | 0.8908 |
403 | PPV | 0.8907 |
404 | 6X8 | 0.8907 |
405 | 4HO | 0.8906 |
406 | 6SP | 0.8906 |
407 | SS2 | 0.8906 |
408 | 275 | 0.8903 |
409 | XYD | 0.8901 |
410 | M58 | 0.8899 |
411 | 4ZE | 0.8898 |
412 | PXO | 0.8897 |
413 | JZ0 | 0.8895 |
414 | 2YU | 0.8889 |
415 | PYG | 0.8888 |
416 | MBD | 0.8888 |
417 | GMN | 0.8888 |
418 | DTT | 0.8887 |
419 | 3FA | 0.8884 |
420 | R2B | 0.8883 |
421 | BUO | 0.8882 |
422 | DYA | 0.8882 |
423 | H4N | 0.8882 |
424 | UYA | 0.8880 |
425 | COM | 0.8880 |
426 | FFP | 0.8879 |
427 | QFH | 0.8879 |
428 | GBL | 0.8878 |
429 | FLM | 0.8877 |
430 | EFS | 0.8877 |
431 | 93Q | 0.8874 |
432 | ASN | 0.8873 |
433 | PKU | 0.8873 |
434 | 43M | 0.8872 |
435 | AHR | 0.8872 |
436 | ES3 | 0.8871 |
437 | 2MP | 0.8871 |
438 | DTI | 0.8870 |
439 | 2AC | 0.8869 |
440 | 34A | 0.8868 |
441 | JZ2 | 0.8868 |
442 | 1AB | 0.8867 |
443 | BTL | 0.8867 |
444 | 0R0 | 0.8864 |
445 | 2CO | 0.8864 |
446 | 938 | 0.8862 |
447 | FK1 | 0.8861 |
448 | XBZ | 0.8857 |
449 | 4JJ | 0.8853 |
450 | 2CM | 0.8853 |
451 | 5MH | 0.8852 |
452 | HY1 | 0.8851 |
453 | L89 | 0.8851 |
454 | 6MH | 0.8851 |
455 | NAK | 0.8851 |
456 | 4JO | 0.8847 |
457 | GG6 | 0.8846 |
458 | LEU | 0.8844 |
459 | OXE | 0.8844 |
460 | BR9 | 0.8843 |
461 | LLQ | 0.8843 |
462 | HTX | 0.8842 |
463 | HTS | 0.8839 |
464 | 1AN | 0.8833 |
465 | A20 | 0.8829 |
466 | 5Y9 | 0.8828 |
467 | XYP | 0.8826 |
468 | IUR | 0.8824 |
469 | AX7 | 0.8824 |
470 | 270 | 0.8824 |
471 | R8S | 0.8823 |
472 | 8LG | 0.8823 |
473 | CMS | 0.8822 |
474 | 4CL | 0.8821 |
475 | 92Z | 0.8819 |
476 | 3CE | 0.8818 |
477 | JZ3 | 0.8816 |
478 | 3MH | 0.8816 |
479 | 8NY | 0.8816 |
480 | 280 | 0.8814 |
481 | 2AF | 0.8811 |
482 | A1U | 0.8808 |
483 | RSO | 0.8808 |
484 | FP2 | 0.8807 |
485 | KSW | 0.8802 |
486 | 2MI | 0.8802 |
487 | ISZ | 0.8802 |
488 | 94N | 0.8800 |
489 | YHO | 0.8798 |
490 | POP | 0.8798 |
491 | 0RW | 0.8797 |
492 | 6M9 | 0.8796 |
493 | BNS | 0.8796 |
494 | 3Q7 | 0.8795 |
495 | NIS | 0.8795 |
496 | 1DW | 0.8795 |
497 | XLS | 0.8795 |
498 | 9A4 | 0.8794 |
499 | CIZ | 0.8794 |
500 | FPY | 0.8791 |
501 | H8N | 0.8785 |
502 | ABV | 0.8784 |
503 | 76X | 0.8784 |
504 | TAR | 0.8783 |
505 | P92 | 0.8783 |
506 | MET | 0.8780 |
507 | HLR | 0.8779 |
508 | 2PN | 0.8776 |
509 | JYD | 0.8774 |
510 | QUZ | 0.8774 |
511 | TLD | 0.8773 |
512 | MMZ | 0.8772 |
513 | 27Y | 0.8772 |
514 | F3V | 0.8769 |
515 | 4JL | 0.8766 |
516 | DAS | 0.8765 |
517 | LXC | 0.8763 |
518 | PIS | 0.8755 |
519 | C2B | 0.8750 |
520 | 40E | 0.8750 |
521 | 286 | 0.8748 |
522 | 51F | 0.8748 |
523 | F05 | 0.8742 |
524 | IZC | 0.8742 |
525 | TZE | 0.8740 |
526 | 98J | 0.8738 |
527 | Y8I | 0.8738 |
528 | NPO | 0.8738 |
529 | 23B | 0.8735 |
530 | FAH | 0.8731 |
531 | BHO | 0.8729 |
532 | 0TR | 0.8727 |
533 | D2P | 0.8727 |
534 | FUL | 0.8727 |
535 | NPY | 0.8727 |
536 | PAF | 0.8723 |
537 | 9EW | 0.8720 |
538 | TLA | 0.8717 |
539 | CXF | 0.8714 |
540 | R8A | 0.8714 |
541 | 7CZ | 0.8713 |
542 | FBM | 0.8708 |
543 | 1XX | 0.8708 |
544 | 1DV | 0.8708 |
545 | 9SB | 0.8706 |
546 | 717 | 0.8703 |
547 | SRT | 0.8700 |
548 | NIZ | 0.8695 |
549 | 2XX | 0.8693 |
550 | RIP | 0.8692 |
551 | URP | 0.8690 |
552 | KOJ | 0.8690 |
553 | GLY | 0.8688 |
554 | 4XR | 0.8688 |
555 | 2DR | 0.8684 |
556 | 4ZC | 0.8683 |
557 | 9TY | 0.8681 |
558 | FYU | 0.8678 |
559 | ZZT | 0.8667 |
560 | GLV | 0.8666 |
561 | AKR | 0.8666 |
562 | GLY GLY | 0.8665 |
563 | HAE | 0.8665 |
564 | JZ1 | 0.8665 |
565 | NMU | 0.8659 |
566 | PPI | 0.8654 |
567 | 3AB | 0.8653 |
568 | CFI | 0.8648 |
569 | GAB | 0.8647 |
570 | PAB | 0.8647 |
571 | JBE | 0.8645 |
572 | 3XX | 0.8643 |
573 | SAL | 0.8639 |
574 | 6M4 | 0.8638 |
575 | WCE | 0.8637 |
576 | HBD | 0.8635 |
577 | DFU | 0.8634 |
578 | NIE | 0.8632 |
579 | YAN | 0.8630 |
580 | F50 | 0.8630 |
581 | FEH | 0.8627 |
582 | HVB | 0.8624 |
583 | PBZ | 0.8624 |
584 | NXA | 0.8623 |
585 | 8GC | 0.8622 |
586 | SVN | 0.8621 |
587 | 4SV | 0.8619 |
588 | GOA | 0.8616 |
589 | 3U4 | 0.8614 |
590 | PEA | 0.8609 |
591 | BE2 | 0.8607 |
592 | ORN | 0.8603 |
593 | 3ZS | 0.8600 |
594 | GIF | 0.8597 |
595 | XM0 | 0.8594 |
596 | PEL | 0.8587 |
597 | 53C | 0.8586 |
598 | Z82 | 0.8585 |
599 | SNE | 0.8573 |
600 | 2CQ | 0.8570 |
601 | 271 | 0.8564 |
602 | F9P | 0.8563 |
603 | MXN | 0.8560 |
604 | O7U | 0.8560 |
605 | XYS | 0.8558 |
606 | PEP | 0.8553 |
607 | DFB | 0.8552 |
608 | 150 | 0.8546 |
609 | MGX | 0.8539 |
610 | HSL | 0.8532 |
611 | TSZ | 0.8531 |
This union binding pocket(no: 1) in the query (biounit: 3wwc.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3wwc.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |