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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 | 4RPN | Kd = 110 nM | PCI | C6 H Cl5 O | c1(c(c(c(c.... |
2 | 4RPO | Kd = 22.8 nM | T6C | C6 H3 Cl3 O | c1c(cc(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 4RPN | Kd = 110 nM | PCI | C6 H Cl5 O | c1(c(c(c(c.... |
2 | 4RPO | Kd = 22.8 nM | T6C | C6 H3 Cl3 O | c1c(cc(c(c.... |
3 | 2Y7K | Kd = 11.8 uM | SAL | C7 H6 O3 | c1ccc(c(c1.... |
4 | 2Y7P | Kd = 11.8 uM | SAL | C7 H6 O3 | c1ccc(c(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PCI | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ISE | 1.0000 |
2 | DQN | 0.9982 |
3 | PBR | 0.9958 |
4 | F3B | 0.9952 |
5 | HFB | 0.9947 |
6 | BCF | 0.9939 |
7 | INS | 0.9928 |
8 | BBF | 0.9907 |
9 | IBF | 0.9864 |
10 | 25W | 0.9833 |
11 | PFB | 0.9827 |
12 | G6D | 0.9803 |
13 | GLC | 0.9710 |
14 | XYP | 0.9650 |
15 | 5CL | 0.9647 |
16 | EXO | 0.9644 |
17 | BGC | 0.9644 |
18 | XXR | 0.9623 |
19 | F5B | 0.9613 |
20 | LXC | 0.9603 |
21 | GCS | 0.9590 |
22 | 3RK | 0.9585 |
23 | G3F | 0.9575 |
24 | 8S0 | 0.9563 |
25 | TEP | 0.9518 |
26 | JUG | 0.9494 |
27 | 6F0 | 0.9492 |
28 | GRE | 0.9491 |
29 | G1O | 0.9476 |
30 | 3WA | 0.9471 |
31 | 2ZV | 0.9470 |
32 | JBQ | 0.9466 |
33 | GAL | 0.9446 |
34 | CFF | 0.9445 |
35 | KJY | 0.9435 |
36 | TBS | 0.9427 |
37 | 39A | 0.9422 |
38 | PHH | 0.9419 |
39 | 6M1 | 0.9405 |
40 | I1N | 0.9402 |
41 | UQ | 0.9396 |
42 | NTZ | 0.9388 |
43 | SHG | 0.9380 |
44 | G5V | 0.9371 |
45 | 3MG | 0.9371 |
46 | K17 | 0.9370 |
47 | FUL | 0.9368 |
48 | BSP | 0.9360 |
49 | 9KT | 0.9311 |
50 | LGC | 0.9305 |
51 | XYS | 0.9303 |
52 | AEZ | 0.9293 |
53 | K6X | 0.9292 |
54 | RPQ | 0.9290 |
55 | BNT | 0.9287 |
56 | 32X | 0.9282 |
57 | EQT | 0.9279 |
58 | 12B | 0.9279 |
59 | 1WG | 0.9278 |
60 | GIM | 0.9277 |
61 | PYQ | 0.9253 |
62 | 2CQ | 0.9250 |
63 | LKA | 0.9242 |
64 | LI6 | 0.9238 |
65 | T6C | 0.9238 |
66 | 35C | 0.9238 |
67 | JFD | 0.9236 |
68 | HZQ | 0.9231 |
69 | 37T | 0.9221 |
70 | TC7 | 0.9221 |
71 | MT0 | 0.9217 |
72 | RAM | 0.9214 |
73 | 7MH | 0.9211 |
74 | HTP | 0.9202 |
75 | 495 | 0.9197 |
76 | TBP | 0.9190 |
77 | 150 | 0.9188 |
78 | ZVO | 0.9188 |
79 | 3HA | 0.9180 |
80 | BDP | 0.9173 |
81 | NOJ | 0.9172 |
82 | F4Z | 0.9168 |
83 | JIF | 0.9165 |
84 | 2H5 | 0.9163 |
85 | 5Q0 | 0.9160 |
86 | 45C | 0.9156 |
87 | 5WX | 0.9152 |
88 | BTE | 0.9147 |
89 | K8X | 0.9145 |
90 | PXL | 0.9143 |
91 | 1XN | 0.9138 |
92 | 3F0 | 0.9138 |
93 | JBK | 0.9134 |
94 | QX2 | 0.9134 |
95 | HQY | 0.9128 |
96 | 3M0 | 0.9127 |
97 | 5SG | 0.9127 |
98 | ES1 | 0.9127 |
99 | 1U6 | 0.9122 |
100 | B53 | 0.9121 |
101 | YSO | 0.9118 |
102 | 1NP | 0.9115 |
103 | NQ | 0.9115 |
104 | DHQ | 0.9113 |
105 | MVL | 0.9113 |
106 | DBH | 0.9111 |
107 | VK3 | 0.9111 |
108 | QWW | 0.9110 |
109 | PXM | 0.9109 |
110 | B57 | 0.9104 |
111 | FE DB1 | 0.9099 |
112 | 680 | 0.9098 |
113 | 0MK | 0.9097 |
114 | SOE | 0.9096 |
115 | KYD | 0.9095 |
116 | 24W | 0.9094 |
117 | 1SQ | 0.9092 |
118 | RM4 | 0.9090 |
119 | GYE | 0.9090 |
120 | HLZ | 0.9086 |
121 | NDM | 0.9086 |
122 | 4YS | 0.9086 |
123 | 7B3 | 0.9085 |
124 | JPZ | 0.9084 |
125 | JBH | 0.9084 |
126 | ADK | 0.9083 |
127 | ARB | 0.9082 |
128 | RNS | 0.9081 |
129 | 67N | 0.9079 |
130 | 5IQ | 0.9078 |
131 | RXA | 0.9076 |
132 | GOG | 0.9076 |
133 | 1LQ | 0.9073 |
134 | FBT | 0.9073 |
135 | 1LM | 0.9068 |
136 | N5J | 0.9067 |
137 | AZA | 0.9066 |
138 | SWD | 0.9065 |
139 | KBG | 0.9064 |
140 | EVA | 0.9061 |
141 | M1A | 0.9060 |
142 | ADZ | 0.9058 |
143 | O72 | 0.9058 |
144 | FDB | 0.9053 |
145 | AZ9 | 0.9053 |
146 | HH8 | 0.9052 |
147 | HJP | 0.9052 |
148 | GUN | 0.9051 |
149 | DPZ | 0.9050 |
150 | 3IT | 0.9050 |
151 | 3MA | 0.9049 |
152 | Q6T | 0.9049 |
153 | HQD | 0.9044 |
154 | 7NI | 0.9042 |
155 | GOX | 0.9041 |
156 | GIO | 0.9041 |
157 | 06B | 0.9041 |
158 | 7VJ | 0.9041 |
159 | MFB | 0.9037 |
160 | 5QX | 0.9036 |
161 | 4XH | 0.9035 |
162 | 12Q | 0.9035 |
163 | GCU | 0.9034 |
164 | FUC | 0.9033 |
165 | GCB | 0.9031 |
166 | 18N | 0.9031 |
167 | 23A | 0.9031 |
168 | AKH | 0.9026 |
169 | H33 | 0.9025 |
170 | 0CU | 0.9024 |
171 | 141 | 0.9023 |
172 | KJH | 0.9020 |
173 | 7W1 | 0.9019 |
174 | IGA | 0.9016 |
175 | XAN | 0.9016 |
176 | 149 | 0.9015 |
177 | B60 | 0.9014 |
178 | SKA | 0.9014 |
179 | 9DG | 0.9012 |
180 | FCB | 0.9011 |
181 | HPA | 0.9009 |
182 | SAL | 0.9009 |
183 | AHR | 0.9007 |
184 | 42C | 0.9004 |
185 | WOO | 0.9002 |
186 | ADE | 0.9002 |
187 | HQT | 0.9001 |
188 | HHA | 0.9000 |
189 | 4AA | 0.8996 |
190 | 2ZQ | 0.8996 |
191 | A2F | 0.8993 |
192 | R8V | 0.8990 |
193 | TTL | 0.8988 |
194 | PYG | 0.8986 |
195 | 0TR | 0.8986 |
196 | 290 | 0.8985 |
197 | 7B4 | 0.8984 |
198 | 1WD | 0.8984 |
199 | 7HP | 0.8984 |
200 | BE2 | 0.8982 |
201 | 6AP | 0.8980 |
202 | ALL | 0.8979 |
203 | NOY | 0.8975 |
204 | 9MG | 0.8975 |
205 | 6GU | 0.8974 |
206 | SWA | 0.8974 |
207 | 1XM | 0.8972 |
208 | M1Q | 0.8972 |
209 | PA1 | 0.8970 |
210 | 82I | 0.8969 |
211 | 7CZ | 0.8969 |
212 | 9HX | 0.8968 |
213 | KIB | 0.8967 |
214 | DUB | 0.8966 |
215 | 6MP | 0.8966 |
216 | YH7 | 0.8965 |
217 | 209 | 0.8965 |
218 | UNC | 0.8964 |
219 | MZB | 0.8964 |
220 | ISN | 0.8962 |
221 | 9DA | 0.8962 |
222 | SOR | 0.8960 |
223 | 7WA | 0.8959 |
224 | CFP | 0.8959 |
225 | IFL | 0.8958 |
226 | BMA | 0.8958 |
227 | JBE | 0.8957 |
228 | MAQ | 0.8957 |
229 | JKE | 0.8957 |
230 | BP1 | 0.8953 |
231 | 948 | 0.8952 |
232 | GLA | 0.8950 |
233 | FCA | 0.8950 |
234 | 0N7 | 0.8949 |
235 | MAN | 0.8947 |
236 | FOT | 0.8946 |
237 | 5RG | 0.8945 |
238 | 3U4 | 0.8944 |
239 | PE0 | 0.8944 |
240 | 7ZE | 0.8943 |
241 | DX4 | 0.8942 |
242 | KKN | 0.8942 |
243 | 7WV | 0.8938 |
244 | AZG | 0.8938 |
245 | AJV | 0.8937 |
246 | ES4 | 0.8937 |
247 | MT5 | 0.8937 |
248 | HNQ | 0.8936 |
249 | CTS | 0.8936 |
250 | GMN | 0.8935 |
251 | MBD | 0.8935 |
252 | GLT | 0.8934 |
253 | UEG | 0.8933 |
254 | 2MY | 0.8933 |
255 | IJZ | 0.8931 |
256 | 94N | 0.8930 |
257 | YIO | 0.8930 |
258 | HH5 | 0.8928 |
259 | APZ | 0.8928 |
260 | PM6 | 0.8928 |
261 | 7W4 | 0.8927 |
262 | 2D0 | 0.8926 |
263 | TOF | 0.8926 |
264 | MEW | 0.8926 |
265 | 3FA | 0.8925 |
266 | 5WY | 0.8923 |
267 | C2U | 0.8922 |
268 | BOA | 0.8922 |
269 | ES6 | 0.8922 |
270 | FUF | 0.8921 |
271 | 5WV | 0.8920 |
272 | 10L | 0.8918 |
273 | 2CM | 0.8916 |
274 | SVN | 0.8915 |
275 | 4SV | 0.8915 |
276 | 2C9 | 0.8915 |
277 | 64K | 0.8914 |
278 | G2F | 0.8914 |
279 | KGK | 0.8914 |
280 | FLM | 0.8914 |
281 | ES7 | 0.8913 |
282 | X05 | 0.8910 |
283 | 43M | 0.8910 |
284 | L7T | 0.8908 |
285 | Q24 | 0.8905 |
286 | 6MH | 0.8903 |
287 | M5K | 0.8902 |
288 | 3CE | 0.8899 |
289 | K22 | 0.8899 |
290 | BCP | 0.8899 |
291 | F05 | 0.8894 |
292 | DMD | 0.8893 |
293 | AZ8 | 0.8892 |
294 | INE | 0.8892 |
295 | 0P6 | 0.8891 |
296 | NID | 0.8889 |
297 | FFP | 0.8886 |
298 | ZWZ | 0.8885 |
299 | 2FG | 0.8884 |
300 | 6CS | 0.8883 |
301 | HXX | 0.8880 |
302 | 3MC | 0.8878 |
303 | AQO | 0.8877 |
304 | Q88 | 0.8877 |
305 | KIA | 0.8876 |
306 | M0Q | 0.8875 |
307 | 8CM | 0.8875 |
308 | CLZ | 0.8867 |
309 | AJ2 | 0.8867 |
310 | 7HQ | 0.8866 |
311 | GXY | 0.8865 |
312 | NPY | 0.8865 |
313 | TTY | 0.8864 |
314 | 3MH | 0.8864 |
315 | ARA | 0.8863 |
316 | TM4 | 0.8861 |
317 | 9EW | 0.8860 |
318 | ASO | 0.8860 |
319 | J9W | 0.8855 |
320 | F81 | 0.8854 |
321 | GTQ | 0.8853 |
322 | M6N | 0.8853 |
323 | QOS | 0.8852 |
324 | CWS | 0.8851 |
325 | 94B | 0.8851 |
326 | CWM | 0.8849 |
327 | M1H | 0.8848 |
328 | 54G | 0.8845 |
329 | NTM | 0.8845 |
330 | PYD | 0.8844 |
331 | 2MP | 0.8843 |
332 | M0W | 0.8842 |
333 | 5M0 | 0.8842 |
334 | ES0 | 0.8842 |
335 | 2AC | 0.8842 |
336 | BR8 | 0.8840 |
337 | XBZ | 0.8839 |
338 | QUZ | 0.8839 |
339 | GOO | 0.8838 |
340 | 4HC | 0.8835 |
341 | GTZ | 0.8835 |
342 | MSN | 0.8834 |
343 | MO8 | 0.8834 |
344 | 5JC | 0.8833 |
345 | JZ2 | 0.8833 |
346 | 7VS | 0.8832 |
347 | JXN | 0.8832 |
348 | TFU | 0.8830 |
349 | TLD | 0.8830 |
350 | DBJ | 0.8830 |
351 | 34A | 0.8827 |
352 | 3Z7 | 0.8825 |
353 | DIU | 0.8825 |
354 | 329 | 0.8825 |
355 | A7W | 0.8824 |
356 | Y8I | 0.8823 |
357 | HT4 | 0.8820 |
358 | KUF | 0.8820 |
359 | TH0 | 0.8820 |
360 | FSW | 0.8819 |
361 | MCT | 0.8817 |
362 | KFH | 0.8815 |
363 | 13X | 0.8814 |
364 | 3DO | 0.8814 |
365 | 6M9 | 0.8812 |
366 | PRF | 0.8812 |
367 | DFB | 0.8812 |
368 | KT7 | 0.8811 |
369 | P3K | 0.8811 |
370 | ICP | 0.8810 |
371 | 4JO | 0.8809 |
372 | 0RW | 0.8809 |
373 | 4AN | 0.8808 |
374 | PQ0 | 0.8808 |
375 | URF | 0.8808 |
376 | PHT | 0.8806 |
377 | 4JJ | 0.8805 |
378 | 6UA | 0.8805 |
379 | XYD | 0.8803 |
380 | A1U | 0.8803 |
381 | 4ZE | 0.8802 |
382 | 275 | 0.8801 |
383 | MWM | 0.8801 |
384 | MBG | 0.8800 |
385 | MZG | 0.8799 |
386 | 5MK | 0.8799 |
387 | RIP | 0.8797 |
388 | TDR | 0.8797 |
389 | KLW | 0.8797 |
390 | 3ID | 0.8796 |
391 | TCZ | 0.8794 |
392 | TM7 | 0.8793 |
393 | 12M | 0.8792 |
394 | 8XQ | 0.8791 |
395 | AX2 | 0.8790 |
396 | SYA | 0.8790 |
397 | E7Z | 0.8790 |
398 | 4CL | 0.8790 |
399 | QWN | 0.8787 |
400 | 4ZC | 0.8787 |
401 | EA1 | 0.8785 |
402 | 0W8 | 0.8784 |
403 | ERH | 0.8783 |
404 | 1MC | 0.8782 |
405 | 1GN | 0.8782 |
406 | D07 | 0.8781 |
407 | K32 | 0.8781 |
408 | MWJ | 0.8779 |
409 | HLR | 0.8778 |
410 | 5ZE | 0.8778 |
411 | I3A | 0.8777 |
412 | 5AN | 0.8777 |
413 | 2YU | 0.8776 |
414 | 2ZX | 0.8774 |
415 | 3AY | 0.8773 |
416 | 3DM | 0.8770 |
417 | 5MH | 0.8769 |
418 | BR9 | 0.8767 |
419 | FLV | 0.8767 |
420 | 226 | 0.8767 |
421 | 6M4 | 0.8767 |
422 | IV2 | 0.8765 |
423 | 1P7 | 0.8765 |
424 | SX1 | 0.8763 |
425 | GIV | 0.8762 |
426 | X6X | 0.8762 |
427 | M1E | 0.8762 |
428 | MRW | 0.8760 |
429 | 27Y | 0.8759 |
430 | MFU | 0.8759 |
431 | LCN | 0.8756 |
432 | 8H8 | 0.8755 |
433 | 4HO | 0.8755 |
434 | 5CU | 0.8754 |
435 | DRL | 0.8753 |
436 | FYU | 0.8752 |
437 | MUA | 0.8752 |
438 | WDL | 0.8752 |
439 | 86J | 0.8751 |
440 | HMH | 0.8751 |
441 | ASC | 0.8751 |
442 | PX7 | 0.8750 |
443 | GDE | 0.8750 |
444 | X09 | 0.8750 |
445 | EJZ | 0.8749 |
446 | 5UC | 0.8749 |
447 | 5NU | 0.8749 |
448 | G3E | 0.8748 |
449 | GCW | 0.8748 |
450 | IFM | 0.8746 |
451 | GLF | 0.8744 |
452 | LSA | 0.8744 |
453 | AMG | 0.8737 |
454 | DIN | 0.8737 |
455 | 4Z4 | 0.8734 |
456 | 3Z8 | 0.8732 |
457 | 5B1 | 0.8730 |
458 | 9TZ | 0.8730 |
459 | YTB | 0.8730 |
460 | 1DW | 0.8728 |
461 | WBU | 0.8726 |
462 | DIE | 0.8725 |
463 | BRV | 0.8724 |
464 | SE2 | 0.8723 |
465 | BEA | 0.8720 |
466 | 0FN | 0.8719 |
467 | 2CK | 0.8719 |
468 | GT0 | 0.8718 |
469 | QXW | 0.8715 |
470 | QBK | 0.8710 |
471 | HX3 | 0.8710 |
472 | QSH | 0.8709 |
473 | 4M0 | 0.8707 |
474 | FA0 | 0.8704 |
475 | 4M4 | 0.8703 |
476 | FGZ | 0.8702 |
477 | BHA | 0.8701 |
478 | 2EC | 0.8700 |
479 | DHK | 0.8699 |
480 | XQ0 | 0.8698 |
481 | DOB | 0.8697 |
482 | BZX | 0.8697 |
483 | V55 | 0.8695 |
484 | MT8 | 0.8694 |
485 | TH7 | 0.8692 |
486 | X8D | 0.8691 |
487 | 03V | 0.8690 |
488 | DFU | 0.8687 |
489 | ZB1 | 0.8687 |
490 | IUR | 0.8685 |
491 | I3C | 0.8684 |
492 | NSP | 0.8679 |
493 | S76 | 0.8679 |
494 | QPR | 0.8677 |
495 | KJ5 | 0.8677 |
496 | UAN | 0.8676 |
497 | B62 | 0.8676 |
498 | AZF | 0.8675 |
499 | ZZT | 0.8672 |
500 | 260 | 0.8670 |
501 | IDH | 0.8668 |
502 | GAF | 0.8667 |
503 | 2A7 | 0.8661 |
504 | 2HQ | 0.8660 |
505 | D3M | 0.8660 |
506 | 6BL | 0.8660 |
507 | COU | 0.8660 |
508 | LT2 | 0.8658 |
509 | AFR | 0.8658 |
510 | GXL | 0.8657 |
511 | G4D | 0.8656 |
512 | D48 | 0.8655 |
513 | XQG | 0.8654 |
514 | 3PF | 0.8653 |
515 | 4MU | 0.8652 |
516 | VNL | 0.8652 |
517 | HMU | 0.8649 |
518 | 2AQ | 0.8647 |
519 | B55 | 0.8647 |
520 | 42A | 0.8646 |
521 | 24B | 0.8646 |
522 | JB5 | 0.8643 |
523 | URC | 0.8641 |
524 | MMA | 0.8640 |
525 | OCH | 0.8640 |
526 | FDK | 0.8638 |
527 | 5MB | 0.8637 |
528 | 4FS | 0.8637 |
529 | FH2 | 0.8636 |
530 | J5I | 0.8635 |
531 | LZM | 0.8635 |
532 | MXX | 0.8635 |
533 | 14O | 0.8634 |
534 | JAE | 0.8633 |
535 | XHP | 0.8633 |
536 | 2AK | 0.8632 |
537 | VNJ | 0.8631 |
538 | 3FH | 0.8628 |
539 | ES5 | 0.8626 |
540 | ES9 | 0.8626 |
541 | 4XS | 0.8624 |
542 | JU2 | 0.8622 |
543 | 5NE | 0.8622 |
544 | 8TX | 0.8621 |
545 | 5RN | 0.8619 |
546 | F60 | 0.8619 |
547 | 44W | 0.8615 |
548 | OXZ | 0.8614 |
549 | DEN | 0.8614 |
550 | 4PW | 0.8613 |
551 | 4XV | 0.8612 |
552 | K5W | 0.8612 |
553 | IND | 0.8612 |
554 | JZ3 | 0.8611 |
555 | 5H1 | 0.8611 |
556 | CGB | 0.8606 |
557 | 5MI | 0.8602 |
558 | DMJ | 0.8600 |
559 | BTY | 0.8600 |
560 | 0CT | 0.8598 |
561 | SFU | 0.8598 |
562 | CTL | 0.8596 |
563 | FBG | 0.8594 |
564 | 11S | 0.8593 |
565 | 7WR | 0.8592 |
566 | QAT | 0.8592 |
567 | BZI | 0.8589 |
568 | BZF | 0.8588 |
569 | H4N | 0.8583 |
570 | FK1 | 0.8583 |
571 | 8IG | 0.8581 |
572 | H42 | 0.8580 |
573 | 0FO | 0.8577 |
574 | GCV | 0.8576 |
575 | SRO | 0.8574 |
576 | GVH | 0.8571 |
577 | 3XX | 0.8570 |
578 | 7D2 | 0.8565 |
579 | ZZ3 | 0.8565 |
580 | G12 | 0.8564 |
581 | DQU | 0.8562 |
582 | 5RO | 0.8562 |
583 | MNM | 0.8560 |
584 | CN0 | 0.8550 |
585 | 0R1 | 0.8549 |
586 | 3C2 | 0.8542 |
587 | IDM | 0.8527 |
588 | ICO | 0.8519 |
589 | P9P | 0.8509 |
590 | 270 | 0.8506 |
This union binding pocket(no: 1) in the query (biounit: 4rpo.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4rpo.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4rpo.bio2) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4rpo.bio2) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |