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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 261 families. | |||||
1 | 6AID | - | 9YL | C5 H10 O3 | CCOC(=O)[C.... |
2 | 5ZRR | - | 9J3 | C6 H10 O4 | CCOC(=O)CC.... |
3 | 5ZRS | - | 9J6 | C8 H14 O4 | CCOC(=O)CC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 6AID | - | 9YL | C5 H10 O3 | CCOC(=O)[C.... |
2 | 6THT | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
3 | 5XH2 | - | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
4 | 5XH3 | - | 856 | C11 H12 O5 | COC(=O)c1c.... |
5 | 5ZRR | - | 9J3 | C6 H10 O4 | CCOC(=O)CC.... |
6 | 5ZRS | - | 9J6 | C8 H14 O4 | CCOC(=O)CC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 9YL | 1 | 1 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2OP | 1 | 1 |
2 | LAC | 1 | 1 |
3 | HBR | 0.6 | 0.615385 |
4 | HBS | 0.6 | 0.615385 |
5 | 2RH | 0.5 | 0.631579 |
6 | SRT | 0.5 | 0.611111 |
7 | TAR | 0.5 | 0.611111 |
8 | TLA | 0.5 | 0.611111 |
9 | IPM | 0.47619 | 0.631579 |
10 | KIV | 0.444444 | 0.625 |
11 | LFC | 0.434783 | 0.8 |
12 | WTZ | 0.428571 | 0.631579 |
13 | 23B | 0.428571 | 0.631579 |
14 | QFH | 0.428571 | 0.631579 |
15 | LGT | 0.421053 | 0.611111 |
16 | GAE | 0.421053 | 0.611111 |
17 | RAT | 0.421053 | 0.611111 |
18 | 3LR | 0.4 | 0.6 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 9X7 | 0.9775 |
2 | 3PY | 0.9757 |
3 | 2KT | 0.9727 |
4 | 69O | 0.9726 |
5 | HSE | 0.9706 |
6 | KG7 | 0.9686 |
7 | CYS | 0.9669 |
8 | SER | 0.9662 |
9 | HCS | 0.9656 |
10 | C2N | 0.9645 |
11 | DSN | 0.9620 |
12 | ABA | 0.9592 |
13 | LMR | 0.9558 |
14 | KIV | 0.9555 |
15 | CSS | 0.9551 |
16 | SSN | 0.9543 |
17 | OAA | 0.9537 |
18 | 2RA | 0.9530 |
19 | ASN | 0.9527 |
20 | VAL | 0.9522 |
21 | LEU | 0.9513 |
22 | 1AB | 0.9511 |
23 | DXX | 0.9505 |
24 | ILE | 0.9501 |
25 | THR | 0.9497 |
26 | DBB | 0.9496 |
27 | BP9 | 0.9493 |
28 | ASP | 0.9477 |
29 | NVA | 0.9470 |
30 | ABU | 0.9470 |
31 | MLT | 0.9470 |
32 | HBX | 0.9465 |
33 | TFB | 0.9461 |
34 | SYN | 0.9460 |
35 | MAE | 0.9458 |
36 | A3B | 0.9455 |
37 | DGY | 0.9444 |
38 | FW5 | 0.9438 |
39 | ABN | 0.9433 |
40 | LEA | 0.9433 |
41 | NVI | 0.9426 |
42 | HBA | 0.9425 |
43 | PYJ | 0.9424 |
44 | B24 | 0.9422 |
45 | SIN | 0.9420 |
46 | 2CO | 0.9418 |
47 | MZW | 0.9416 |
48 | TEO | 0.9415 |
49 | 1MR | 0.9410 |
50 | DAB | 0.9409 |
51 | IHG | 0.9406 |
52 | HSM | 0.9399 |
53 | AMC | 0.9396 |
54 | HVQ | 0.9395 |
55 | MAK | 0.9386 |
56 | PCA | 0.9384 |
57 | COI | 0.9376 |
58 | DCY | 0.9374 |
59 | JZ3 | 0.9372 |
60 | BVG | 0.9365 |
61 | DYA | 0.9362 |
62 | FUM | 0.9359 |
63 | FPI | 0.9357 |
64 | 1DU | 0.9355 |
65 | LDU | 0.9354 |
66 | 9CL | 0.9352 |
67 | MLA | 0.9346 |
68 | MLI | 0.9345 |
69 | PRO | 0.9345 |
70 | PYF | 0.9342 |
71 | ALO | 0.9340 |
72 | UGC | 0.9339 |
73 | HDA | 0.9335 |
74 | OHG | 0.9331 |
75 | 4VP | 0.9330 |
76 | R2B | 0.9329 |
77 | HIU | 0.9328 |
78 | MZ0 | 0.9327 |
79 | 4MV | 0.9325 |
80 | PRI | 0.9322 |
81 | BAE | 0.9321 |
82 | HV2 | 0.9318 |
83 | SMB | 0.9311 |
84 | BVC | 0.9301 |
85 | BUB | 0.9300 |
86 | EDG | 0.9298 |
87 | APY | 0.9297 |
88 | MEU | 0.9291 |
89 | MET | 0.9289 |
90 | LER | 0.9289 |
91 | 23W | 0.9288 |
92 | 271 | 0.9288 |
93 | BML | 0.9286 |
94 | GOL | 0.9284 |
95 | 282 | 0.9284 |
96 | MRY | 0.9282 |
97 | R1X | 0.9280 |
98 | CHT | 0.9280 |
99 | CMS | 0.9279 |
100 | 6PC | 0.9278 |
101 | THE | 0.9277 |
102 | XYL | 0.9276 |
103 | RB5 | 0.9276 |
104 | RB0 | 0.9276 |
105 | TP5 | 0.9275 |
106 | 2EZ | 0.9273 |
107 | 1SP | 0.9271 |
108 | 51F | 0.9269 |
109 | DE2 | 0.9267 |
110 | 40E | 0.9265 |
111 | DTL | 0.9262 |
112 | HUI | 0.9261 |
113 | VKC | 0.9258 |
114 | XUL | 0.9254 |
115 | 5FX | 0.9251 |
116 | JZ1 | 0.9251 |
117 | NLE | 0.9242 |
118 | 286 | 0.9235 |
119 | JZ7 | 0.9233 |
120 | TZE | 0.9233 |
121 | 0R0 | 0.9232 |
122 | TZC | 0.9231 |
123 | ORN | 0.9231 |
124 | 14J | 0.9229 |
125 | BEN | 0.9229 |
126 | OKG | 0.9224 |
127 | IVA | 0.9222 |
128 | SRT | 0.9222 |
129 | PG3 | 0.9221 |
130 | 2RH | 0.9220 |
131 | HYA | 0.9219 |
132 | URA | 0.9219 |
133 | 5AC | 0.9217 |
134 | ETM | 0.9214 |
135 | 2PC | 0.9209 |
136 | HY1 | 0.9208 |
137 | 03W | 0.9204 |
138 | 280 | 0.9204 |
139 | NIO | 0.9203 |
140 | VAH | 0.9203 |
141 | FAN | 0.9203 |
142 | 2DR | 0.9202 |
143 | JYD | 0.9202 |
144 | 192 | 0.9201 |
145 | ODV | 0.9199 |
146 | DTU | 0.9198 |
147 | CXF | 0.9197 |
148 | 2MH | 0.9196 |
149 | 4CH | 0.9194 |
150 | TLA | 0.9194 |
151 | BUA | 0.9191 |
152 | 2HA | 0.9186 |
153 | BAM | 0.9185 |
154 | BEZ | 0.9185 |
155 | OPE | 0.9184 |
156 | 7WG | 0.9184 |
157 | HTX | 0.9183 |
158 | HX2 | 0.9183 |
159 | NK | 0.9183 |
160 | RSO | 0.9181 |
161 | 2HE | 0.9178 |
162 | PEA | 0.9176 |
163 | 39J | 0.9176 |
164 | PZA | 0.9176 |
165 | KMT | 0.9175 |
166 | BTL | 0.9175 |
167 | AAE | 0.9174 |
168 | MLM | 0.9172 |
169 | SS2 | 0.9172 |
170 | XPO | 0.9167 |
171 | T2C | 0.9167 |
172 | 4JU | 0.9165 |
173 | ITU | 0.9165 |
174 | KOJ | 0.9163 |
175 | URF | 0.9161 |
176 | NCA | 0.9160 |
177 | CRN | 0.9159 |
178 | 4JL | 0.9158 |
179 | CEE | 0.9156 |
180 | IMR | 0.9156 |
181 | PEL | 0.9156 |
182 | ITN | 0.9155 |
183 | C2B | 0.9155 |
184 | QSC | 0.9154 |
185 | NBZ | 0.9153 |
186 | IPH | 0.9152 |
187 | SAR | 0.9151 |
188 | TAR | 0.9148 |
189 | 13P | 0.9145 |
190 | CRS | 0.9145 |
191 | A8C | 0.9145 |
192 | HGQ | 0.9144 |
193 | AC5 | 0.9143 |
194 | RBL | 0.9142 |
195 | 26D | 0.9141 |
196 | M6W | 0.9141 |
197 | PBC | 0.9140 |
198 | ROR | 0.9139 |
199 | BAL | 0.9138 |
200 | JBN | 0.9136 |
201 | IPU | 0.9136 |
202 | 273 | 0.9135 |
203 | SMV | 0.9135 |
204 | DAV | 0.9134 |
205 | FOA | 0.9134 |
206 | IOM | 0.9132 |
207 | BXO | 0.9132 |
208 | NMG | 0.9131 |
209 | BNS | 0.9126 |
210 | BMD | 0.9125 |
211 | PY7 | 0.9124 |
212 | DMG | 0.9122 |
213 | DTT | 0.9122 |
214 | MTG | 0.9120 |
215 | PYC | 0.9120 |
216 | AHB | 0.9119 |
217 | WBU | 0.9118 |
218 | SGL | 0.9117 |
219 | P2D | 0.9112 |
220 | DAS | 0.9111 |
221 | IXW | 0.9111 |
222 | IFM | 0.9111 |
223 | 98J | 0.9109 |
224 | FBA | 0.9108 |
225 | FQI | 0.9107 |
226 | FJO | 0.9107 |
227 | PGA | 0.9107 |
228 | 4HA | 0.9106 |
229 | 2AS | 0.9105 |
230 | AHR | 0.9105 |
231 | 3HR | 0.9102 |
232 | CEJ | 0.9102 |
233 | C5J | 0.9101 |
234 | 717 | 0.9100 |
235 | 4SD | 0.9096 |
236 | CP | 0.9095 |
237 | 2YU | 0.9092 |
238 | DCL | 0.9091 |
239 | 6NA | 0.9091 |
240 | MSE | 0.9090 |
241 | UNU | 0.9089 |
242 | FLA | 0.9089 |
243 | IP0 | 0.9087 |
244 | GLY ALA | 0.9083 |
245 | VX | 0.9082 |
246 | 49F | 0.9081 |
247 | GUA | 0.9081 |
248 | 5JC | 0.9080 |
249 | 3HL | 0.9079 |
250 | H76 | 0.9079 |
251 | RSF | 0.9077 |
252 | 7N0 | 0.9076 |
253 | RIB | 0.9076 |
254 | GG6 | 0.9076 |
255 | PAE | 0.9075 |
256 | PUT | 0.9074 |
257 | COM | 0.9073 |
258 | 2XX | 0.9072 |
259 | C21 | 0.9071 |
260 | CIZ | 0.9070 |
261 | PE9 | 0.9069 |
262 | 3GR | 0.9068 |
263 | MZG | 0.9066 |
264 | H95 | 0.9066 |
265 | EHM | 0.9066 |
266 | FP1 | 0.9066 |
267 | C2A | 0.9065 |
268 | H8N | 0.9064 |
269 | NXA | 0.9062 |
270 | 93B | 0.9061 |
271 | 1DH | 0.9059 |
272 | XRG | 0.9059 |
273 | 278 | 0.9058 |
274 | QDK | 0.9058 |
275 | HEW | 0.9054 |
276 | XLS | 0.9054 |
277 | FBJ | 0.9050 |
278 | PRS | 0.9050 |
279 | HX3 | 0.9047 |
280 | 261 | 0.9045 |
281 | A20 | 0.9044 |
282 | SAL | 0.9040 |
283 | BE2 | 0.9040 |
284 | TAU | 0.9038 |
285 | PEP | 0.9035 |
286 | 27Y | 0.9035 |
287 | HPY | 0.9034 |
288 | 3SS | 0.9033 |
289 | UY7 | 0.9033 |
290 | YHO | 0.9032 |
291 | AKB | 0.9032 |
292 | PHB | 0.9031 |
293 | 284 | 0.9031 |
294 | HY3 | 0.9031 |
295 | XBT | 0.9030 |
296 | GXE | 0.9027 |
297 | 2LP | 0.9026 |
298 | NBN | 0.9026 |
299 | DQY | 0.9022 |
300 | PIH | 0.9020 |
301 | A2Q | 0.9020 |
302 | PAB | 0.9019 |
303 | PAH | 0.9019 |
304 | DGL | 0.9018 |
305 | FPY | 0.9017 |
306 | 60P | 0.9017 |
307 | OK7 | 0.9015 |
308 | BR9 | 0.9015 |
309 | XAP | 0.9011 |
310 | NPO | 0.9011 |
311 | HYP | 0.9008 |
312 | CXL | 0.9007 |
313 | MRZ | 0.9007 |
314 | 7VD | 0.9007 |
315 | 3XX | 0.9006 |
316 | CYH | 0.9005 |
317 | IDM | 0.9004 |
318 | DPR | 0.9004 |
319 | JZ5 | 0.9004 |
320 | ETX | 0.9003 |
321 | D2P | 0.9003 |
322 | SD4 | 0.9002 |
323 | MCT | 0.9002 |
324 | 25T | 0.9002 |
325 | MWJ | 0.9002 |
326 | ES6 | 0.9000 |
327 | 4XR | 0.9000 |
328 | 4HO | 0.9000 |
329 | M3T | 0.9000 |
330 | 2IM | 0.8998 |
331 | 3BB | 0.8998 |
332 | GAG | 0.8998 |
333 | MB3 | 0.8996 |
334 | SHF | 0.8995 |
335 | B3R | 0.8995 |
336 | ZBT | 0.8993 |
337 | AC0 | 0.8991 |
338 | VGL | 0.8990 |
339 | HHQ | 0.8990 |
340 | HT4 | 0.8990 |
341 | SLP | 0.8989 |
342 | BZX | 0.8989 |
343 | 2HG | 0.8989 |
344 | 4CL | 0.8988 |
345 | YCP | 0.8987 |
346 | NTN | 0.8985 |
347 | YRL | 0.8984 |
348 | KSW | 0.8983 |
349 | 9SB | 0.8983 |
350 | L60 | 0.8983 |
351 | 4JJ | 0.8983 |
352 | 4HS | 0.8981 |
353 | 4FA | 0.8980 |
354 | PZI | 0.8980 |
355 | HAI | 0.8979 |
356 | SNE | 0.8978 |
357 | 8X3 | 0.8977 |
358 | JZ2 | 0.8975 |
359 | OGA | 0.8974 |
360 | M58 | 0.8973 |
361 | GIF | 0.8972 |
362 | LG4 | 0.8972 |
363 | ICF | 0.8971 |
364 | 0V5 | 0.8969 |
365 | AOA | 0.8967 |
366 | M2H | 0.8967 |
367 | FYU | 0.8967 |
368 | ECE | 0.8966 |
369 | 3CH | 0.8965 |
370 | TM7 | 0.8964 |
371 | 3U4 | 0.8964 |
372 | HYN | 0.8963 |
373 | PBZ | 0.8962 |
374 | XIX | 0.8961 |
375 | Y8I | 0.8960 |
376 | HGW | 0.8960 |
377 | 54D | 0.8959 |
378 | BHO | 0.8957 |
379 | 3OH | 0.8956 |
380 | MED | 0.8956 |
381 | BVF | 0.8954 |
382 | 2AC | 0.8953 |
383 | IDH | 0.8951 |
384 | CFI | 0.8951 |
385 | R8A | 0.8951 |
386 | MWM | 0.8949 |
387 | GLL | 0.8949 |
388 | OXL | 0.8949 |
389 | SS1 | 0.8948 |
390 | URP | 0.8947 |
391 | 2MI | 0.8947 |
392 | PCR | 0.8947 |
393 | AC6 | 0.8946 |
394 | AML | 0.8945 |
395 | TIU | 0.8944 |
396 | ISZ | 0.8943 |
397 | 4JN | 0.8941 |
398 | AKG | 0.8941 |
399 | DPF | 0.8941 |
400 | G3P | 0.8940 |
401 | ICN | 0.8940 |
402 | XBZ | 0.8939 |
403 | BHH | 0.8937 |
404 | FBM | 0.8936 |
405 | HIO | 0.8933 |
406 | XYD | 0.8932 |
407 | Z82 | 0.8931 |
408 | EGD | 0.8931 |
409 | 265 | 0.8930 |
410 | TZL | 0.8930 |
411 | 9TY | 0.8929 |
412 | 1LN | 0.8929 |
413 | TB6 | 0.8929 |
414 | 4ZE | 0.8929 |
415 | A1U | 0.8928 |
416 | 1KA | 0.8928 |
417 | Z6J | 0.8928 |
418 | IOL | 0.8926 |
419 | PG0 | 0.8926 |
420 | 8CL | 0.8925 |
421 | 1PT | 0.8925 |
422 | BE7 | 0.8924 |
423 | HHN | 0.8923 |
424 | GXV | 0.8923 |
425 | PXY | 0.8923 |
426 | JKE | 0.8922 |
427 | TTO | 0.8920 |
428 | 4H2 | 0.8920 |
429 | 5MH | 0.8919 |
430 | 47J | 0.8916 |
431 | 4JM | 0.8915 |
432 | AGK | 0.8915 |
433 | PAF | 0.8914 |
434 | P72 | 0.8913 |
435 | EFS | 0.8913 |
436 | 34A | 0.8912 |
437 | BEW | 0.8912 |
438 | DA1 | 0.8911 |
439 | 3NT | 0.8910 |
440 | 5MI | 0.8910 |
441 | HBD | 0.8909 |
442 | AX7 | 0.8908 |
443 | 270 | 0.8908 |
444 | 3OC | 0.8908 |
445 | HQE | 0.8906 |
446 | ES9 | 0.8905 |
447 | 5MB | 0.8905 |
448 | HZP | 0.8905 |
449 | 4MA | 0.8904 |
450 | POA | 0.8903 |
451 | 3SK | 0.8899 |
452 | NIZ | 0.8899 |
453 | FEH | 0.8899 |
454 | PYD | 0.8898 |
455 | ICP | 0.8898 |
456 | MNN | 0.8898 |
457 | 25R | 0.8897 |
458 | PLQ | 0.8895 |
459 | 1DV | 0.8895 |
460 | CIG | 0.8895 |
461 | AL0 | 0.8895 |
462 | GLY GLY | 0.8894 |
463 | MMU | 0.8894 |
464 | ABV | 0.8893 |
465 | 11S | 0.8893 |
466 | INO | 0.8893 |
467 | 5HN | 0.8890 |
468 | 2MP | 0.8889 |
469 | LG3 | 0.8888 |
470 | TH7 | 0.8888 |
471 | BU4 | 0.8885 |
472 | 23B | 0.8885 |
473 | SC2 | 0.8884 |
474 | 3SL | 0.8884 |
475 | 24T | 0.8884 |
476 | 32O | 0.8883 |
477 | GLU | 0.8882 |
478 | 1Y6 | 0.8881 |
479 | FPN | 0.8881 |
480 | 3HB | 0.8880 |
481 | 53C | 0.8880 |
482 | IZC | 0.8880 |
483 | VNJ | 0.8879 |
484 | MBN | 0.8879 |
485 | GJZ | 0.8879 |
486 | 3AB | 0.8878 |
487 | 1DQ | 0.8878 |
488 | 93K | 0.8877 |
489 | 4CS | 0.8877 |
490 | MPJ | 0.8877 |
491 | PRY | 0.8877 |
492 | F60 | 0.8876 |
493 | 1DJ | 0.8875 |
494 | 5H1 | 0.8873 |
495 | 285 | 0.8872 |
496 | RCO | 0.8872 |
497 | GAB | 0.8872 |
498 | 14O | 0.8871 |
499 | XM0 | 0.8871 |
500 | ISU | 0.8871 |
501 | BSX | 0.8868 |
502 | R67 | 0.8866 |
503 | PPR | 0.8863 |
504 | RNS | 0.8861 |
505 | 258 | 0.8861 |
506 | H3M | 0.8859 |
507 | ZZT | 0.8857 |
508 | DGN | 0.8856 |
509 | DHB | 0.8855 |
510 | FUB | 0.8855 |
511 | RUU | 0.8854 |
512 | FK1 | 0.8853 |
513 | 8GF | 0.8853 |
514 | 1P3 | 0.8853 |
515 | NSP | 0.8852 |
516 | LG5 | 0.8850 |
517 | 1GP | 0.8850 |
518 | 2K4 | 0.8849 |
519 | H4N | 0.8848 |
520 | TH0 | 0.8846 |
521 | F9P | 0.8846 |
522 | 24B | 0.8846 |
523 | HMU | 0.8846 |
524 | J1Z | 0.8845 |
525 | OVV | 0.8845 |
526 | E60 | 0.8844 |
527 | 268 | 0.8842 |
528 | HMH | 0.8840 |
529 | TDR | 0.8839 |
530 | JZ4 | 0.8839 |
531 | MXN | 0.8837 |
532 | GLN | 0.8835 |
533 | MLE | 0.8833 |
534 | MEQ | 0.8832 |
535 | CYT | 0.8831 |
536 | FOC | 0.8827 |
537 | 4AP | 0.8825 |
538 | MPD | 0.8825 |
539 | DMV | 0.8823 |
540 | IT2 | 0.8822 |
541 | 43M | 0.8820 |
542 | MEV | 0.8819 |
543 | PYZ | 0.8816 |
544 | NLP | 0.8812 |
545 | ATQ | 0.8811 |
546 | 1MC | 0.8809 |
547 | BRT | 0.8807 |
548 | DEN | 0.8806 |
549 | AEF | 0.8806 |
550 | 9TW | 0.8805 |
551 | 4NC | 0.8804 |
552 | WOT | 0.8804 |
553 | 6AI | 0.8804 |
554 | 3AP | 0.8801 |
555 | PLU | 0.8801 |
556 | PEQ | 0.8800 |
557 | BYZ | 0.8799 |
558 | PHU | 0.8799 |
559 | GBD | 0.8799 |
560 | BZ3 | 0.8799 |
561 | XIY | 0.8799 |
562 | WCE | 0.8797 |
563 | OXD | 0.8792 |
564 | TLD | 0.8791 |
565 | MYJ | 0.8791 |
566 | P7I | 0.8790 |
567 | ICC | 0.8789 |
568 | ES3 | 0.8788 |
569 | OXQ | 0.8787 |
570 | 2HO | 0.8783 |
571 | CHB | 0.8783 |
572 | 3BZ | 0.8782 |
573 | 2AP | 0.8782 |
574 | HVK | 0.8782 |
575 | TMZ | 0.8781 |
576 | PAC | 0.8781 |
577 | RNT | 0.8779 |
578 | 5UC | 0.8779 |
579 | 7A8 | 0.8778 |
580 | LZ1 | 0.8775 |
581 | I1E | 0.8772 |
582 | 4XX | 0.8770 |
583 | SAT | 0.8769 |
584 | K6V | 0.8767 |
585 | PRA | 0.8767 |
586 | P9P | 0.8766 |
587 | HPA | 0.8764 |
588 | I3A | 0.8762 |
589 | BHL | 0.8762 |
590 | GZ3 | 0.8761 |
591 | 8NY | 0.8760 |
592 | IHB | 0.8760 |
593 | 5OB | 0.8760 |
594 | PCT | 0.8759 |
595 | HL5 | 0.8759 |
596 | V55 | 0.8759 |
597 | IF7 | 0.8758 |
598 | BNF | 0.8754 |
599 | 2EH | 0.8754 |
600 | GYE | 0.8754 |
601 | PKU | 0.8752 |
602 | LNO | 0.8751 |
603 | QY9 | 0.8751 |
604 | TPA | 0.8751 |
605 | BAQ | 0.8750 |
606 | 1SH | 0.8745 |
607 | PZM | 0.8744 |
608 | NNO | 0.8743 |
609 | X1S | 0.8743 |
610 | MTD | 0.8742 |
611 | JZ6 | 0.8742 |
612 | DGJ | 0.8741 |
613 | LRH | 0.8739 |
614 | 5KX | 0.8738 |
615 | DAL | 0.8736 |
616 | KPL | 0.8735 |
617 | IND | 0.8734 |
618 | SW7 | 0.8734 |
619 | HRZ | 0.8733 |
620 | MUC | 0.8732 |
621 | GOJ | 0.8731 |
622 | 9PO | 0.8731 |
623 | I4B | 0.8731 |
624 | LDP | 0.8730 |
625 | UYA | 0.8728 |
626 | ACH | 0.8728 |
627 | KMH | 0.8727 |
628 | LAC | 0.8724 |
629 | 6M4 | 0.8724 |
630 | URQ | 0.8724 |
631 | MSF | 0.8722 |
632 | SHO | 0.8719 |
633 | DHS | 0.8716 |
634 | LGA | 0.8716 |
635 | QSB | 0.8714 |
636 | 4A3 | 0.8713 |
637 | OEM | 0.8712 |
638 | 5XC | 0.8711 |
639 | FHB | 0.8711 |
640 | M4T | 0.8710 |
641 | Q88 | 0.8710 |
642 | S2G | 0.8710 |
643 | JZ9 | 0.8710 |
644 | 4SV | 0.8710 |
645 | 1M2 | 0.8708 |
646 | GAL | 0.8707 |
647 | G4D | 0.8707 |
648 | BZF | 0.8706 |
649 | ONL | 0.8706 |
650 | 42J | 0.8706 |
651 | 8GC | 0.8701 |
652 | NYL | 0.8696 |
653 | ADE | 0.8696 |
654 | 8K2 | 0.8695 |
655 | 4P5 | 0.8692 |
656 | 4MZ | 0.8690 |
657 | 826 | 0.8687 |
658 | QFH | 0.8685 |
659 | MR1 | 0.8683 |
660 | 3Z7 | 0.8683 |
661 | 4JO | 0.8681 |
662 | DE5 | 0.8681 |
663 | XX2 | 0.8678 |
664 | BZI | 0.8677 |
665 | 6LW | 0.8676 |
666 | 2IT | 0.8676 |
667 | DHR | 0.8675 |
668 | RBJ | 0.8673 |
669 | SHA | 0.8670 |
670 | TMT | 0.8664 |
671 | SR1 | 0.8664 |
672 | MPH | 0.8662 |
673 | GBL | 0.8660 |
674 | HIS | 0.8657 |
675 | 4HM | 0.8655 |
676 | GGL | 0.8655 |
677 | F81 | 0.8651 |
678 | 6X8 | 0.8642 |
679 | 174 | 0.8641 |
680 | 1SA | 0.8640 |
681 | MD0 | 0.8636 |
682 | IUR | 0.8634 |
683 | 3PP | 0.8634 |
684 | 7WV | 0.8631 |
685 | 2CK | 0.8631 |
686 | 0CT | 0.8631 |
687 | 3HG | 0.8631 |
688 | 3V4 | 0.8630 |
689 | HSO | 0.8627 |
690 | ASC | 0.8625 |
691 | K34 | 0.8625 |
692 | 2AL | 0.8625 |
693 | 7MU | 0.8605 |
694 | 2CH | 0.8595 |
695 | TBP | 0.8593 |
696 | 264 | 0.8593 |
697 | ACA | 0.8593 |
698 | F9Y | 0.8590 |
699 | 4ZA | 0.8587 |
700 | LLQ | 0.8586 |
701 | HTS | 0.8584 |
702 | ZGL | 0.8575 |
703 | LT1 | 0.8566 |
704 | 4WL | 0.8556 |
705 | 2FT | 0.8551 |
706 | DPJ | 0.8541 |
707 | CRD | 0.8539 |
708 | 7HQ | 0.8537 |
709 | G3H | 0.8531 |
710 | N4B | 0.8523 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 5Y9 | 1.0289 |
2 | HGY | 1.0000 |
3 | NIS | 1.0000 |
4 | DAL | 1.0000 |
5 | OXD | 1.0000 |
6 | ALA | 1.0000 |
7 | BUO | 1.0000 |
8 | PYM | 1.0000 |
9 | ALQ | 1.0000 |
10 | PYR | 1.0000 |
11 | NAK | 1.0000 |
12 | OXL | 1.0000 |
13 | OXM | 1.0000 |
14 | 03W | 0.9885 |
15 | DGY | 0.9885 |
16 | TF4 | 0.9863 |
17 | HIU | 0.9844 |
18 | DSN | 0.9822 |
19 | SER | 0.9792 |
20 | MB3 | 0.9769 |
21 | 1AC | 0.9766 |
22 | C2N | 0.9761 |
23 | FAH | 0.9752 |
24 | AOA | 0.9747 |
25 | DCY | 0.9724 |
26 | HUI | 0.9723 |
27 | DE2 | 0.9721 |
28 | PPI | 0.9715 |
29 | DXX | 0.9713 |
30 | 2RA | 0.9707 |
31 | GLV | 0.9704 |
32 | CYS | 0.9696 |
33 | NIE | 0.9693 |
34 | SMB | 0.9687 |
35 | GLY | 0.9682 |
36 | GOA | 0.9670 |
37 | R3W | 0.9657 |
38 | HAE | 0.9650 |
39 | KSW | 0.9644 |
40 | AKR | 0.9644 |
41 | MLI | 0.9642 |
42 | 39J | 0.9640 |
43 | 3ZS | 0.9636 |
44 | 3PY | 0.9631 |
45 | 3OH | 0.9625 |
46 | 4AX | 0.9621 |
47 | HSL | 0.9616 |
48 | F50 | 0.9614 |
49 | 2KT | 0.9613 |
50 | 3MT | 0.9608 |
51 | DMI | 0.9605 |
52 | KG7 | 0.9603 |
53 | F3V | 0.9600 |
54 | ALF | 0.9597 |
55 | AGU | 0.9595 |
56 | BU4 | 0.9594 |
57 | HVB | 0.9588 |
58 | THR | 0.9586 |
59 | ABA | 0.9584 |
60 | SAR | 0.9582 |
61 | B20 | 0.9581 |
62 | GBL | 0.9580 |
63 | BMD | 0.9579 |
64 | BAL | 0.9577 |
65 | DBB | 0.9564 |
66 | DTI | 0.9563 |
67 | BNZ | 0.9563 |
68 | NHY | 0.9563 |
69 | 1CB | 0.9558 |
70 | 0PY | 0.9558 |
71 | MGX | 0.9554 |
72 | DMG | 0.9552 |
73 | 3TR | 0.9551 |
74 | BAQ | 0.9544 |
75 | A3B | 0.9541 |
76 | 61G | 0.9536 |
77 | PHZ | 0.9536 |
78 | TAY | 0.9536 |
79 | 6SP | 0.9535 |
80 | P1R | 0.9532 |
81 | 2A3 | 0.9530 |
82 | BUA | 0.9529 |
83 | ETF | 0.9526 |
84 | 2A1 | 0.9522 |
85 | TMO | 0.9521 |
86 | HOW | 0.9508 |
87 | MMZ | 0.9505 |
88 | 1MZ | 0.9502 |
89 | ATO | 0.9501 |
90 | AMT | 0.9494 |
91 | 2MZ | 0.9493 |
92 | PPF | 0.9490 |
93 | IVA | 0.9489 |
94 | XAP | 0.9483 |
95 | TSZ | 0.9482 |
96 | 4MZ | 0.9482 |
97 | BUQ | 0.9479 |
98 | NMU | 0.9471 |
99 | PXO | 0.9463 |
100 | GOL | 0.9462 |
101 | 03S | 0.9461 |
102 | MR3 | 0.9458 |
103 | CXL | 0.9456 |
104 | CYH | 0.9456 |
105 | BXA | 0.9455 |
106 | MLA | 0.9446 |
107 | ATQ | 0.9443 |
108 | JZ6 | 0.9443 |
109 | 2AI | 0.9443 |
110 | HSW | 0.9442 |
111 | HLT | 0.9433 |
112 | 3GR | 0.9426 |
113 | 3HR | 0.9423 |
114 | EGD | 0.9418 |
115 | BRP | 0.9417 |
116 | J3K | 0.9416 |
117 | PZO | 0.9410 |
118 | 5KX | 0.9403 |
119 | 9A4 | 0.9399 |
120 | IPH | 0.9395 |
121 | BF4 | 0.9394 |
122 | 2HP | 0.9392 |
123 | FPO | 0.9392 |
124 | 2AP | 0.9390 |
125 | HVK | 0.9390 |
126 | MBN | 0.9383 |
127 | MEU | 0.9379 |
128 | TRI | 0.9378 |
129 | 3BB | 0.9376 |
130 | 3AP | 0.9371 |
131 | 5MP | 0.9371 |
132 | SLP | 0.9371 |
133 | 7EX | 0.9368 |
134 | C5J | 0.9361 |
135 | TBU | 0.9357 |
136 | BUB | 0.9355 |
137 | HUH | 0.9353 |
138 | MZY | 0.9350 |
139 | HV2 | 0.9348 |
140 | 3CL | 0.9347 |
141 | IMD | 0.9345 |
142 | A2Q | 0.9345 |
143 | BXO | 0.9345 |
144 | TB0 | 0.9342 |
145 | 2IM | 0.9338 |
146 | MTG | 0.9334 |
147 | HYN | 0.9334 |
148 | LGA | 0.9332 |
149 | PO4 | 0.9331 |
150 | L60 | 0.9324 |
151 | 9PO | 0.9323 |
152 | PYZ | 0.9322 |
153 | HRZ | 0.9320 |
154 | GXE | 0.9319 |
155 | BYZ | 0.9317 |
156 | HAI | 0.9315 |
157 | MRY | 0.9315 |
158 | 8CL | 0.9309 |
159 | MLM | 0.9307 |
160 | TAN | 0.9300 |
161 | GB | 0.9296 |
162 | 93Q | 0.9294 |
163 | V1L | 0.9294 |
164 | ES3 | 0.9292 |
165 | 2HA | 0.9291 |
166 | 3HL | 0.9291 |
167 | HHN | 0.9289 |
168 | 23W | 0.9280 |
169 | 4AP | 0.9277 |
170 | LER | 0.9272 |
171 | 24T | 0.9270 |
172 | FUS | 0.9270 |
173 | 3ZQ | 0.9269 |
174 | CNH | 0.9265 |
175 | WOT | 0.9263 |
176 | L89 | 0.9262 |
177 | GXV | 0.9259 |
178 | CAQ | 0.9257 |
179 | AAE | 0.9257 |
180 | DTL | 0.9256 |
181 | VSO | 0.9250 |
182 | CP2 | 0.9248 |
183 | NVI | 0.9247 |
184 | 192 | 0.9246 |
185 | TTO | 0.9244 |
186 | JZ0 | 0.9242 |
187 | 76X | 0.9240 |
188 | 938 | 0.9239 |
189 | 1AN | 0.9232 |
190 | XIX | 0.9230 |
191 | 93B | 0.9225 |
192 | 2AF | 0.9224 |
193 | FP2 | 0.9220 |
194 | 8LG | 0.9220 |
195 | OXE | 0.9218 |
196 | 1BP | 0.9216 |
197 | 4XX | 0.9210 |
198 | CHT | 0.9208 |
199 | PRI | 0.9203 |
200 | 2CH | 0.9201 |
201 | 92Z | 0.9201 |
202 | PIH | 0.9200 |
203 | 2PA | 0.9196 |
204 | HTS | 0.9193 |
205 | TCV | 0.9181 |
206 | HGW | 0.9179 |
207 | CEJ | 0.9173 |
208 | P2D | 0.9169 |
209 | BEW | 0.9164 |
210 | 40O | 0.9162 |
211 | TMT | 0.9159 |
212 | FW5 | 0.9156 |
213 | ITU | 0.9155 |
214 | TMZ | 0.9142 |
215 | 25T | 0.9131 |
216 | 8X3 | 0.9115 |
217 | MZ0 | 0.9114 |
218 | DCD | 0.9111 |
219 | E60 | 0.9110 |
220 | SSN | 0.9106 |
221 | 4DX | 0.9106 |
222 | XPO | 0.9105 |
223 | D2P | 0.9103 |
224 | J1Z | 0.9103 |
225 | 280 | 0.9101 |
226 | PEJ | 0.9099 |
227 | YAN | 0.9098 |
228 | 8FH | 0.9098 |
229 | SGL | 0.9086 |
230 | PRS | 0.9085 |
231 | TAU | 0.9084 |
232 | ART | 0.9084 |
233 | WO6 | 0.9082 |
234 | 6X8 | 0.9081 |
235 | 278 | 0.9072 |
236 | TFB | 0.9068 |
237 | MMQ | 0.9065 |
238 | H3M | 0.9056 |
239 | 285 | 0.9043 |
240 | BAE | 0.9037 |
241 | FJO | 0.9035 |
242 | MMU | 0.9031 |
243 | BVG | 0.9029 |
244 | HDA | 0.9023 |
245 | DTT | 0.9019 |
246 | 9XN | 0.9015 |
247 | FMS | 0.9011 |
248 | IQ0 | 0.8990 |
249 | ETM | 0.8988 |
250 | DPR | 0.8985 |
251 | 1DH | 0.8984 |
252 | URA | 0.8983 |
253 | TFS | 0.8981 |
254 | 2HE | 0.8971 |
255 | AKB | 0.8969 |
256 | 2EZ | 0.8967 |
257 | DUC | 0.8964 |
258 | PRO | 0.8963 |
259 | LG3 | 0.8962 |
260 | VAL | 0.8954 |
261 | FCN | 0.8950 |
262 | HPY | 0.8948 |
263 | RP7 | 0.8946 |
264 | POA | 0.8944 |
265 | 8GF | 0.8944 |
266 | 26D | 0.8935 |
267 | CYT | 0.8935 |
268 | ICN | 0.8930 |
269 | ODV | 0.8928 |
270 | DTU | 0.8918 |
271 | 9SB | 0.8917 |
272 | P7I | 0.8915 |
273 | HCS | 0.8913 |
274 | ALO | 0.8909 |
275 | EDO | 0.8904 |
276 | BVC | 0.8904 |
277 | MSF | 0.8902 |
278 | PUT | 0.8896 |
279 | NCM | 0.8895 |
280 | 25R | 0.8894 |
281 | CSS | 0.8893 |
282 | LG5 | 0.8893 |
283 | HSE | 0.8893 |
284 | 2PC | 0.8893 |
285 | PAE | 0.8889 |
286 | BVF | 0.8886 |
287 | CRS | 0.8884 |
288 | BTL | 0.8878 |
289 | HVQ | 0.8876 |
290 | DAB | 0.8875 |
291 | 9X7 | 0.8872 |
292 | RCO | 0.8869 |
293 | MAK | 0.8868 |
294 | TZC | 0.8867 |
295 | CIG | 0.8866 |
296 | DA1 | 0.8864 |
297 | FOA | 0.8861 |
298 | HHQ | 0.8861 |
299 | LG4 | 0.8860 |
300 | RSF | 0.8857 |
301 | 273 | 0.8850 |
302 | HGQ | 0.8848 |
303 | NVA | 0.8845 |
304 | JBN | 0.8843 |
305 | HQE | 0.8842 |
306 | CRD | 0.8842 |
307 | PCR | 0.8837 |
308 | B3R | 0.8830 |
309 | PYC | 0.8818 |
310 | ICC | 0.8818 |
311 | 3CH | 0.8815 |
312 | 4JU | 0.8812 |
313 | 284 | 0.8812 |
314 | 4HS | 0.8808 |
315 | 1XX | 0.8807 |
316 | 4JN | 0.8798 |
317 | 4H2 | 0.8796 |
318 | M3T | 0.8796 |
319 | BML | 0.8793 |
320 | 4CH | 0.8792 |
321 | IOL | 0.8791 |
322 | TP5 | 0.8789 |
323 | NEQ | 0.8785 |
324 | IDH | 0.8779 |
325 | PXY | 0.8778 |
326 | YHO | 0.8773 |
327 | FPN | 0.8769 |
328 | CP | 0.8761 |
329 | PLQ | 0.8760 |
330 | ECE | 0.8759 |
331 | 69O | 0.8752 |
332 | T2C | 0.8748 |
333 | 1DU | 0.8748 |
334 | 2MH | 0.8727 |
335 | 9YL | 0.8724 |
336 | SYN | 0.8715 |
337 | TZZ | 0.8710 |
338 | SAT | 0.8708 |
339 | OSM | 0.8702 |
340 | ISU | 0.8700 |
341 | 3SY | 0.8685 |
342 | URF | 0.8677 |
343 | ACT | 0.8663 |
344 | 282 | 0.8660 |
345 | MTD | 0.8632 |
346 | NOE | 0.8611 |
347 | WBU | 0.8600 |
348 | NBE | 0.8595 |
349 | ABN | 0.8588 |
350 | APY | 0.8584 |
351 | JZ3 | 0.8581 |
352 | AF3 | 0.8579 |
353 | BRJ | 0.8577 |
354 | HZP | 0.8543 |
This union binding pocket(no: 1) in the query (biounit: 6aid.bio1) has 5 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6aid.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |