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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 4 families. | |||||
1 | 3PB7 | Ki = 1.817 uM | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
2 | 3PB8 | Ki = 5.748 uM | AHN | C7 H11 N3 O | CC(=O)NCCc.... |
3 | 3PB9 | Ki = 0.262 uM | 1BN | C10 H10 N2 | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4F9V | - | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
2 | 4F9U | Ki = 3139 nM | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
3 | 3PB7 | Ki = 1.817 uM | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
4 | 3PB8 | Ki = 5.748 uM | AHN | C7 H11 N3 O | CC(=O)NCCc.... |
5 | 3PB9 | Ki = 0.262 uM | 1BN | C10 H10 N2 | c1ccc(cc1).... |
6 | 4FAI | - | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
7 | 4FBE | - | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
8 | 2AFU | - | BGT | C9 H18 N2 O3 | CC(C)(C)OC.... |
9 | 6YJY | - | PCA LEU TYR | n/a | n/a |
10 | 3PBB | Ki = 0.095 uM | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
11 | 2AFW | Ki = 17 uM | AHN | C7 H11 N3 O | CC(=O)NCCc.... |
12 | 4YWY | - | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
13 | 2AFZ | - | NVI | C5 H7 N2 | C=C[n+]1cc.... |
14 | 2AFX | - | 1BN | C10 H10 N2 | c1ccc(cc1).... |
15 | 6GBX | Ki = 0.02 uM | S77 | C18 H19 F N6 | Cn1cnnc1C2.... |
16 | 6YI1 | - | ORT PHE 66N | n/a | n/a |
17 | 3SI2 | ic50 = 3 nM | PBD | C15 H20 N4 O2 S | COc1ccc(cc.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | M6H | 0.9854 |
2 | 3QO | 0.9771 |
3 | TZM | 0.9706 |
4 | LL2 | 0.9611 |
5 | HCI | 0.9596 |
6 | FK8 | 0.9525 |
7 | C82 | 0.9524 |
8 | 54F | 0.9523 |
9 | M45 | 0.9509 |
10 | HX8 | 0.9501 |
11 | NFA | 0.9489 |
12 | PHE | 0.9482 |
13 | LVD | 0.9473 |
14 | N2Y | 0.9469 |
15 | DPN | 0.9457 |
16 | M5E | 0.9456 |
17 | PPY | 0.9450 |
18 | YIE | 0.9443 |
19 | 56D | 0.9435 |
20 | ENO | 0.9434 |
21 | CXP | 0.9414 |
22 | HF2 | 0.9409 |
23 | 0QW | 0.9398 |
24 | N9J | 0.9395 |
25 | J0Z | 0.9380 |
26 | HHI | 0.9377 |
27 | HIS | 0.9373 |
28 | BZQ | 0.9372 |
29 | B40 | 0.9369 |
30 | 4PN | 0.9368 |
31 | 6J5 | 0.9349 |
32 | AHN | 0.9348 |
33 | PO6 | 0.9347 |
34 | K7M | 0.9345 |
35 | GNW | 0.9338 |
36 | M74 | 0.9328 |
37 | GZ2 | 0.9323 |
38 | 4HP | 0.9302 |
39 | 9W5 | 0.9301 |
40 | HFA | 0.9297 |
41 | 1L5 | 0.9296 |
42 | BNL | 0.9287 |
43 | 4ZD | 0.9285 |
44 | DHY | 0.9282 |
45 | TIH | 0.9281 |
46 | P58 | 0.9278 |
47 | 2IT | 0.9270 |
48 | AKG | 0.9266 |
49 | HXY | 0.9260 |
50 | SHI | 0.9257 |
51 | C53 | 0.9255 |
52 | B3U | 0.9254 |
53 | 3VW | 0.9249 |
54 | BNF | 0.9245 |
55 | PFF | 0.9241 |
56 | CH8 | 0.9239 |
57 | MJ5 | 0.9233 |
58 | A3M | 0.9233 |
59 | TYR | 0.9231 |
60 | AOT | 0.9231 |
61 | OOG | 0.9226 |
62 | FPL | 0.9225 |
63 | 9VQ | 0.9224 |
64 | M3H | 0.9221 |
65 | DHC | 0.9218 |
66 | S0F | 0.9216 |
67 | 0OL | 0.9216 |
68 | NCT | 0.9211 |
69 | GLU | 0.9210 |
70 | HHH | 0.9207 |
71 | 4FP | 0.9206 |
72 | RLG | 0.9206 |
73 | OA1 | 0.9205 |
74 | HPP | 0.9205 |
75 | 11C | 0.9202 |
76 | PAC | 0.9202 |
77 | DTY | 0.9201 |
78 | DHI | 0.9199 |
79 | MES | 0.9198 |
80 | F90 | 0.9192 |
81 | S2P | 0.9191 |
82 | Q9Z | 0.9189 |
83 | 4TB | 0.9189 |
84 | 11X | 0.9183 |
85 | TYL | 0.9182 |
86 | 3YP | 0.9181 |
87 | O45 | 0.9179 |
88 | Z70 | 0.9175 |
89 | S8V | 0.9169 |
90 | CLU | 0.9168 |
91 | UN1 | 0.9164 |
92 | 7BC | 0.9158 |
93 | SOJ | 0.9155 |
94 | YIP | 0.9153 |
95 | HIC | 0.9153 |
96 | 61M | 0.9151 |
97 | HNK | 0.9151 |
98 | DIR | 0.9150 |
99 | XIZ | 0.9149 |
100 | TYE | 0.9148 |
101 | 848 | 0.9144 |
102 | XDK | 0.9139 |
103 | HNL | 0.9133 |
104 | 4LW | 0.9132 |
105 | EQW | 0.9131 |
106 | J4K | 0.9131 |
107 | 3C4 | 0.9128 |
108 | MMS | 0.9127 |
109 | HL4 | 0.9126 |
110 | DYT | 0.9124 |
111 | 6HO | 0.9122 |
112 | 4BF | 0.9119 |
113 | PBA | 0.9119 |
114 | 2UB | 0.9118 |
115 | GLR | 0.9117 |
116 | YZM | 0.9116 |
117 | URO | 0.9110 |
118 | GGB | 0.9104 |
119 | SLY | 0.9103 |
120 | PCS | 0.9096 |
121 | 6TZ | 0.9095 |
122 | C0H | 0.9095 |
123 | AEG | 0.9090 |
124 | OGA | 0.9090 |
125 | ARG | 0.9090 |
126 | S7A | 0.9088 |
127 | DGN | 0.9088 |
128 | 9RW | 0.9087 |
129 | CLT | 0.9087 |
130 | KTA | 0.9087 |
131 | PBN | 0.9086 |
132 | 7ZL | 0.9082 |
133 | 6FZ | 0.9078 |
134 | HSX | 0.9074 |
135 | 9PL | 0.9071 |
136 | AHC | 0.9071 |
137 | 5NI | 0.9067 |
138 | SYC | 0.9063 |
139 | XI7 | 0.9062 |
140 | TOH | 0.9061 |
141 | BPY | 0.9061 |
142 | DAH | 0.9060 |
143 | PPT | 0.9060 |
144 | 264 | 0.9057 |
145 | R2P | 0.9056 |
146 | PH3 | 0.9055 |
147 | 5XB | 0.9052 |
148 | CPZ | 0.9049 |
149 | HGA | 0.9046 |
150 | SAF | 0.9043 |
151 | 0L1 | 0.9041 |
152 | P80 | 0.9040 |
153 | KYN | 0.9035 |
154 | 1VK | 0.9035 |
155 | BRH | 0.9033 |
156 | L5V | 0.9029 |
157 | ICB | 0.9026 |
158 | 1X4 | 0.9025 |
159 | HJH | 0.9023 |
160 | A7Q | 0.9023 |
161 | TRP | 0.9022 |
162 | 8OZ | 0.9022 |
163 | JZA | 0.9022 |
164 | C1M | 0.9020 |
165 | HQJ | 0.9019 |
166 | 4LV | 0.9019 |
167 | 3CR | 0.9015 |
168 | S2G | 0.9015 |
169 | MSR | 0.9014 |
170 | EYV | 0.9011 |
171 | NYL | 0.9010 |
172 | 263 | 0.9007 |
173 | 3H2 | 0.9005 |
174 | HNH | 0.9005 |
175 | URP | 0.9004 |
176 | FHC | 0.9001 |
177 | DXG | 0.9000 |
178 | PMF | 0.8999 |
179 | TYC | 0.8999 |
180 | PRA | 0.8999 |
181 | P7Y | 0.8993 |
182 | 7OD | 0.8991 |
183 | 2HG | 0.8991 |
184 | 3QM | 0.8990 |
185 | 7QS | 0.8985 |
186 | B85 | 0.8985 |
187 | TCA | 0.8984 |
188 | 2O6 | 0.8983 |
189 | KPA | 0.8983 |
190 | GLN | 0.8982 |
191 | KDG | 0.8978 |
192 | 1PS | 0.8978 |
193 | QY9 | 0.8977 |
194 | J9N | 0.8976 |
195 | M4T | 0.8976 |
196 | 36E | 0.8976 |
197 | 7Q1 | 0.8975 |
198 | 5WZ | 0.8975 |
199 | QUS | 0.8968 |
200 | ERZ | 0.8968 |
201 | F4E | 0.8968 |
202 | IWT | 0.8968 |
203 | LT1 | 0.8967 |
204 | GRO | 0.8965 |
205 | AVI | 0.8965 |
206 | A29 | 0.8965 |
207 | 8U3 | 0.8963 |
208 | OJD | 0.8961 |
209 | JRB | 0.8958 |
210 | PRO GLY | 0.8958 |
211 | DZA | 0.8957 |
212 | SV4 | 0.8957 |
213 | 1A7 | 0.8956 |
214 | 7VP | 0.8955 |
215 | 1F1 | 0.8954 |
216 | SNU | 0.8952 |
217 | GVG | 0.8951 |
218 | PIM | 0.8950 |
219 | 36M | 0.8949 |
220 | HC4 | 0.8948 |
221 | GJZ | 0.8947 |
222 | 0A9 | 0.8946 |
223 | R9J | 0.8946 |
224 | TSR | 0.8943 |
225 | GGL | 0.8941 |
226 | N4B | 0.8940 |
227 | ONL | 0.8937 |
228 | ISA | 0.8937 |
229 | QH3 | 0.8937 |
230 | ALE | 0.8935 |
231 | HX4 | 0.8933 |
232 | HLP | 0.8933 |
233 | 7C3 | 0.8933 |
234 | CS2 | 0.8932 |
235 | DGL | 0.8931 |
236 | 268 | 0.8930 |
237 | A6H | 0.8930 |
238 | YPN | 0.8930 |
239 | 2NP | 0.8930 |
240 | XQI | 0.8927 |
241 | R20 | 0.8923 |
242 | 173 | 0.8922 |
243 | SOL | 0.8921 |
244 | BHO | 0.8921 |
245 | 46P | 0.8921 |
246 | SMN | 0.8920 |
247 | ISZ | 0.8920 |
248 | 7UC | 0.8919 |
249 | IOS | 0.8919 |
250 | CFA | 0.8918 |
251 | CH9 | 0.8918 |
252 | 3LR | 0.8918 |
253 | 4OG | 0.8915 |
254 | 3BU | 0.8915 |
255 | R9M | 0.8915 |
256 | Q03 | 0.8912 |
257 | GUA | 0.8912 |
258 | GCO | 0.8910 |
259 | NNH | 0.8909 |
260 | RJY | 0.8908 |
261 | S0W | 0.8907 |
262 | Q06 | 0.8907 |
263 | HPS | 0.8907 |
264 | LSQ | 0.8906 |
265 | LJ4 | 0.8906 |
266 | EYJ | 0.8904 |
267 | ZGL | 0.8902 |
268 | 0OY | 0.8902 |
269 | YOF | 0.8902 |
270 | LDP | 0.8902 |
271 | 49F | 0.8901 |
272 | EXD | 0.8899 |
273 | GO2 | 0.8898 |
274 | XRS | 0.8898 |
275 | GWM | 0.8897 |
276 | 7Y3 | 0.8895 |
277 | XRX | 0.8894 |
278 | URS | 0.8890 |
279 | 3PG | 0.8890 |
280 | 258 | 0.8890 |
281 | 7R4 | 0.8888 |
282 | 7O4 | 0.8887 |
283 | DTR | 0.8886 |
284 | PJW | 0.8886 |
285 | JF6 | 0.8882 |
286 | 363 | 0.8882 |
287 | PHI | 0.8882 |
288 | LNR | 0.8881 |
289 | PSJ | 0.8880 |
290 | ABF | 0.8879 |
291 | 23J | 0.8877 |
292 | TT4 | 0.8877 |
293 | F06 | 0.8876 |
294 | RP5 | 0.8876 |
295 | 7VY | 0.8874 |
296 | 5LD | 0.8871 |
297 | FUD | 0.8870 |
298 | AMQ | 0.8869 |
299 | 8GL | 0.8869 |
300 | KMH | 0.8866 |
301 | PIY | 0.8866 |
302 | DAR | 0.8865 |
303 | XYH | 0.8864 |
304 | 2C2 | 0.8864 |
305 | M3P | 0.8863 |
306 | E4P | 0.8862 |
307 | 8OB | 0.8862 |
308 | MP5 | 0.8861 |
309 | 6ZX | 0.8859 |
310 | 8OE | 0.8858 |
311 | 505 | 0.8857 |
312 | 36Y | 0.8857 |
313 | DAL DAL | 0.8854 |
314 | JFM | 0.8854 |
315 | ESP | 0.8854 |
316 | RQD | 0.8853 |
317 | ZON | 0.8853 |
318 | LPK | 0.8853 |
319 | 0NX | 0.8852 |
320 | S24 | 0.8850 |
321 | FBM | 0.8849 |
322 | DI6 | 0.8848 |
323 | EVF | 0.8847 |
324 | TPA | 0.8846 |
325 | IAC | 0.8844 |
326 | I2E | 0.8841 |
327 | L99 | 0.8840 |
328 | J9Q | 0.8840 |
329 | B41 | 0.8839 |
330 | 52C | 0.8837 |
331 | NFM | 0.8835 |
332 | I1E | 0.8835 |
333 | C6Z | 0.8834 |
334 | X0V | 0.8833 |
335 | 3A9 | 0.8832 |
336 | SD4 | 0.8830 |
337 | F9P | 0.8826 |
338 | MAJ | 0.8825 |
339 | MQB | 0.8824 |
340 | 50C | 0.8823 |
341 | 0HN | 0.8822 |
342 | HSO | 0.8822 |
343 | F98 | 0.8819 |
344 | 2BX | 0.8819 |
345 | E0O | 0.8819 |
346 | 6NI | 0.8819 |
347 | R9G | 0.8817 |
348 | R9S | 0.8814 |
349 | 6NT | 0.8814 |
350 | QMP | 0.8813 |
351 | 3HG | 0.8813 |
352 | HDH | 0.8811 |
353 | TAG | 0.8811 |
354 | CFI | 0.8811 |
355 | 14W | 0.8810 |
356 | 97T | 0.8810 |
357 | M5H | 0.8809 |
358 | MUC | 0.8807 |
359 | EGR | 0.8806 |
360 | 92G | 0.8806 |
361 | ATX | 0.8806 |
362 | LX1 | 0.8806 |
363 | DHS | 0.8805 |
364 | K80 | 0.8804 |
365 | 152 | 0.8801 |
366 | YIH | 0.8800 |
367 | 3IL | 0.8798 |
368 | S7G | 0.8795 |
369 | DLT | 0.8794 |
370 | SNO | 0.8794 |
371 | 4VY | 0.8793 |
372 | LYS | 0.8792 |
373 | DC5 | 0.8792 |
374 | LTN | 0.8790 |
375 | 1FD | 0.8789 |
376 | LUQ | 0.8788 |
377 | TLM | 0.8787 |
378 | APS | 0.8784 |
379 | CUT | 0.8784 |
380 | N2I | 0.8783 |
381 | RMN | 0.8781 |
382 | AAN | 0.8780 |
383 | AX3 | 0.8777 |
384 | CMU | 0.8776 |
385 | 0JD | 0.8776 |
386 | 15N | 0.8776 |
387 | BPW | 0.8775 |
388 | MEQ | 0.8774 |
389 | IYR | 0.8774 |
390 | F52 | 0.8772 |
391 | SEP | 0.8770 |
392 | 41K | 0.8767 |
393 | M2E | 0.8766 |
394 | HWD | 0.8765 |
395 | E9P | 0.8764 |
396 | S0E | 0.8763 |
397 | HG3 | 0.8760 |
398 | 9RH | 0.8760 |
399 | Q04 | 0.8759 |
400 | QBM | 0.8756 |
401 | XIY | 0.8756 |
402 | I4B | 0.8755 |
403 | MZT | 0.8753 |
404 | RNO | 0.8753 |
405 | 4SX | 0.8752 |
406 | BL0 | 0.8751 |
407 | 13P | 0.8751 |
408 | 1WC | 0.8749 |
409 | L22 | 0.8749 |
410 | GLO | 0.8747 |
411 | HMS | 0.8746 |
412 | 4XF | 0.8746 |
413 | JDN | 0.8744 |
414 | PDC | 0.8744 |
415 | PJL | 0.8743 |
416 | PEL | 0.8742 |
417 | N2Z | 0.8741 |
418 | PHU | 0.8741 |
419 | BHU | 0.8738 |
420 | AT3 | 0.8736 |
421 | IOP | 0.8736 |
422 | EXG | 0.8736 |
423 | 8G0 | 0.8733 |
424 | TB8 | 0.8731 |
425 | AG2 | 0.8731 |
426 | YF3 | 0.8730 |
427 | 9ZE | 0.8730 |
428 | DER | 0.8727 |
429 | 069 | 0.8727 |
430 | 5DL | 0.8726 |
431 | JB8 | 0.8722 |
432 | ILO | 0.8722 |
433 | SBK | 0.8722 |
434 | BCU | 0.8722 |
435 | DHM | 0.8721 |
436 | 3S5 | 0.8721 |
437 | A9P | 0.8720 |
438 | 5RP | 0.8720 |
439 | L14 | 0.8720 |
440 | L13 | 0.8717 |
441 | NIZ | 0.8715 |
442 | 33S | 0.8715 |
443 | QFJ | 0.8710 |
444 | HL5 | 0.8706 |
445 | 5PV | 0.8705 |
446 | T03 | 0.8704 |
447 | IP8 | 0.8704 |
448 | 3VR | 0.8703 |
449 | FWD | 0.8703 |
450 | GAE | 0.8701 |
451 | DHB | 0.8700 |
452 | N3W | 0.8698 |
453 | 4FA | 0.8696 |
454 | FOM | 0.8695 |
455 | A5E | 0.8695 |
456 | SOR | 0.8694 |
457 | 9BF | 0.8694 |
458 | 5GT | 0.8694 |
459 | DEW | 0.8693 |
460 | CK2 | 0.8691 |
461 | NM3 | 0.8689 |
462 | SME | 0.8688 |
463 | F63 | 0.8685 |
464 | OMD | 0.8683 |
465 | BDJ | 0.8682 |
466 | YRL | 0.8679 |
467 | RBJ | 0.8677 |
468 | NVU | 0.8677 |
469 | 0LH | 0.8677 |
470 | TOM | 0.8676 |
471 | XDE | 0.8676 |
472 | A8K | 0.8674 |
473 | PGH | 0.8671 |
474 | 92K | 0.8670 |
475 | GRF | 0.8670 |
476 | RUJ | 0.8667 |
477 | FEH | 0.8665 |
478 | BP3 | 0.8664 |
479 | E35 | 0.8664 |
480 | SDD | 0.8664 |
481 | TSS | 0.8663 |
482 | CCE | 0.8662 |
483 | OHP | 0.8661 |
484 | CCU | 0.8660 |
485 | 2J5 | 0.8658 |
486 | PLR | 0.8657 |
487 | Q02 | 0.8656 |
488 | GOJ | 0.8656 |
489 | 2B4 | 0.8656 |
490 | 23N | 0.8655 |
491 | CTE | 0.8654 |
492 | GPJ | 0.8653 |
493 | GPF | 0.8653 |
494 | ENV | 0.8650 |
495 | 717 | 0.8648 |
496 | ACA | 0.8648 |
497 | 5VL | 0.8644 |
498 | OTR | 0.8642 |
499 | MTL | 0.8642 |
500 | 2BG | 0.8641 |
501 | ZZU | 0.8638 |
502 | FBJ | 0.8638 |
503 | AEF | 0.8637 |
504 | TZF | 0.8634 |
505 | GLY GLY | 0.8634 |
506 | N6C | 0.8628 |
507 | GZQ | 0.8627 |
508 | 2GA | 0.8626 |
509 | 2LT | 0.8623 |
510 | 5FX | 0.8622 |
511 | MR1 | 0.8618 |
512 | TCL | 0.8616 |
513 | CHH | 0.8613 |
514 | ALA ALA | 0.8612 |
515 | MAH | 0.8608 |
516 | 1XA | 0.8603 |
517 | Y4L | 0.8602 |
518 | RNS | 0.8602 |
519 | G14 | 0.8601 |
520 | PLP | 0.8599 |
521 | RTK | 0.8597 |
522 | CCD | 0.8597 |
523 | H48 | 0.8595 |
524 | NM2 | 0.8593 |
525 | IWD | 0.8590 |
526 | XUL | 0.8589 |
527 | CWD | 0.8587 |
528 | STT | 0.8586 |
529 | PC | 0.8580 |
530 | 2MR | 0.8576 |
531 | N1E | 0.8575 |
532 | BWD | 0.8574 |
533 | AMR | 0.8573 |
534 | PYU | 0.8572 |
535 | DE5 | 0.8567 |
536 | AMH | 0.8566 |
537 | ASC | 0.8566 |
538 | BTM | 0.8564 |
539 | NMM | 0.8559 |
540 | DEE | 0.8558 |
541 | TQL | 0.8556 |
542 | ORN | 0.8554 |
543 | GP9 | 0.8553 |
544 | KPC | 0.8542 |
545 | PEA | 0.8526 |
546 | HQ9 | 0.8515 |
This union binding pocket(no: 1) in the query (biounit: 3pb9.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |