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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 6 families. | |||||
1 | 6HAZ | - | FX5 | C14 H18 N5 O | c1ccc(c(c1.... |
2 | 3UVD | - | MB3 | C5 H9 N O | CN1CCCC1=O |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 5II1 | - | 6BL | C11 H8 N2 O2 | Cc1c-2c([n.... |
2 | 5HRV | - | 64C | C12 H10 N2 O2 | CCc1c-2c([.... |
3 | 3MB4 | - | MB3 | C5 H9 N O | CN1CCCC1=O |
4 | 5FH6 | - | 5XM | C17 H21 N3 O | c1ccc2c(c1.... |
5 | 5II2 | - | LU2 | C15 H10 O6 | c1cc(c(cc1.... |
6 | 5FH8 | Kd = 170 nM | 5XK | C17 H19 Cl N2 O | CCC(CC)Cc1.... |
7 | 5IID | - | 6BK | C15 H10 O5 | c1cc(c2c(c.... |
8 | 5HRW | - | 64E | C13 H12 N2 O2 | CCCc1c-2c(.... |
9 | 5HRX | - | 64F | C14 H14 N2 O2 | CCCCc1c-2c.... |
10 | 5FH7 | Kd = 137 nM | 5XL | C14 H14 Cl N3 O | CN(C)Cc1cc.... |
11 | 6HAZ | - | FX5 | C14 H18 N5 O | c1ccc(c(c1.... |
12 | 3UVD | - | MB3 | C5 H9 N O | CN1CCCC1=O |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MB3 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | HSL | 1.0000 |
2 | 4AX | 1.0000 |
3 | KSW | 1.0000 |
4 | MMZ | 1.0000 |
5 | 40O | 0.9992 |
6 | DTI | 0.9966 |
7 | 3ZQ | 0.9962 |
8 | DMI | 0.9907 |
9 | OXL | 0.9906 |
10 | CXL | 0.9901 |
11 | CYH | 0.9901 |
12 | CAQ | 0.9883 |
13 | HAI | 0.9879 |
14 | OXM | 0.9870 |
15 | FP2 | 0.9847 |
16 | 285 | 0.9846 |
17 | OXD | 0.9829 |
18 | IPH | 0.9825 |
19 | 76X | 0.9822 |
20 | 1AN | 0.9811 |
21 | L89 | 0.9805 |
22 | 938 | 0.9803 |
23 | 92Z | 0.9803 |
24 | 93Q | 0.9796 |
25 | JZ0 | 0.9796 |
26 | A2Q | 0.9793 |
27 | 8LG | 0.9792 |
28 | 4DX | 0.9786 |
29 | 2AF | 0.9785 |
30 | BEW | 0.9785 |
31 | PYR | 0.9783 |
32 | 2CH | 0.9778 |
33 | LAC | 0.9769 |
34 | OXE | 0.9766 |
35 | 7EX | 0.9764 |
36 | HTS | 0.9755 |
37 | H3M | 0.9753 |
38 | SER | 0.9746 |
39 | GOL | 0.9739 |
40 | 280 | 0.9716 |
41 | DSN | 0.9710 |
42 | LGA | 0.9710 |
43 | BAQ | 0.9704 |
44 | YAN | 0.9698 |
45 | DXX | 0.9694 |
46 | 2OP | 0.9689 |
47 | V1L | 0.9685 |
48 | 9PO | 0.9679 |
49 | 6X8 | 0.9674 |
50 | 2IM | 0.9672 |
51 | L60 | 0.9672 |
52 | 2RA | 0.9670 |
53 | MBN | 0.9669 |
54 | HGY | 0.9664 |
55 | 3AP | 0.9663 |
56 | HVK | 0.9662 |
57 | 2AP | 0.9662 |
58 | 93B | 0.9660 |
59 | HRZ | 0.9656 |
60 | DGY | 0.9655 |
61 | 03W | 0.9655 |
62 | ALA | 0.9650 |
63 | 1CB | 0.9647 |
64 | THR | 0.9643 |
65 | WOT | 0.9641 |
66 | 6SP | 0.9638 |
67 | 278 | 0.9632 |
68 | 4XX | 0.9623 |
69 | DUC | 0.9623 |
70 | A3B | 0.9621 |
71 | DBB | 0.9621 |
72 | 4AP | 0.9620 |
73 | ALQ | 0.9615 |
74 | GBL | 0.9615 |
75 | SMB | 0.9612 |
76 | NIS | 0.9610 |
77 | HYN | 0.9599 |
78 | HIU | 0.9594 |
79 | URA | 0.9594 |
80 | HBS | 0.9592 |
81 | NAK | 0.9591 |
82 | DAL | 0.9590 |
83 | ATQ | 0.9589 |
84 | 2KT | 0.9584 |
85 | HBR | 0.9584 |
86 | AMT | 0.9580 |
87 | 8CL | 0.9580 |
88 | HUI | 0.9580 |
89 | GXE | 0.9579 |
90 | 26D | 0.9578 |
91 | 3PY | 0.9568 |
92 | HPY | 0.9563 |
93 | XYS | 0.9560 |
94 | MZY | 0.9548 |
95 | TF4 | 0.9548 |
96 | PYM | 0.9544 |
97 | HHN | 0.9544 |
98 | 284 | 0.9535 |
99 | 3TR | 0.9534 |
100 | TTO | 0.9533 |
101 | CEJ | 0.9526 |
102 | 24T | 0.9520 |
103 | BNZ | 0.9509 |
104 | 0PY | 0.9506 |
105 | CRS | 0.9502 |
106 | RP7 | 0.9501 |
107 | B20 | 0.9500 |
108 | P1R | 0.9497 |
109 | CYT | 0.9497 |
110 | PIH | 0.9496 |
111 | GXV | 0.9495 |
112 | PHZ | 0.9493 |
113 | 3MT | 0.9488 |
114 | HGQ | 0.9488 |
115 | 39J | 0.9487 |
116 | HGW | 0.9487 |
117 | TMT | 0.9482 |
118 | 5Y9 | 0.9481 |
119 | XIX | 0.9475 |
120 | DTL | 0.9473 |
121 | BUO | 0.9472 |
122 | XYP | 0.9471 |
123 | LG3 | 0.9470 |
124 | TMZ | 0.9468 |
125 | IDH | 0.9467 |
126 | 8GF | 0.9463 |
127 | CIG | 0.9459 |
128 | JZ3 | 0.9457 |
129 | 1AC | 0.9456 |
130 | HOW | 0.9452 |
131 | 1XX | 0.9449 |
132 | 2MZ | 0.9448 |
133 | 5KX | 0.9446 |
134 | KG7 | 0.9446 |
135 | 2AI | 0.9446 |
136 | 5MP | 0.9444 |
137 | MR3 | 0.9439 |
138 | 1MZ | 0.9434 |
139 | 3GR | 0.9429 |
140 | 3ZS | 0.9425 |
141 | LG5 | 0.9421 |
142 | RSF | 0.9418 |
143 | CYS | 0.9416 |
144 | BVF | 0.9416 |
145 | DAB | 0.9414 |
146 | RCO | 0.9410 |
147 | C2N | 0.9406 |
148 | JZ6 | 0.9406 |
149 | 4MZ | 0.9398 |
150 | 286 | 0.9391 |
151 | DCY | 0.9389 |
152 | 3CH | 0.9388 |
153 | ECE | 0.9384 |
154 | R8A | 0.9379 |
155 | NK | 0.9375 |
156 | HEW | 0.9373 |
157 | NEQ | 0.9372 |
158 | JZ1 | 0.9372 |
159 | SYN | 0.9367 |
160 | R2B | 0.9366 |
161 | B3R | 0.9365 |
162 | YHO | 0.9362 |
163 | ES3 | 0.9360 |
164 | DMG | 0.9356 |
165 | M3T | 0.9355 |
166 | 25T | 0.9355 |
167 | 4H2 | 0.9345 |
168 | URF | 0.9337 |
169 | ABA | 0.9333 |
170 | BYZ | 0.9332 |
171 | MLI | 0.9332 |
172 | MZ0 | 0.9325 |
173 | LER | 0.9322 |
174 | ICC | 0.9322 |
175 | 6UA | 0.9319 |
176 | WBU | 0.9319 |
177 | 2DR | 0.9319 |
178 | HHQ | 0.9317 |
179 | MRY | 0.9313 |
180 | MLA | 0.9309 |
181 | BU4 | 0.9308 |
182 | 4CH | 0.9297 |
183 | 4JU | 0.9292 |
184 | 1DH | 0.9290 |
185 | TDR | 0.9290 |
186 | 2MH | 0.9288 |
187 | NVI | 0.9288 |
188 | ALO | 0.9285 |
189 | PYZ | 0.9280 |
190 | E60 | 0.9276 |
191 | 23W | 0.9276 |
192 | 3FA | 0.9274 |
193 | 3MC | 0.9269 |
194 | PYG | 0.9266 |
195 | 1PT | 0.9265 |
196 | FFP | 0.9264 |
197 | MEU | 0.9259 |
198 | J1Z | 0.9259 |
199 | A1U | 0.9257 |
200 | GMN | 0.9255 |
201 | FW5 | 0.9252 |
202 | AMC | 0.9249 |
203 | ICP | 0.9243 |
204 | MBD | 0.9242 |
205 | 6MH | 0.9242 |
206 | 3OH | 0.9241 |
207 | PYD | 0.9240 |
208 | TFB | 0.9237 |
209 | SGL | 0.9236 |
210 | 1AB | 0.9235 |
211 | 27Y | 0.9233 |
212 | 25R | 0.9231 |
213 | QOS | 0.9229 |
214 | 2C9 | 0.9228 |
215 | EDG | 0.9227 |
216 | FPY | 0.9224 |
217 | 2MY | 0.9223 |
218 | FLM | 0.9217 |
219 | 0R0 | 0.9214 |
220 | D2P | 0.9213 |
221 | FAH | 0.9212 |
222 | BR9 | 0.9211 |
223 | XYD | 0.9206 |
224 | 2CM | 0.9205 |
225 | MWJ | 0.9202 |
226 | 4JJ | 0.9202 |
227 | PCR | 0.9200 |
228 | 1MC | 0.9200 |
229 | 3CE | 0.9200 |
230 | HLT | 0.9199 |
231 | 4HO | 0.9197 |
232 | C5J | 0.9197 |
233 | MCT | 0.9196 |
234 | 5UC | 0.9193 |
235 | VAL | 0.9192 |
236 | 47J | 0.9192 |
237 | APY | 0.9191 |
238 | WDL | 0.9189 |
239 | 2AC | 0.9189 |
240 | 4CL | 0.9188 |
241 | XBZ | 0.9187 |
242 | MWM | 0.9186 |
243 | TM4 | 0.9184 |
244 | IQ0 | 0.9179 |
245 | HQE | 0.9178 |
246 | 4ZE | 0.9178 |
247 | MZG | 0.9178 |
248 | JZ2 | 0.9176 |
249 | PRI | 0.9172 |
250 | 5JC | 0.9171 |
251 | TM7 | 0.9171 |
252 | 0TR | 0.9170 |
253 | DA1 | 0.9164 |
254 | 275 | 0.9163 |
255 | ABN | 0.9163 |
256 | HAE | 0.9162 |
257 | 3MH | 0.9160 |
258 | AKB | 0.9156 |
259 | 1MR | 0.9155 |
260 | BML | 0.9154 |
261 | LG4 | 0.9152 |
262 | AX2 | 0.9151 |
263 | DUB | 0.9150 |
264 | GVH | 0.9150 |
265 | 282 | 0.9150 |
266 | 2HA | 0.9149 |
267 | BVG | 0.9149 |
268 | FPI | 0.9144 |
269 | 2MP | 0.9144 |
270 | KIV | 0.9142 |
271 | PXY | 0.9142 |
272 | PLQ | 0.9141 |
273 | 2YU | 0.9140 |
274 | HT4 | 0.9139 |
275 | 5MH | 0.9138 |
276 | 34A | 0.9138 |
277 | GLY | 0.9134 |
278 | 5ZE | 0.9134 |
279 | 3AY | 0.9133 |
280 | BAL | 0.9130 |
281 | MLM | 0.9128 |
282 | PYF | 0.9128 |
283 | 2ZX | 0.9127 |
284 | GOA | 0.9127 |
285 | GLV | 0.9126 |
286 | FPN | 0.9126 |
287 | MLT | 0.9125 |
288 | PYJ | 0.9124 |
289 | BVC | 0.9123 |
290 | 4HS | 0.9121 |
291 | 4JP | 0.9116 |
292 | MPI | 0.9116 |
293 | IND | 0.9110 |
294 | TH0 | 0.9110 |
295 | PY7 | 0.9109 |
296 | HBX | 0.9109 |
297 | Y8I | 0.9108 |
298 | 43M | 0.9108 |
299 | 13X | 0.9106 |
300 | 4JO | 0.9106 |
301 | LXC | 0.9101 |
302 | MAK | 0.9097 |
303 | AOA | 0.9096 |
304 | 4JN | 0.9088 |
305 | 9CL | 0.9088 |
306 | IOL | 0.9086 |
307 | F3V | 0.9084 |
308 | Z6J | 0.9082 |
309 | HVQ | 0.9081 |
310 | PPI | 0.9078 |
311 | IDM | 0.9078 |
312 | NIE | 0.9077 |
313 | 94N | 0.9075 |
314 | YTB | 0.9074 |
315 | 64K | 0.9073 |
316 | 0CT | 0.9071 |
317 | 2EZ | 0.9071 |
318 | NBE | 0.9068 |
319 | IUR | 0.9064 |
320 | 7CZ | 0.9062 |
321 | AHR | 0.9060 |
322 | NCM | 0.9057 |
323 | 5AN | 0.9055 |
324 | ASP | 0.9055 |
325 | BR8 | 0.9053 |
326 | DEN | 0.9053 |
327 | DCD | 0.9052 |
328 | TAY | 0.9049 |
329 | B24 | 0.9048 |
330 | RIB | 0.9047 |
331 | ARA | 0.9042 |
332 | LDU | 0.9040 |
333 | 0MK | 0.9032 |
334 | 12M | 0.9032 |
335 | BUQ | 0.9030 |
336 | ABE | 0.9028 |
337 | 61G | 0.9026 |
338 | ERH | 0.9024 |
339 | JZ9 | 0.9024 |
340 | ALF | 0.9023 |
341 | 2PC | 0.9023 |
342 | HSE | 0.9022 |
343 | TLD | 0.9017 |
344 | AKR | 0.9016 |
345 | SAR | 0.9011 |
346 | BZI | 0.9010 |
347 | PRO | 0.9008 |
348 | 0R1 | 0.9000 |
349 | 9YL | 0.8996 |
350 | BZF | 0.8995 |
351 | BUA | 0.8992 |
352 | P2D | 0.8991 |
353 | ARB | 0.8990 |
354 | DTU | 0.8989 |
355 | PPF | 0.8984 |
356 | PRS | 0.8984 |
357 | 5AC | 0.8984 |
358 | 2A1 | 0.8983 |
359 | F50 | 0.8982 |
360 | 192 | 0.8979 |
361 | J3K | 0.8978 |
362 | 9TY | 0.8976 |
363 | HY3 | 0.8973 |
364 | ICN | 0.8972 |
365 | BAE | 0.8970 |
366 | LZ1 | 0.8970 |
367 | 51F | 0.8965 |
368 | T2C | 0.8964 |
369 | R3W | 0.8962 |
370 | RIP | 0.8954 |
371 | OXQ | 0.8952 |
372 | PZO | 0.8951 |
373 | TRI | 0.8948 |
374 | OHG | 0.8948 |
375 | OXZ | 0.8940 |
376 | 2HE | 0.8940 |
377 | FUB | 0.8936 |
378 | CHT | 0.8935 |
379 | AZF | 0.8933 |
380 | HUH | 0.8932 |
381 | GBD | 0.8931 |
382 | NHY | 0.8930 |
383 | 6HQ | 0.8930 |
384 | IFM | 0.8928 |
385 | 9X7 | 0.8927 |
386 | IMD | 0.8927 |
387 | M2H | 0.8925 |
388 | GAG | 0.8925 |
389 | 7HP | 0.8924 |
390 | HVB | 0.8923 |
391 | DPR | 0.8922 |
392 | ADE | 0.8921 |
393 | AGU | 0.8918 |
394 | RUU | 0.8917 |
395 | H76 | 0.8916 |
396 | FOA | 0.8911 |
397 | AAE | 0.8910 |
398 | MMU | 0.8908 |
399 | SEJ | 0.8907 |
400 | HPA | 0.8896 |
401 | DFU | 0.8894 |
402 | JBN | 0.8891 |
403 | FUC | 0.8888 |
404 | FUF | 0.8886 |
405 | TCZ | 0.8881 |
406 | 60P | 0.8881 |
407 | 260 | 0.8880 |
408 | MGX | 0.8880 |
409 | ODV | 0.8878 |
410 | 2XX | 0.8868 |
411 | 3XX | 0.8864 |
412 | HCS | 0.8857 |
413 | SAL | 0.8857 |
414 | TAR | 0.8856 |
415 | PAV | 0.8855 |
416 | PYC | 0.8855 |
417 | FUL | 0.8854 |
418 | 9HX | 0.8853 |
419 | 69O | 0.8849 |
420 | C2A | 0.8847 |
421 | MZW | 0.8847 |
422 | FLA | 0.8845 |
423 | TSZ | 0.8839 |
424 | 3Z7 | 0.8839 |
425 | NMU | 0.8836 |
426 | SMV | 0.8836 |
427 | 9DA | 0.8833 |
428 | BRP | 0.8828 |
429 | 6MP | 0.8824 |
430 | DFB | 0.8820 |
431 | CIZ | 0.8815 |
432 | ES4 | 0.8814 |
433 | 265 | 0.8813 |
434 | O7U | 0.8812 |
435 | 3HR | 0.8812 |
436 | BTE | 0.8807 |
437 | BP9 | 0.8806 |
438 | CRN | 0.8805 |
439 | FYU | 0.8800 |
440 | JAB | 0.8798 |
441 | ITN | 0.8797 |
442 | 32O | 0.8793 |
443 | EGD | 0.8793 |
444 | FCA | 0.8790 |
445 | BP1 | 0.8787 |
446 | 10L | 0.8783 |
447 | TZE | 0.8783 |
448 | PM6 | 0.8782 |
449 | F05 | 0.8781 |
450 | AGK | 0.8778 |
451 | TZC | 0.8778 |
452 | IP0 | 0.8776 |
453 | ETF | 0.8775 |
454 | FPK | 0.8774 |
455 | JIF | 0.8770 |
456 | ASN | 0.8769 |
457 | NSP | 0.8768 |
458 | BE2 | 0.8764 |
459 | 7WA | 0.8761 |
460 | 150 | 0.8760 |
461 | ATO | 0.8759 |
462 | T6C | 0.8758 |
463 | 1DU | 0.8755 |
464 | FP1 | 0.8754 |
465 | HMH | 0.8752 |
466 | L3Q | 0.8751 |
467 | TCV | 0.8750 |
468 | 261 | 0.8748 |
469 | F81 | 0.8747 |
470 | 9EW | 0.8745 |
471 | 1LN | 0.8743 |
472 | ZZT | 0.8739 |
473 | F4Z | 0.8736 |
474 | 24B | 0.8735 |
475 | CP | 0.8731 |
476 | TLA | 0.8730 |
477 | VNJ | 0.8727 |
478 | TP5 | 0.8726 |
479 | JBE | 0.8724 |
480 | 1WG | 0.8722 |
481 | KYD | 0.8721 |
482 | 3U4 | 0.8720 |
483 | PBE | 0.8720 |
484 | 7MH | 0.8718 |
485 | 23A | 0.8716 |
486 | KPL | 0.8716 |
487 | SWD | 0.8711 |
488 | HV2 | 0.8711 |
489 | CP2 | 0.8709 |
490 | LMR | 0.8705 |
491 | 23B | 0.8704 |
492 | 4SV | 0.8703 |
493 | ES6 | 0.8703 |
494 | 6M4 | 0.8698 |
495 | 45C | 0.8698 |
496 | 1BP | 0.8688 |
497 | FCN | 0.8680 |
498 | BEN | 0.8679 |
499 | 2CQ | 0.8675 |
500 | BEZ | 0.8673 |
501 | TH7 | 0.8672 |
502 | FMS | 0.8670 |
503 | HMU | 0.8668 |
504 | PAE | 0.8667 |
505 | 3SK | 0.8666 |
506 | 4ZC | 0.8665 |
507 | HBA | 0.8665 |
508 | TC7 | 0.8662 |
509 | AUD | 0.8661 |
510 | 1WD | 0.8653 |
511 | JZ4 | 0.8649 |
512 | PAF | 0.8647 |
513 | GOO | 0.8646 |
514 | P3K | 0.8643 |
515 | NCA | 0.8642 |
516 | BXA | 0.8640 |
517 | 0RW | 0.8631 |
518 | JZ5 | 0.8630 |
519 | SVN | 0.8630 |
520 | 273 | 0.8626 |
521 | JKE | 0.8612 |
522 | HSW | 0.8608 |
523 | ZZ3 | 0.8608 |
524 | 4VP | 0.8597 |
525 | M58 | 0.8588 |
526 | 8H8 | 0.8586 |
527 | 6PC | 0.8583 |
528 | VGL | 0.8575 |
529 | NBZ | 0.8575 |
530 | PZA | 0.8571 |
531 | 35C | 0.8567 |
532 | 4JL | 0.8563 |
533 | C21 | 0.8542 |
534 | TBP | 0.8530 |
This union binding pocket(no: 1) in the query (biounit: 3uvd.bio1) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |