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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 197 families. | |||||
1 | 3G4W | - | 8CL | C6 H5 Cl | c1ccc(cc1).... |
2 | 3G4V | - | 7CL | C5 H11 Cl | CCCCCCl |
3 | 3G4U | - | 0CL | C3 H6 Cl2 | C(CCl)CCl |
4 | 3G52 | - | CEE | C8 H9 Cl | c1ccc(cc1).... |
5 | 3G4Y | - | 9CL | C7 H7 Cl | c1ccc(cc1).... |
6 | 3G4Q | - | MCH | C H Cl3 | C(Cl)(Cl)C.... |
7 | 3G53 | - | LT1 | C9 H11 Cl | c1ccc(cc1).... |
8 | 3G4R | - | DCE | C2 H4 Cl2 | C(CCl)Cl |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 165 families. | |||||
1 | 3G4W | - | 8CL | C6 H5 Cl | c1ccc(cc1).... |
2 | 3G4V | - | 7CL | C5 H11 Cl | CCCCCCl |
3 | 3G4U | - | 0CL | C3 H6 Cl2 | C(CCl)CCl |
4 | 3G52 | - | CEE | C8 H9 Cl | c1ccc(cc1).... |
5 | 3G4Y | - | 9CL | C7 H7 Cl | c1ccc(cc1).... |
6 | 3G4Q | - | MCH | C H Cl3 | C(Cl)(Cl)C.... |
7 | 3G53 | - | LT1 | C9 H11 Cl | c1ccc(cc1).... |
8 | 3G4R | - | DCE | C2 H4 Cl2 | C(CCl)Cl |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 8CL | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MBN | 1.0000 |
2 | TTO | 1.0000 |
3 | GXE | 1.0000 |
4 | HHN | 1.0000 |
5 | IPH | 1.0000 |
6 | HAI | 1.0000 |
7 | CXL | 1.0000 |
8 | CYH | 1.0000 |
9 | V1L | 1.0000 |
10 | WOT | 0.9978 |
11 | PIH | 0.9969 |
12 | LGA | 0.9966 |
13 | HGW | 0.9963 |
14 | 2AP | 0.9958 |
15 | HVK | 0.9957 |
16 | 3AP | 0.9954 |
17 | 2IM | 0.9946 |
18 | 4AP | 0.9941 |
19 | HRZ | 0.9936 |
20 | A2Q | 0.9934 |
21 | 9PO | 0.9919 |
22 | 93B | 0.9880 |
23 | 282 | 0.9821 |
24 | FPI | 0.9808 |
25 | AMC | 0.9805 |
26 | 7EX | 0.9800 |
27 | 3MT | 0.9761 |
28 | 1CB | 0.9759 |
29 | PYZ | 0.9742 |
30 | L60 | 0.9730 |
31 | ABN | 0.9715 |
32 | 4JU | 0.9707 |
33 | 4MZ | 0.9704 |
34 | 5MP | 0.9694 |
35 | BAQ | 0.9690 |
36 | CRS | 0.9678 |
37 | BYZ | 0.9677 |
38 | MZY | 0.9673 |
39 | HBX | 0.9671 |
40 | MZ0 | 0.9666 |
41 | PYF | 0.9662 |
42 | 2MZ | 0.9659 |
43 | SYN | 0.9655 |
44 | AMT | 0.9652 |
45 | 284 | 0.9651 |
46 | ATQ | 0.9650 |
47 | 2MH | 0.9650 |
48 | NBE | 0.9645 |
49 | HPY | 0.9643 |
50 | 5KX | 0.9642 |
51 | 4HS | 0.9640 |
52 | 3TR | 0.9638 |
53 | LG4 | 0.9635 |
54 | 1DH | 0.9628 |
55 | PY7 | 0.9626 |
56 | 1MZ | 0.9626 |
57 | PCR | 0.9624 |
58 | ECE | 0.9622 |
59 | ES3 | 0.9619 |
60 | NVI | 0.9617 |
61 | HSL | 0.9615 |
62 | LG3 | 0.9614 |
63 | 4XX | 0.9611 |
64 | RCO | 0.9609 |
65 | URA | 0.9606 |
66 | BML | 0.9602 |
67 | DGY | 0.9601 |
68 | CYT | 0.9595 |
69 | E60 | 0.9594 |
70 | MMZ | 0.9594 |
71 | LG5 | 0.9592 |
72 | 25R | 0.9591 |
73 | BVF | 0.9591 |
74 | 26D | 0.9590 |
75 | JZ6 | 0.9590 |
76 | 25T | 0.9589 |
77 | HGQ | 0.9589 |
78 | HQE | 0.9585 |
79 | HIU | 0.9584 |
80 | MB3 | 0.9580 |
81 | HYN | 0.9578 |
82 | HOW | 0.9577 |
83 | CYS | 0.9577 |
84 | 4CH | 0.9576 |
85 | 4JN | 0.9573 |
86 | DUC | 0.9572 |
87 | PXY | 0.9570 |
88 | KSW | 0.9570 |
89 | MR3 | 0.9569 |
90 | GBL | 0.9569 |
91 | CEJ | 0.9569 |
92 | 2AI | 0.9560 |
93 | TMZ | 0.9559 |
94 | 8GF | 0.9559 |
95 | 6X8 | 0.9558 |
96 | PLQ | 0.9558 |
97 | 938 | 0.9555 |
98 | CIG | 0.9554 |
99 | 3CH | 0.9554 |
100 | PYJ | 0.9552 |
101 | IOL | 0.9550 |
102 | 1MR | 0.9550 |
103 | DA1 | 0.9550 |
104 | FPN | 0.9549 |
105 | B3R | 0.9545 |
106 | M3T | 0.9545 |
107 | HEW | 0.9544 |
108 | 2CH | 0.9542 |
109 | BEW | 0.9533 |
110 | 2KT | 0.9533 |
111 | APY | 0.9530 |
112 | 24T | 0.9530 |
113 | HTS | 0.9523 |
114 | 4H2 | 0.9523 |
115 | CAQ | 0.9510 |
116 | HHQ | 0.9510 |
117 | L89 | 0.9510 |
118 | 93Q | 0.9508 |
119 | 285 | 0.9506 |
120 | BVC | 0.9506 |
121 | 8LG | 0.9494 |
122 | ICC | 0.9492 |
123 | FP2 | 0.9491 |
124 | 3ZQ | 0.9490 |
125 | BVG | 0.9488 |
126 | BNZ | 0.9487 |
127 | XIX | 0.9485 |
128 | B20 | 0.9478 |
129 | DTI | 0.9478 |
130 | 92Z | 0.9475 |
131 | 1AN | 0.9475 |
132 | DMG | 0.9472 |
133 | HVQ | 0.9470 |
134 | JZ0 | 0.9467 |
135 | 9CL | 0.9466 |
136 | B24 | 0.9460 |
137 | 1PT | 0.9458 |
138 | DSN | 0.9447 |
139 | TMT | 0.9446 |
140 | 76X | 0.9446 |
141 | PHZ | 0.9443 |
142 | H3M | 0.9439 |
143 | 4AX | 0.9430 |
144 | 2AF | 0.9427 |
145 | 278 | 0.9427 |
146 | DXX | 0.9414 |
147 | 0PY | 0.9406 |
148 | VAL | 0.9403 |
149 | SER | 0.9387 |
150 | 280 | 0.9385 |
151 | JZ3 | 0.9382 |
152 | OXE | 0.9380 |
153 | 3PY | 0.9379 |
154 | 3ZS | 0.9370 |
155 | 40O | 0.9362 |
156 | IDH | 0.9354 |
157 | DMI | 0.9352 |
158 | P1R | 0.9351 |
159 | GOL | 0.9350 |
160 | MCT | 0.9348 |
161 | URF | 0.9346 |
162 | YAN | 0.9340 |
163 | 6SP | 0.9332 |
164 | KG7 | 0.9330 |
165 | MLA | 0.9328 |
166 | 0R0 | 0.9325 |
167 | J1Z | 0.9325 |
168 | MLI | 0.9321 |
169 | 4HO | 0.9318 |
170 | NK | 0.9314 |
171 | LAC | 0.9309 |
172 | RSF | 0.9291 |
173 | R8A | 0.9290 |
174 | PYR | 0.9288 |
175 | 1DU | 0.9287 |
176 | 4CL | 0.9285 |
177 | BR9 | 0.9285 |
178 | OXL | 0.9285 |
179 | 27Y | 0.9283 |
180 | PYG | 0.9283 |
181 | 9X7 | 0.9281 |
182 | MZG | 0.9278 |
183 | 2AC | 0.9274 |
184 | A1U | 0.9273 |
185 | WBU | 0.9267 |
186 | TM4 | 0.9266 |
187 | 4JJ | 0.9262 |
188 | 2EZ | 0.9261 |
189 | QOS | 0.9260 |
190 | 3CE | 0.9259 |
191 | 1MC | 0.9258 |
192 | MWM | 0.9257 |
193 | FPY | 0.9255 |
194 | OXD | 0.9254 |
195 | OXM | 0.9253 |
196 | KIV | 0.9252 |
197 | 3MC | 0.9250 |
198 | MWJ | 0.9250 |
199 | ICP | 0.9249 |
200 | PYD | 0.9249 |
201 | 6MH | 0.9247 |
202 | MBD | 0.9243 |
203 | 4ZE | 0.9241 |
204 | JZ2 | 0.9241 |
205 | ABA | 0.9240 |
206 | DEN | 0.9238 |
207 | HBA | 0.9232 |
208 | DCY | 0.9228 |
209 | XBZ | 0.9225 |
210 | XYD | 0.9223 |
211 | 2C9 | 0.9222 |
212 | 3OH | 0.9218 |
213 | 2MY | 0.9218 |
214 | TDR | 0.9217 |
215 | MAK | 0.9214 |
216 | 3FA | 0.9212 |
217 | 2CM | 0.9209 |
218 | TM7 | 0.9209 |
219 | DUB | 0.9209 |
220 | BZF | 0.9207 |
221 | TH0 | 0.9205 |
222 | MZW | 0.9204 |
223 | PRI | 0.9201 |
224 | GVH | 0.9201 |
225 | DAL | 0.9199 |
226 | 34A | 0.9197 |
227 | OHG | 0.9196 |
228 | RP7 | 0.9196 |
229 | 5JC | 0.9195 |
230 | 5MH | 0.9195 |
231 | HT4 | 0.9194 |
232 | C5J | 0.9193 |
233 | YCP | 0.9191 |
234 | IND | 0.9186 |
235 | 2MP | 0.9181 |
236 | 286 | 0.9180 |
237 | FFP | 0.9176 |
238 | FLM | 0.9174 |
239 | JZ1 | 0.9173 |
240 | XYP | 0.9172 |
241 | 2YU | 0.9169 |
242 | 4JP | 0.9168 |
243 | 23W | 0.9167 |
244 | DBB | 0.9164 |
245 | A3B | 0.9164 |
246 | BEZ | 0.9162 |
247 | 2RA | 0.9159 |
248 | Y8I | 0.9157 |
249 | NEQ | 0.9156 |
250 | GMN | 0.9154 |
251 | BZI | 0.9154 |
252 | BP9 | 0.9153 |
253 | 94N | 0.9151 |
254 | IDM | 0.9150 |
255 | 0R1 | 0.9148 |
256 | ALA | 0.9146 |
257 | NCA | 0.9145 |
258 | 4JO | 0.9144 |
259 | PHB | 0.9143 |
260 | YHO | 0.9143 |
261 | 3MH | 0.9141 |
262 | JBN | 0.9140 |
263 | AHR | 0.9140 |
264 | SMB | 0.9139 |
265 | NIO | 0.9139 |
266 | 43M | 0.9137 |
267 | BEN | 0.9135 |
268 | MPI | 0.9135 |
269 | LZ1 | 0.9132 |
270 | 5UC | 0.9129 |
271 | H8N | 0.9127 |
272 | 03W | 0.9126 |
273 | LDU | 0.9126 |
274 | 4DX | 0.9125 |
275 | P2D | 0.9123 |
276 | PYC | 0.9121 |
277 | NBZ | 0.9119 |
278 | PZA | 0.9116 |
279 | 2DR | 0.9116 |
280 | 4VP | 0.9107 |
281 | 0CT | 0.9100 |
282 | MEU | 0.9100 |
283 | SMV | 0.9100 |
284 | LXC | 0.9100 |
285 | HGY | 0.9094 |
286 | 4JL | 0.9092 |
287 | FOA | 0.9091 |
288 | PYM | 0.9090 |
289 | C2B | 0.9090 |
290 | PBC | 0.9088 |
291 | HUI | 0.9085 |
292 | 2ZX | 0.9084 |
293 | SAR | 0.9082 |
294 | BAM | 0.9082 |
295 | 5Y9 | 0.9080 |
296 | 6UA | 0.9080 |
297 | PRO | 0.9080 |
298 | OXQ | 0.9078 |
299 | 6PC | 0.9073 |
300 | 5ZE | 0.9073 |
301 | 7CZ | 0.9071 |
302 | XYS | 0.9070 |
303 | M58 | 0.9064 |
304 | 3AY | 0.9064 |
305 | R2B | 0.9063 |
306 | AX2 | 0.9060 |
307 | WDL | 0.9060 |
308 | BUO | 0.9058 |
309 | 13X | 0.9058 |
310 | TZC | 0.9058 |
311 | C2A | 0.9054 |
312 | 1XX | 0.9053 |
313 | JZ5 | 0.9051 |
314 | FBA | 0.9050 |
315 | 5AN | 0.9048 |
316 | NTN | 0.9047 |
317 | MMU | 0.9046 |
318 | TLD | 0.9044 |
319 | 1AC | 0.9043 |
320 | 39J | 0.9037 |
321 | BAL | 0.9036 |
322 | 2OP | 0.9033 |
323 | IUR | 0.9032 |
324 | UNU | 0.9028 |
325 | 4JM | 0.9026 |
326 | AC0 | 0.9026 |
327 | THR | 0.9026 |
328 | HSE | 0.9026 |
329 | 0TR | 0.9025 |
330 | EGD | 0.9025 |
331 | RIB | 0.9023 |
332 | IT2 | 0.9016 |
333 | VGL | 0.9012 |
334 | ERH | 0.9012 |
335 | 265 | 0.9010 |
336 | GAG | 0.9010 |
337 | SS2 | 0.9010 |
338 | GBD | 0.9009 |
339 | C2N | 0.9008 |
340 | ALO | 0.9006 |
341 | 275 | 0.9006 |
342 | 2PC | 0.9003 |
343 | HCS | 0.9003 |
344 | 5AC | 0.8999 |
345 | 4XR | 0.8999 |
346 | 3GR | 0.8997 |
347 | HY3 | 0.8996 |
348 | MLT | 0.8994 |
349 | DFB | 0.8991 |
350 | BUA | 0.8989 |
351 | TP5 | 0.8987 |
352 | C21 | 0.8986 |
353 | BR8 | 0.8984 |
354 | TFB | 0.8982 |
355 | 23A | 0.8981 |
356 | BNS | 0.8981 |
357 | IFM | 0.8980 |
358 | JAB | 0.8977 |
359 | QSC | 0.8975 |
360 | 2HA | 0.8975 |
361 | NAK | 0.8972 |
362 | NVA | 0.8965 |
363 | FW5 | 0.8955 |
364 | P3K | 0.8950 |
365 | 273 | 0.8950 |
366 | RIP | 0.8949 |
367 | LER | 0.8946 |
368 | BAE | 0.8941 |
369 | NIS | 0.8939 |
370 | GOA | 0.8939 |
371 | AZF | 0.8932 |
372 | HBS | 0.8930 |
373 | 47J | 0.8925 |
374 | 9YL | 0.8925 |
375 | TCZ | 0.8924 |
376 | FAN | 0.8924 |
377 | SS1 | 0.8920 |
378 | R1X | 0.8918 |
379 | HSM | 0.8917 |
380 | ITU | 0.8913 |
381 | JZ9 | 0.8910 |
382 | 1AB | 0.8910 |
383 | GXV | 0.8903 |
384 | FUC | 0.8898 |
385 | RSO | 0.8897 |
386 | IMR | 0.8895 |
387 | AAE | 0.8891 |
388 | 0MK | 0.8890 |
389 | PPI | 0.8890 |
390 | 192 | 0.8888 |
391 | HAE | 0.8886 |
392 | F81 | 0.8885 |
393 | EDG | 0.8885 |
394 | GLV | 0.8885 |
395 | BMD | 0.8880 |
396 | MRY | 0.8880 |
397 | AKR | 0.8877 |
398 | BE2 | 0.8875 |
399 | JIF | 0.8873 |
400 | FAH | 0.8873 |
401 | NCM | 0.8873 |
402 | OXZ | 0.8872 |
403 | 60P | 0.8869 |
404 | T2C | 0.8868 |
405 | SLP | 0.8868 |
406 | PEA | 0.8863 |
407 | PEL | 0.8862 |
408 | DTL | 0.8859 |
409 | FUL | 0.8856 |
410 | M2H | 0.8855 |
411 | 35C | 0.8855 |
412 | 7MH | 0.8855 |
413 | DAB | 0.8843 |
414 | GLY | 0.8841 |
415 | ARA | 0.8838 |
416 | MGX | 0.8834 |
417 | NMU | 0.8830 |
418 | 3Z7 | 0.8829 |
419 | 69O | 0.8828 |
420 | NHY | 0.8827 |
421 | DTU | 0.8826 |
422 | T6C | 0.8818 |
423 | CEE | 0.8816 |
424 | HPA | 0.8811 |
425 | 3XX | 0.8810 |
426 | 270 | 0.8810 |
427 | P92 | 0.8809 |
428 | ARB | 0.8809 |
429 | ADE | 0.8808 |
430 | 61G | 0.8807 |
431 | R3W | 0.8803 |
432 | 9DA | 0.8803 |
433 | BUQ | 0.8803 |
434 | BTE | 0.8801 |
435 | IP0 | 0.8801 |
436 | KOJ | 0.8801 |
437 | CHT | 0.8801 |
438 | 24B | 0.8797 |
439 | SAL | 0.8796 |
440 | CRN | 0.8795 |
441 | SWD | 0.8793 |
442 | LMR | 0.8793 |
443 | 7HP | 0.8790 |
444 | AGK | 0.8790 |
445 | MAE | 0.8787 |
446 | HMH | 0.8786 |
447 | IMD | 0.8786 |
448 | 10L | 0.8783 |
449 | NIE | 0.8783 |
450 | GIF | 0.8782 |
451 | RUU | 0.8781 |
452 | CXF | 0.8779 |
453 | 6MP | 0.8778 |
454 | DFU | 0.8776 |
455 | PZO | 0.8776 |
456 | 51F | 0.8776 |
457 | PCA | 0.8774 |
458 | 271 | 0.8773 |
459 | HUH | 0.8773 |
460 | FYU | 0.8771 |
461 | JBE | 0.8771 |
462 | BZX | 0.8770 |
463 | BU4 | 0.8770 |
464 | TF4 | 0.8770 |
465 | AGU | 0.8769 |
466 | 9TY | 0.8768 |
467 | PAE | 0.8768 |
468 | HY1 | 0.8766 |
469 | 9HX | 0.8764 |
470 | VNJ | 0.8763 |
471 | S76 | 0.8761 |
472 | MTG | 0.8760 |
473 | 2HE | 0.8758 |
474 | 261 | 0.8758 |
475 | F3V | 0.8758 |
476 | 6AI | 0.8757 |
477 | AX7 | 0.8757 |
478 | ITN | 0.8754 |
479 | 3U4 | 0.8754 |
480 | TBP | 0.8754 |
481 | PM6 | 0.8753 |
482 | 2MI | 0.8752 |
483 | ALQ | 0.8751 |
484 | YTB | 0.8751 |
485 | 7WA | 0.8744 |
486 | ES4 | 0.8734 |
487 | CP | 0.8734 |
488 | AKB | 0.8730 |
489 | 2A7 | 0.8729 |
490 | BP1 | 0.8726 |
491 | IQ0 | 0.8725 |
492 | FLA | 0.8724 |
493 | KYD | 0.8723 |
494 | F50 | 0.8722 |
495 | O7U | 0.8720 |
496 | HVB | 0.8719 |
497 | TRI | 0.8716 |
498 | 4ZC | 0.8715 |
499 | ZZT | 0.8714 |
500 | ASP | 0.8713 |
501 | 32O | 0.8713 |
502 | 8H8 | 0.8712 |
503 | OAA | 0.8711 |
504 | DPR | 0.8708 |
505 | H76 | 0.8707 |
506 | NMJ | 0.8705 |
507 | PRS | 0.8705 |
508 | ATO | 0.8705 |
509 | 7WG | 0.8703 |
510 | 3SK | 0.8697 |
511 | ES6 | 0.8695 |
512 | 40E | 0.8695 |
513 | ZZ3 | 0.8694 |
514 | 1WD | 0.8691 |
515 | FP1 | 0.8690 |
516 | 4SV | 0.8688 |
517 | SEJ | 0.8685 |
518 | ABE | 0.8684 |
519 | JZ7 | 0.8683 |
520 | HDA | 0.8680 |
521 | QUZ | 0.8677 |
522 | FUF | 0.8675 |
523 | 5MI | 0.8668 |
524 | 6HQ | 0.8666 |
525 | 5H1 | 0.8664 |
526 | F05 | 0.8663 |
527 | 5MB | 0.8662 |
528 | SVN | 0.8660 |
529 | NSP | 0.8660 |
530 | HX3 | 0.8660 |
531 | HMU | 0.8660 |
532 | ES9 | 0.8657 |
533 | SGL | 0.8657 |
534 | 260 | 0.8655 |
535 | 14J | 0.8653 |
536 | 2K4 | 0.8651 |
537 | PXO | 0.8651 |
538 | BXA | 0.8651 |
539 | SIN | 0.8646 |
540 | 1DW | 0.8646 |
541 | ABV | 0.8646 |
542 | 14O | 0.8645 |
543 | NPO | 0.8643 |
544 | 9EW | 0.8641 |
545 | SSN | 0.8641 |
546 | JKE | 0.8640 |
547 | MRZ | 0.8639 |
548 | NPY | 0.8637 |
549 | BRP | 0.8637 |
550 | 7WV | 0.8636 |
551 | FJO | 0.8634 |
552 | 45C | 0.8630 |
553 | F60 | 0.8630 |
554 | 3NT | 0.8626 |
555 | MSF | 0.8616 |
556 | HLR | 0.8615 |
557 | H4N | 0.8615 |
558 | 11S | 0.8614 |
559 | TC7 | 0.8613 |
560 | 3AB | 0.8611 |
561 | TH7 | 0.8610 |
562 | ALF | 0.8610 |
563 | CSS | 0.8606 |
564 | 3HB | 0.8606 |
565 | ASN | 0.8604 |
566 | TZE | 0.8603 |
567 | FK1 | 0.8601 |
568 | ABU | 0.8599 |
569 | 8NY | 0.8595 |
570 | WCE | 0.8594 |
571 | FCA | 0.8590 |
572 | 8GC | 0.8587 |
573 | JAE | 0.8587 |
574 | TSZ | 0.8583 |
575 | AC6 | 0.8574 |
576 | GAB | 0.8568 |
577 | HV2 | 0.8560 |
578 | FUB | 0.8559 |
579 | 0RW | 0.8559 |
580 | 2CK | 0.8558 |
581 | BTL | 0.8558 |
582 | 5HN | 0.8557 |
583 | Z6J | 0.8556 |
584 | OVV | 0.8552 |
585 | 53C | 0.8543 |
586 | BRT | 0.8538 |
587 | 3BZ | 0.8525 |
This union binding pocket(no: 1) in the query (biounit: 3g4q.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3g4q.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3g4q.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |