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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 | 4PEE | - | 2OX | C13 H16 N4 O2 | C[C@H]1[C@.... |
2 | 2XII | Kd = 63.3 nM | TA9 | C21 H22 N2 O5 | C[C@H]1[C@.... |
3 | 2WVS | - | FUF | C6 H11 F O4 | C[C@H]1[C@.... |
4 | 2WVU | - | JFZ | C12 H15 N O7 | C[C@H]1[C@.... |
5 | 4J28 | Ki = 2 uM | EAT | C12 H15 N3 O2 | C[C@H]1[C@.... |
6 | 6HZY | Ki = 121 uM | GYZ | C13 H16 N2 O6 | C[C@H]1[C@.... |
7 | 4JFT | Ki = 3.5 uM | 1KN | C12 H17 N O3 | C[C@H]1[C@.... |
8 | 4PCS | - | 2M7 | C13 H15 N O2 | C[C@H]1[C@.... |
9 | 4JFU | - | K80 | C12 H17 N O2 | Cc1ccc(cc1.... |
10 | 4JFV | Ki = 0.52 uM | H57 | C18 H26 Fe N2 O2 | CC1C(C(C(N.... |
11 | 2XIB | Kd = 55.1 nM | DFU | C6 H13 N O3 | C[C@H]1[C@.... |
12 | 4PCT | - | H76 | C7 H11 N O2 | C[C@H]1[C@.... |
13 | 4JFS | Ki = 5.4 uM | 16Z | C13 H19 N O3 | C[C@H]1[C@.... |
14 | 4JFW | Ki = 0.46 uM | H58 | C20 H30 Fe N2 O2 | CC1C(C(C(N.... |
15 | 2WVT | Kd = 755 nM | FHN | C7 H16 N O5 | C([C@H]1[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 4PEE | - | 2OX | C13 H16 N4 O2 | C[C@H]1[C@.... |
2 | 2XII | Kd = 63.3 nM | TA9 | C21 H22 N2 O5 | C[C@H]1[C@.... |
3 | 2WVS | - | FUF | C6 H11 F O4 | C[C@H]1[C@.... |
4 | 2WVU | - | JFZ | C12 H15 N O7 | C[C@H]1[C@.... |
5 | 4J28 | Ki = 2 uM | EAT | C12 H15 N3 O2 | C[C@H]1[C@.... |
6 | 6HZY | Ki = 121 uM | GYZ | C13 H16 N2 O6 | C[C@H]1[C@.... |
7 | 4JFT | Ki = 3.5 uM | 1KN | C12 H17 N O3 | C[C@H]1[C@.... |
8 | 4PCS | - | 2M7 | C13 H15 N O2 | C[C@H]1[C@.... |
9 | 4JFU | - | K80 | C12 H17 N O2 | Cc1ccc(cc1.... |
10 | 4JFV | Ki = 0.52 uM | H57 | C18 H26 Fe N2 O2 | CC1C(C(C(N.... |
11 | 2XIB | Kd = 55.1 nM | DFU | C6 H13 N O3 | C[C@H]1[C@.... |
12 | 4PCT | - | H76 | C7 H11 N O2 | C[C@H]1[C@.... |
13 | 4JFS | Ki = 5.4 uM | 16Z | C13 H19 N O3 | C[C@H]1[C@.... |
14 | 4JFW | Ki = 0.46 uM | H58 | C20 H30 Fe N2 O2 | CC1C(C(C(N.... |
15 | 2WVT | Kd = 755 nM | FHN | C7 H16 N O5 | C([C@H]1[C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FHN | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GXL | 0.9800 |
2 | MFU | 0.9723 |
3 | BMA | 0.9673 |
4 | MMA | 0.9591 |
5 | GIV | 0.9581 |
6 | SHG | 0.9563 |
7 | MAN | 0.9556 |
8 | BGC | 0.9537 |
9 | SFU | 0.9529 |
10 | FUC | 0.9520 |
11 | GCS | 0.9503 |
12 | GLC | 0.9450 |
13 | G3F | 0.9447 |
14 | 8S0 | 0.9438 |
15 | TFU | 0.9427 |
16 | GAL | 0.9414 |
17 | ZWZ | 0.9410 |
18 | H6B | 0.9404 |
19 | LGC | 0.9401 |
20 | FSW | 0.9400 |
21 | FUL | 0.9356 |
22 | LKA | 0.9336 |
23 | 95Z | 0.9333 |
24 | GLA | 0.9314 |
25 | GOX | 0.9308 |
26 | AMG | 0.9307 |
27 | WOO | 0.9297 |
28 | 2H5 | 0.9296 |
29 | MFB | 0.9295 |
30 | GTL | 0.9288 |
31 | 329 | 0.9276 |
32 | BDP | 0.9274 |
33 | MBG | 0.9264 |
34 | RAM | 0.9263 |
35 | 7WR | 0.9236 |
36 | FUF | 0.9226 |
37 | LSA | 0.9223 |
38 | KIB | 0.9218 |
39 | SKM | 0.9218 |
40 | V55 | 0.9215 |
41 | C2U | 0.9213 |
42 | 3MG | 0.9209 |
43 | IJZ | 0.9197 |
44 | GCU | 0.9196 |
45 | II6 | 0.9195 |
46 | 948 | 0.9193 |
47 | QIC | 0.9192 |
48 | KBG | 0.9191 |
49 | FOT | 0.9191 |
50 | YIO | 0.9188 |
51 | UEG | 0.9184 |
52 | EVA | 0.9182 |
53 | NOJ | 0.9182 |
54 | GYP | 0.9181 |
55 | ALL | 0.9174 |
56 | MVL | 0.9169 |
57 | X6X | 0.9166 |
58 | 9MG | 0.9164 |
59 | UAN | 0.9164 |
60 | 149 | 0.9164 |
61 | GIM | 0.9162 |
62 | AH8 | 0.9158 |
63 | G6D | 0.9153 |
64 | 25W | 0.9151 |
65 | DHK | 0.9151 |
66 | EUG | 0.9150 |
67 | G2F | 0.9150 |
68 | 9DG | 0.9147 |
69 | G4D | 0.9146 |
70 | GDE | 0.9143 |
71 | ADA | 0.9142 |
72 | 2FG | 0.9138 |
73 | PXL | 0.9136 |
74 | SWA | 0.9127 |
75 | 7VS | 0.9123 |
76 | GCB | 0.9121 |
77 | 7VJ | 0.9116 |
78 | 7D2 | 0.9112 |
79 | 2ZQ | 0.9108 |
80 | GUN | 0.9106 |
81 | PSV | 0.9106 |
82 | T6C | 0.9105 |
83 | GT0 | 0.9097 |
84 | XXR | 0.9095 |
85 | NTM | 0.9094 |
86 | GIO | 0.9092 |
87 | 1GN | 0.9092 |
88 | FRU | 0.9089 |
89 | NTZ | 0.9086 |
90 | GTR | 0.9085 |
91 | GLT | 0.9085 |
92 | XAN | 0.9085 |
93 | 4HC | 0.9080 |
94 | FA3 | 0.9079 |
95 | GAF | 0.9076 |
96 | KJY | 0.9073 |
97 | 4HM | 0.9071 |
98 | IFL | 0.9067 |
99 | 5WY | 0.9066 |
100 | PXM | 0.9064 |
101 | KIA | 0.9061 |
102 | SF9 | 0.9059 |
103 | BDF | 0.9057 |
104 | I3A | 0.9056 |
105 | 3R9 | 0.9055 |
106 | EXO | 0.9053 |
107 | QSH | 0.9053 |
108 | 6LW | 0.9048 |
109 | VNL | 0.9047 |
110 | LFR | 0.9045 |
111 | CGB | 0.9044 |
112 | 7MH | 0.9044 |
113 | MNM | 0.9042 |
114 | FA6 | 0.9036 |
115 | DZX | 0.9036 |
116 | GNL | 0.9033 |
117 | GLF | 0.9031 |
118 | RNS | 0.9031 |
119 | F0J | 0.9030 |
120 | Q6T | 0.9029 |
121 | Q88 | 0.9029 |
122 | 5WX | 0.9027 |
123 | LCN | 0.9026 |
124 | YSO | 0.9026 |
125 | 3Z7 | 0.9026 |
126 | INS | 0.9025 |
127 | 42C | 0.9025 |
128 | DBJ | 0.9023 |
129 | URC | 0.9022 |
130 | IPZ | 0.9021 |
131 | ARW | 0.9018 |
132 | MO8 | 0.9017 |
133 | RM4 | 0.9015 |
134 | NDM | 0.9015 |
135 | 7ZE | 0.9011 |
136 | I1N | 0.9011 |
137 | 8VN | 0.9009 |
138 | PFB | 0.9008 |
139 | FCB | 0.9003 |
140 | 7HQ | 0.9003 |
141 | M1E | 0.9003 |
142 | 4XV | 0.9002 |
143 | DMJ | 0.9001 |
144 | DIE | 0.9000 |
145 | ASO | 0.8997 |
146 | SOE | 0.8996 |
147 | PA1 | 0.8995 |
148 | 4XS | 0.8994 |
149 | MA3 | 0.8993 |
150 | CTS | 0.8991 |
151 | 680 | 0.8987 |
152 | NGO | 0.8986 |
153 | AKH | 0.8985 |
154 | ZB1 | 0.8983 |
155 | SXS | 0.8983 |
156 | ABE | 0.8976 |
157 | 9PY | 0.8975 |
158 | M1Q | 0.8973 |
159 | SF6 | 0.8973 |
160 | GTQ | 0.8966 |
161 | 2MN | 0.8964 |
162 | DQA | 0.8963 |
163 | FE DB1 | 0.8959 |
164 | 5RG | 0.8957 |
165 | HLZ | 0.8956 |
166 | FDK | 0.8954 |
167 | M0W | 0.8947 |
168 | 3IT | 0.8947 |
169 | PRZ | 0.8947 |
170 | HQD | 0.8946 |
171 | 54G | 0.8944 |
172 | AEZ | 0.8943 |
173 | 0P6 | 0.8943 |
174 | NGT | 0.8942 |
175 | 5M0 | 0.8942 |
176 | Q24 | 0.8937 |
177 | GYE | 0.8934 |
178 | FCA | 0.8933 |
179 | DIG | 0.8932 |
180 | FH2 | 0.8928 |
181 | M1H | 0.8927 |
182 | X05 | 0.8927 |
183 | B53 | 0.8920 |
184 | DOR | 0.8920 |
185 | TEP | 0.8919 |
186 | GOO | 0.8919 |
187 | HH5 | 0.8917 |
188 | PHT | 0.8916 |
189 | X09 | 0.8915 |
190 | 9TZ | 0.8914 |
191 | RIB | 0.8911 |
192 | 1LQ | 0.8909 |
193 | H62 | 0.8909 |
194 | J9W | 0.8908 |
195 | 8TX | 0.8907 |
196 | QPR | 0.8906 |
197 | GTZ | 0.8905 |
198 | 5MK | 0.8904 |
199 | ENL | 0.8903 |
200 | ASC | 0.8903 |
201 | 2A7 | 0.8903 |
202 | 3C7 | 0.8903 |
203 | NOY | 0.8903 |
204 | 3DO | 0.8902 |
205 | 12M | 0.8901 |
206 | ISE | 0.8901 |
207 | LRH | 0.8899 |
208 | AHR | 0.8899 |
209 | K3Q | 0.8899 |
210 | SOR | 0.8898 |
211 | SRO | 0.8896 |
212 | HTP | 0.8891 |
213 | EMZ | 0.8888 |
214 | HX3 | 0.8888 |
215 | AZF | 0.8884 |
216 | 94B | 0.8884 |
217 | HNQ | 0.8883 |
218 | B57 | 0.8881 |
219 | 0W8 | 0.8877 |
220 | AIN | 0.8874 |
221 | HJP | 0.8873 |
222 | FGZ | 0.8871 |
223 | UNC | 0.8871 |
224 | MSN | 0.8870 |
225 | ZZ3 | 0.8868 |
226 | OXZ | 0.8867 |
227 | BTE | 0.8863 |
228 | DGJ | 0.8863 |
229 | 4M4 | 0.8862 |
230 | ZXD | 0.8857 |
231 | VOH | 0.8856 |
232 | TRA | 0.8853 |
233 | AZA | 0.8851 |
234 | FLC | 0.8851 |
235 | M5K | 0.8850 |
236 | 7HP | 0.8848 |
237 | JTH | 0.8846 |
238 | MZB | 0.8845 |
239 | PE0 | 0.8844 |
240 | 2GS | 0.8843 |
241 | XH2 | 0.8841 |
242 | HPA | 0.8841 |
243 | KG1 | 0.8840 |
244 | GOG | 0.8837 |
245 | RIP | 0.8837 |
246 | DFU | 0.8836 |
247 | 6AP | 0.8836 |
248 | 4AA | 0.8835 |
249 | VK3 | 0.8834 |
250 | 1XM | 0.8834 |
251 | 8WQ | 0.8831 |
252 | 6CS | 0.8829 |
253 | 15L | 0.8828 |
254 | 4P0 | 0.8828 |
255 | 495 | 0.8826 |
256 | CN0 | 0.8826 |
257 | IGA | 0.8824 |
258 | TVP | 0.8823 |
259 | FA0 | 0.8821 |
260 | E7Z | 0.8821 |
261 | 3DM | 0.8819 |
262 | CIT | 0.8817 |
263 | P9P | 0.8817 |
264 | 06B | 0.8816 |
265 | S76 | 0.8816 |
266 | CTL | 0.8813 |
267 | BOA | 0.8812 |
268 | FDB | 0.8810 |
269 | 39U | 0.8810 |
270 | HDL | 0.8807 |
271 | 5CU | 0.8804 |
272 | 3XX | 0.8803 |
273 | SYA | 0.8800 |
274 | KOJ | 0.8800 |
275 | H76 | 0.8799 |
276 | YH7 | 0.8797 |
277 | 35C | 0.8795 |
278 | IFM | 0.8794 |
279 | RPQ | 0.8794 |
280 | 82I | 0.8794 |
281 | A2F | 0.8794 |
282 | GRE | 0.8794 |
283 | XYP | 0.8793 |
284 | 9TW | 0.8791 |
285 | DOB | 0.8790 |
286 | EOL | 0.8789 |
287 | UFO | 0.8789 |
288 | 4M0 | 0.8787 |
289 | AJ2 | 0.8782 |
290 | PRF | 0.8781 |
291 | CFF | 0.8780 |
292 | NDH | 0.8780 |
293 | DQN | 0.8780 |
294 | 5NU | 0.8779 |
295 | MEW | 0.8779 |
296 | B0D | 0.8778 |
297 | DBH | 0.8778 |
298 | 6M1 | 0.8776 |
299 | R8V | 0.8776 |
300 | AZ8 | 0.8775 |
301 | LXC | 0.8775 |
302 | 141 | 0.8772 |
303 | 3HA | 0.8772 |
304 | 7NI | 0.8771 |
305 | F5B | 0.8768 |
306 | 6GU | 0.8768 |
307 | F12 | 0.8767 |
308 | DHB | 0.8767 |
309 | DEE | 0.8766 |
310 | 6F0 | 0.8765 |
311 | FPY | 0.8762 |
312 | 261 | 0.8762 |
313 | APZ | 0.8762 |
314 | AQO | 0.8761 |
315 | 5QX | 0.8761 |
316 | NGW | 0.8760 |
317 | ZZ8 | 0.8760 |
318 | GL1 | 0.8758 |
319 | 4NC | 0.8757 |
320 | 3F0 | 0.8757 |
321 | YQA | 0.8756 |
322 | HZQ | 0.8755 |
323 | BCP | 0.8755 |
324 | QAT | 0.8754 |
325 | DX4 | 0.8751 |
326 | INO | 0.8749 |
327 | MYJ | 0.8749 |
328 | ICT | 0.8748 |
329 | 12B | 0.8747 |
330 | LZM | 0.8747 |
331 | 7A2 | 0.8746 |
332 | 93K | 0.8746 |
333 | EJZ | 0.8746 |
334 | 293 | 0.8743 |
335 | Z5P | 0.8742 |
336 | MT0 | 0.8741 |
337 | AEH | 0.8741 |
338 | QAS | 0.8741 |
339 | KLW | 0.8740 |
340 | 3M0 | 0.8738 |
341 | 0CU | 0.8737 |
342 | B55 | 0.8736 |
343 | KDO | 0.8735 |
344 | XX2 | 0.8733 |
345 | 8VE | 0.8731 |
346 | H7Y | 0.8730 |
347 | TTY | 0.8730 |
348 | 39A | 0.8730 |
349 | REL | 0.8724 |
350 | JIF | 0.8723 |
351 | XYS | 0.8722 |
352 | XUL | 0.8717 |
353 | FP1 | 0.8717 |
354 | 42A | 0.8715 |
355 | 3RK | 0.8713 |
356 | GCW | 0.8712 |
357 | 290 | 0.8710 |
358 | 0RN | 0.8709 |
359 | RAT | 0.8707 |
360 | AFR | 0.8703 |
361 | D07 | 0.8703 |
362 | MT5 | 0.8702 |
363 | ES0 | 0.8701 |
364 | ARB | 0.8699 |
365 | 2D0 | 0.8697 |
366 | IF7 | 0.8694 |
367 | F81 | 0.8692 |
368 | 7B4 | 0.8692 |
369 | AZ9 | 0.8692 |
370 | GJS | 0.8692 |
371 | 67N | 0.8690 |
372 | BHA | 0.8689 |
373 | AZG | 0.8687 |
374 | 4XR | 0.8686 |
375 | B62 | 0.8684 |
376 | NQ | 0.8684 |
377 | RXA | 0.8684 |
378 | MIG | 0.8683 |
379 | GXY | 0.8683 |
380 | M6N | 0.8679 |
381 | PYQ | 0.8676 |
382 | GZ8 | 0.8675 |
383 | 3MA | 0.8673 |
384 | D3M | 0.8672 |
385 | G1O | 0.8671 |
386 | IPT | 0.8669 |
387 | 23A | 0.8668 |
388 | 7A3 | 0.8668 |
389 | CFP | 0.8667 |
390 | 2CZ | 0.8664 |
391 | CWS | 0.8663 |
392 | DFB | 0.8663 |
393 | 0N7 | 0.8662 |
394 | 60Q | 0.8662 |
395 | 7B3 | 0.8662 |
396 | CWM | 0.8660 |
397 | 2HO | 0.8658 |
398 | PQ0 | 0.8657 |
399 | GM7 | 0.8656 |
400 | KP6 | 0.8650 |
401 | A7W | 0.8648 |
402 | 8CM | 0.8647 |
403 | IV2 | 0.8647 |
404 | UQ | 0.8647 |
405 | ADK | 0.8641 |
406 | P3K | 0.8639 |
407 | KUF | 0.8635 |
408 | G5V | 0.8634 |
409 | FBG | 0.8634 |
410 | HH8 | 0.8633 |
411 | BTY | 0.8627 |
412 | M1A | 0.8622 |
413 | A65 | 0.8621 |
414 | JUG | 0.8620 |
415 | JFD | 0.8616 |
416 | GCV | 0.8613 |
417 | SJ5 | 0.8610 |
418 | PX7 | 0.8606 |
419 | 5FN | 0.8605 |
420 | 44V | 0.8596 |
421 | DPZ | 0.8591 |
422 | N8Y | 0.8591 |
423 | 1XN | 0.8589 |
424 | CKX | 0.8588 |
425 | 2ZV | 0.8582 |
426 | 3TJ | 0.8582 |
427 | 2F8 | 0.8579 |
428 | XAZ | 0.8579 |
429 | NID | 0.8578 |
430 | 37T | 0.8575 |
431 | MRW | 0.8573 |
432 | SR1 | 0.8565 |
433 | 260 | 0.8560 |
434 | 9KT | 0.8559 |
435 | 6KX | 0.8559 |
436 | Z6J | 0.8557 |
437 | RBL | 0.8554 |
438 | DIN | 0.8553 |
439 | ES1 | 0.8551 |
440 | B60 | 0.8550 |
441 | KT7 | 0.8549 |
442 | SVD | 0.8542 |
443 | GC3 | 0.8541 |
444 | KDF | 0.8540 |
445 | 1NP | 0.8539 |
446 | NFQ | 0.8538 |
447 | H33 | 0.8536 |
448 | N5J | 0.8533 |
449 | 9FQ | 0.8528 |
450 | FHB | 0.8527 |
451 | NNO | 0.8526 |
452 | 5Q0 | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 2xib.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2xib.bio4) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2xib.bio3) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2xib.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |