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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 22 families. | |||||
1 | 5BX3 | Ki = 0.13 uM | NOJ | C6 H13 N O4 | C1[C@@H]([.... |
2 | 5O0S | - | 9FQ | C7 H12 O8 S | C([C@@H]1[.... |
3 | 5BX4 | Ki = 0.34 uM | GIM | C8 H13 N2 O4 | c1c[n+]2c(.... |
4 | 5OST | Kd = 27.3 uM | AEZ | C8 H12 N2 O4 | c1[nH]c2c(.... |
5 | 5BX5 | Ki = 4 mM | BGC | C6 H12 O6 | C([C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 5BX3 | Ki = 0.13 uM | NOJ | C6 H13 N O4 | C1[C@@H]([.... |
2 | 5O0S | - | 9FQ | C7 H12 O8 S | C([C@@H]1[.... |
3 | 5BX4 | Ki = 0.34 uM | GIM | C8 H13 N2 O4 | c1c[n+]2c(.... |
4 | 5OST | Kd = 27.3 uM | AEZ | C8 H12 N2 O4 | c1[nH]c2c(.... |
5 | 5BX5 | Ki = 4 mM | BGC | C6 H12 O6 | C([C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GIM | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NTZ | 1.0000 |
2 | AEZ | 1.0000 |
3 | HTP | 0.9957 |
4 | TEP | 0.9792 |
5 | MVL | 0.9764 |
6 | GTZ | 0.9700 |
7 | K17 | 0.9639 |
8 | GOX | 0.9570 |
9 | DQN | 0.9558 |
10 | 5WX | 0.9554 |
11 | CFF | 0.9535 |
12 | YSO | 0.9532 |
13 | 3WA | 0.9495 |
14 | KIF | 0.9494 |
15 | RPQ | 0.9488 |
16 | TBS | 0.9475 |
17 | 06B | 0.9469 |
18 | KIB | 0.9442 |
19 | 9KT | 0.9414 |
20 | 680 | 0.9411 |
21 | 7B3 | 0.9400 |
22 | LI6 | 0.9395 |
23 | H33 | 0.9393 |
24 | 209 | 0.9392 |
25 | ISE | 0.9392 |
26 | K32 | 0.9382 |
27 | KJY | 0.9382 |
28 | UEG | 0.9381 |
29 | GCW | 0.9379 |
30 | G3F | 0.9370 |
31 | ZVO | 0.9362 |
32 | BGC | 0.9362 |
33 | B57 | 0.9357 |
34 | GOG | 0.9353 |
35 | PFB | 0.9338 |
36 | GLC | 0.9337 |
37 | 3MG | 0.9333 |
38 | 8S0 | 0.9328 |
39 | 8XQ | 0.9320 |
40 | MT5 | 0.9319 |
41 | MIG | 0.9314 |
42 | HFB | 0.9313 |
43 | PHH | 0.9310 |
44 | JUG | 0.9310 |
45 | VK3 | 0.9306 |
46 | NDM | 0.9296 |
47 | 7VJ | 0.9293 |
48 | GRE | 0.9286 |
49 | HLZ | 0.9283 |
50 | FLV | 0.9280 |
51 | GCV | 0.9278 |
52 | PCI | 0.9277 |
53 | AMG | 0.9274 |
54 | G1O | 0.9270 |
55 | PXL | 0.9267 |
56 | M0Q | 0.9265 |
57 | HQD | 0.9260 |
58 | INS | 0.9260 |
59 | LGC | 0.9255 |
60 | IBM | 0.9255 |
61 | NTM | 0.9250 |
62 | FOT | 0.9239 |
63 | 12B | 0.9234 |
64 | GUN | 0.9233 |
65 | G5V | 0.9229 |
66 | 7VS | 0.9228 |
67 | UQ | 0.9228 |
68 | GCS | 0.9226 |
69 | GLA | 0.9224 |
70 | 6F0 | 0.9220 |
71 | MXX | 0.9220 |
72 | K8X | 0.9218 |
73 | NQ | 0.9216 |
74 | GT0 | 0.9216 |
75 | DPZ | 0.9215 |
76 | JBQ | 0.9213 |
77 | 7ZE | 0.9213 |
78 | 18N | 0.9210 |
79 | BNT | 0.9210 |
80 | GCU | 0.9208 |
81 | MA3 | 0.9205 |
82 | B60 | 0.9205 |
83 | HH5 | 0.9204 |
84 | AZ9 | 0.9195 |
85 | 9DG | 0.9193 |
86 | 4HC | 0.9192 |
87 | RXA | 0.9191 |
88 | MMA | 0.9188 |
89 | QWW | 0.9186 |
90 | 6M1 | 0.9186 |
91 | SHG | 0.9185 |
92 | QX2 | 0.9184 |
93 | DBJ | 0.9184 |
94 | PHT | 0.9181 |
95 | F3B | 0.9179 |
96 | PYQ | 0.9176 |
97 | MAQ | 0.9173 |
98 | BCF | 0.9172 |
99 | BSP | 0.9171 |
100 | GCB | 0.9171 |
101 | HNQ | 0.9167 |
102 | IJZ | 0.9166 |
103 | FHN | 0.9162 |
104 | PX7 | 0.9157 |
105 | Q6T | 0.9156 |
106 | K6X | 0.9155 |
107 | 2ZQ | 0.9155 |
108 | 9MG | 0.9155 |
109 | GYP | 0.9153 |
110 | XAN | 0.9152 |
111 | IBF | 0.9151 |
112 | BDP | 0.9147 |
113 | QAT | 0.9146 |
114 | BBF | 0.9144 |
115 | 329 | 0.9144 |
116 | UNC | 0.9142 |
117 | URC | 0.9142 |
118 | MAN | 0.9141 |
119 | K22 | 0.9139 |
120 | UAN | 0.9138 |
121 | MBG | 0.9131 |
122 | GTL | 0.9130 |
123 | 37T | 0.9130 |
124 | 3HA | 0.9129 |
125 | 3R9 | 0.9128 |
126 | 2MN | 0.9126 |
127 | CLZ | 0.9123 |
128 | 5QX | 0.9120 |
129 | DBH | 0.9119 |
130 | GLT | 0.9115 |
131 | 2ZV | 0.9115 |
132 | EJZ | 0.9115 |
133 | KBG | 0.9114 |
134 | HZQ | 0.9110 |
135 | 0N7 | 0.9110 |
136 | 495 | 0.9110 |
137 | C2U | 0.9110 |
138 | NOJ | 0.9106 |
139 | SYA | 0.9105 |
140 | FDB | 0.9104 |
141 | GAL | 0.9102 |
142 | 3IT | 0.9101 |
143 | 15L | 0.9092 |
144 | 42C | 0.9092 |
145 | MT0 | 0.9090 |
146 | CTS | 0.9090 |
147 | 948 | 0.9087 |
148 | X05 | 0.9085 |
149 | PXM | 0.9085 |
150 | MT8 | 0.9084 |
151 | FH2 | 0.9083 |
152 | GLG | 0.9081 |
153 | 2H5 | 0.9080 |
154 | 39A | 0.9080 |
155 | TTL | 0.9080 |
156 | 226 | 0.9074 |
157 | Q7A | 0.9072 |
158 | M1H | 0.9071 |
159 | HJP | 0.9069 |
160 | 5WY | 0.9067 |
161 | ADK | 0.9065 |
162 | KLW | 0.9065 |
163 | GJS | 0.9065 |
164 | 3GQ | 0.9063 |
165 | TTY | 0.9061 |
166 | 1LQ | 0.9060 |
167 | BMA | 0.9060 |
168 | G2F | 0.9056 |
169 | GM7 | 0.9053 |
170 | 8VE | 0.9052 |
171 | EVA | 0.9048 |
172 | 1U6 | 0.9048 |
173 | GAF | 0.9047 |
174 | PE0 | 0.9043 |
175 | FBG | 0.9042 |
176 | INE | 0.9040 |
177 | M3S | 0.9040 |
178 | HXX | 0.9035 |
179 | 7NI | 0.9033 |
180 | AKH | 0.9030 |
181 | 3C2 | 0.9027 |
182 | J9W | 0.9027 |
183 | DX4 | 0.9026 |
184 | 3F0 | 0.9026 |
185 | A2F | 0.9025 |
186 | 141 | 0.9023 |
187 | AZG | 0.9020 |
188 | 6AP | 0.9020 |
189 | 3C1 | 0.9019 |
190 | 0P6 | 0.9019 |
191 | 32X | 0.9017 |
192 | 3M0 | 0.9017 |
193 | 290 | 0.9016 |
194 | Q24 | 0.9014 |
195 | X09 | 0.9014 |
196 | AZA | 0.9014 |
197 | IGA | 0.9011 |
198 | AZ8 | 0.9011 |
199 | 6GU | 0.9010 |
200 | 94E | 0.9007 |
201 | OA3 | 0.9007 |
202 | AQO | 0.9005 |
203 | YQA | 0.9000 |
204 | X6X | 0.9000 |
205 | 82I | 0.8997 |
206 | HHA | 0.8996 |
207 | M0W | 0.8995 |
208 | 0CU | 0.8993 |
209 | APZ | 0.8993 |
210 | 1XN | 0.8992 |
211 | G6D | 0.8990 |
212 | M5K | 0.8990 |
213 | BTE | 0.8988 |
214 | CFP | 0.8987 |
215 | EQT | 0.8987 |
216 | DHQ | 0.8986 |
217 | GIO | 0.8986 |
218 | MEW | 0.8985 |
219 | M1A | 0.8985 |
220 | FDK | 0.8983 |
221 | ADA | 0.8981 |
222 | ZB1 | 0.8981 |
223 | TOF | 0.8980 |
224 | 4AA | 0.8976 |
225 | KFH | 0.8976 |
226 | 3MA | 0.8972 |
227 | VNL | 0.8972 |
228 | JKZ | 0.8971 |
229 | 8TX | 0.8971 |
230 | D07 | 0.8970 |
231 | AJ2 | 0.8970 |
232 | K3Q | 0.8970 |
233 | NID | 0.8970 |
234 | BEA | 0.8970 |
235 | I1N | 0.8968 |
236 | 1XM | 0.8967 |
237 | 5RG | 0.8966 |
238 | 25W | 0.8966 |
239 | DNC | 0.8965 |
240 | MAG | 0.8961 |
241 | PQ0 | 0.8961 |
242 | FSW | 0.8961 |
243 | 3FH | 0.8960 |
244 | B53 | 0.8957 |
245 | 3RI | 0.8954 |
246 | SXS | 0.8954 |
247 | 2FG | 0.8953 |
248 | QAS | 0.8953 |
249 | MFU | 0.8952 |
250 | QX4 | 0.8952 |
251 | DIU | 0.8951 |
252 | M1E | 0.8949 |
253 | JU2 | 0.8949 |
254 | X8D | 0.8949 |
255 | GZ8 | 0.8946 |
256 | 5RO | 0.8944 |
257 | GTQ | 0.8941 |
258 | 94B | 0.8940 |
259 | CN0 | 0.8938 |
260 | I3A | 0.8938 |
261 | KYD | 0.8935 |
262 | 5NS | 0.8935 |
263 | CKX | 0.8935 |
264 | MO8 | 0.8934 |
265 | D3M | 0.8934 |
266 | PA1 | 0.8934 |
267 | LSA | 0.8934 |
268 | 4AN | 0.8933 |
269 | Z5P | 0.8932 |
270 | 1X7 | 0.8928 |
271 | 7HQ | 0.8927 |
272 | GIV | 0.8927 |
273 | FBT | 0.8927 |
274 | BCP | 0.8924 |
275 | EXO | 0.8920 |
276 | KIA | 0.8919 |
277 | 6BL | 0.8919 |
278 | GSY | 0.8918 |
279 | XXR | 0.8918 |
280 | BOA | 0.8917 |
281 | 4KL | 0.8916 |
282 | 5WU | 0.8915 |
283 | AFR | 0.8915 |
284 | PRF | 0.8914 |
285 | YH7 | 0.8912 |
286 | 4MU | 0.8910 |
287 | 24W | 0.8909 |
288 | JBK | 0.8908 |
289 | ES1 | 0.8908 |
290 | I6G | 0.8906 |
291 | F1A | 0.8905 |
292 | 9FQ | 0.8904 |
293 | FE DB1 | 0.8902 |
294 | 1GN | 0.8901 |
295 | S3B | 0.8900 |
296 | HQT | 0.8900 |
297 | 9PY | 0.8899 |
298 | HH8 | 0.8898 |
299 | DRL | 0.8897 |
300 | 3RK | 0.8896 |
301 | M6N | 0.8894 |
302 | 5CL | 0.8890 |
303 | SWA | 0.8889 |
304 | F5B | 0.8889 |
305 | M5N | 0.8887 |
306 | ZZ8 | 0.8887 |
307 | JXN | 0.8887 |
308 | K37 | 0.8886 |
309 | LOG | 0.8886 |
310 | GLF | 0.8883 |
311 | ASO | 0.8883 |
312 | 5M0 | 0.8882 |
313 | SAL | 0.8882 |
314 | WOO | 0.8881 |
315 | 5NE | 0.8881 |
316 | PBR | 0.8880 |
317 | 12Q | 0.8880 |
318 | 67N | 0.8880 |
319 | 5SG | 0.8879 |
320 | TVP | 0.8878 |
321 | 2M5 | 0.8876 |
322 | 5CU | 0.8876 |
323 | 5VJ | 0.8871 |
324 | 4XH | 0.8870 |
325 | SRO | 0.8869 |
326 | 7D2 | 0.8868 |
327 | 149 | 0.8868 |
328 | BE2 | 0.8867 |
329 | QPR | 0.8866 |
330 | HPA | 0.8866 |
331 | 3Z8 | 0.8866 |
332 | SR4 | 0.8865 |
333 | AIN | 0.8865 |
334 | HQY | 0.8865 |
335 | Q88 | 0.8863 |
336 | O2A | 0.8862 |
337 | 2FQ | 0.8860 |
338 | 7W1 | 0.8860 |
339 | 6KX | 0.8858 |
340 | M1Q | 0.8857 |
341 | DOB | 0.8855 |
342 | 4ME | 0.8854 |
343 | 0W8 | 0.8850 |
344 | 582 | 0.8850 |
345 | MUA | 0.8850 |
346 | 5Q0 | 0.8849 |
347 | BTY | 0.8848 |
348 | IFL | 0.8848 |
349 | EA1 | 0.8844 |
350 | B62 | 0.8842 |
351 | 44V | 0.8841 |
352 | KT7 | 0.8841 |
353 | DHK | 0.8841 |
354 | FA0 | 0.8840 |
355 | KJH | 0.8840 |
356 | B55 | 0.8840 |
357 | 54G | 0.8838 |
358 | 1LM | 0.8837 |
359 | 4YS | 0.8836 |
360 | LCN | 0.8835 |
361 | JPZ | 0.8833 |
362 | 8CM | 0.8833 |
363 | ALL | 0.8833 |
364 | DQU | 0.8832 |
365 | NOY | 0.8831 |
366 | CBF | 0.8831 |
367 | RAM | 0.8831 |
368 | 1SQ | 0.8830 |
369 | 5IQ | 0.8830 |
370 | 293 | 0.8828 |
371 | DNA | 0.8827 |
372 | 5NU | 0.8825 |
373 | 75K | 0.8825 |
374 | 2KA | 0.8821 |
375 | XYP | 0.8819 |
376 | GYE | 0.8816 |
377 | SOR | 0.8815 |
378 | N5J | 0.8814 |
379 | DMJ | 0.8812 |
380 | UFO | 0.8811 |
381 | 1NP | 0.8810 |
382 | 3U4 | 0.8809 |
383 | 5JQ | 0.8809 |
384 | GDE | 0.8807 |
385 | JXW | 0.8806 |
386 | KGK | 0.8804 |
387 | 5RN | 0.8801 |
388 | ARW | 0.8801 |
389 | SJ5 | 0.8800 |
390 | FUC | 0.8800 |
391 | ADE | 0.8797 |
392 | 1KP | 0.8796 |
393 | LZ2 | 0.8796 |
394 | BRV | 0.8796 |
395 | 7B4 | 0.8795 |
396 | H5B | 0.8794 |
397 | FUL | 0.8793 |
398 | SOE | 0.8792 |
399 | JBH | 0.8791 |
400 | 6ME | 0.8791 |
401 | YIO | 0.8789 |
402 | R8V | 0.8789 |
403 | HA7 | 0.8786 |
404 | F12 | 0.8786 |
405 | 2EC | 0.8785 |
406 | 9TZ | 0.8785 |
407 | GTR | 0.8783 |
408 | GI3 | 0.8783 |
409 | KDO | 0.8783 |
410 | MHK | 0.8781 |
411 | IV2 | 0.8780 |
412 | XAZ | 0.8778 |
413 | XQK | 0.8778 |
414 | ICO | 0.8778 |
415 | ZWZ | 0.8777 |
416 | DMD | 0.8776 |
417 | H6B | 0.8776 |
418 | ES6 | 0.8776 |
419 | FYU | 0.8776 |
420 | A7W | 0.8775 |
421 | 3TJ | 0.8772 |
422 | 64C | 0.8772 |
423 | 6VD | 0.8771 |
424 | 2CL | 0.8770 |
425 | LKA | 0.8767 |
426 | LXC | 0.8764 |
427 | FUF | 0.8763 |
428 | 2AK | 0.8761 |
429 | JKE | 0.8760 |
430 | FLC | 0.8760 |
431 | BK9 | 0.8759 |
432 | G1P | 0.8759 |
433 | 8IG | 0.8758 |
434 | XHP | 0.8756 |
435 | 7HP | 0.8756 |
436 | K2P | 0.8754 |
437 | G12 | 0.8752 |
438 | Q77 | 0.8750 |
439 | BP1 | 0.8748 |
440 | 60Q | 0.8746 |
441 | SFU | 0.8746 |
442 | FCA | 0.8744 |
443 | ENL | 0.8742 |
444 | ASC | 0.8736 |
445 | MZB | 0.8735 |
446 | APS | 0.8734 |
447 | LDR | 0.8733 |
448 | 3PF | 0.8732 |
449 | 7WR | 0.8731 |
450 | SKA | 0.8730 |
451 | GV9 | 0.8729 |
452 | 3ID | 0.8727 |
453 | O72 | 0.8726 |
454 | L7T | 0.8725 |
455 | 3DM | 0.8725 |
456 | 20J | 0.8724 |
457 | NGO | 0.8724 |
458 | JXZ | 0.8723 |
459 | 44W | 0.8719 |
460 | CWS | 0.8719 |
461 | 10L | 0.8719 |
462 | 5JL | 0.8718 |
463 | 5MK | 0.8716 |
464 | NAG | 0.8715 |
465 | DGJ | 0.8715 |
466 | V55 | 0.8710 |
467 | ADZ | 0.8709 |
468 | OTW | 0.8708 |
469 | PRZ | 0.8707 |
470 | 2GS | 0.8707 |
471 | 23A | 0.8706 |
472 | BHA | 0.8702 |
473 | ES0 | 0.8701 |
474 | 2D0 | 0.8701 |
475 | T6C | 0.8700 |
476 | ARP | 0.8700 |
477 | JTH | 0.8700 |
478 | 9AP | 0.8700 |
479 | 2D3 | 0.8699 |
480 | 0FN | 0.8699 |
481 | ORO | 0.8699 |
482 | 7MH | 0.8699 |
483 | KUF | 0.8698 |
484 | PH2 | 0.8696 |
485 | BDF | 0.8696 |
486 | DIN | 0.8696 |
487 | FCB | 0.8694 |
488 | TFU | 0.8693 |
489 | EMZ | 0.8693 |
490 | NDH | 0.8690 |
491 | RH1 | 0.8690 |
492 | 8MO | 0.8690 |
493 | 1WD | 0.8689 |
494 | HMU | 0.8685 |
495 | RM4 | 0.8685 |
496 | CWM | 0.8685 |
497 | BPU | 0.8680 |
498 | Q71 | 0.8679 |
499 | 7WA | 0.8677 |
500 | MVN | 0.8675 |
501 | 4M0 | 0.8673 |
502 | 4V6 | 0.8672 |
503 | 4Z4 | 0.8672 |
504 | 6MP | 0.8670 |
505 | 8GK | 0.8670 |
506 | 7M6 | 0.8669 |
507 | 7WV | 0.8669 |
508 | OXC | 0.8668 |
509 | MRW | 0.8664 |
510 | CIP | 0.8662 |
511 | 0FO | 0.8660 |
512 | 39U | 0.8658 |
513 | DNF | 0.8657 |
514 | G3E | 0.8653 |
515 | 6CS | 0.8652 |
516 | MFB | 0.8652 |
517 | PEY | 0.8650 |
518 | HKD | 0.8649 |
519 | MM2 | 0.8646 |
520 | DIE | 0.8645 |
521 | GXL | 0.8644 |
522 | NBV | 0.8644 |
523 | QBK | 0.8643 |
524 | XYS | 0.8643 |
525 | FDR | 0.8641 |
526 | VNJ | 0.8641 |
527 | 4XV | 0.8641 |
528 | 9HX | 0.8640 |
529 | 3DO | 0.8638 |
530 | SNG | 0.8638 |
531 | 9X5 | 0.8637 |
532 | 2J9 | 0.8635 |
533 | SE2 | 0.8635 |
534 | 2LY | 0.8635 |
535 | IFM | 0.8631 |
536 | B0D | 0.8631 |
537 | ES4 | 0.8630 |
538 | QM1 | 0.8627 |
539 | JFD | 0.8626 |
540 | ARB | 0.8623 |
541 | GOO | 0.8623 |
542 | RNS | 0.8622 |
543 | 5QY | 0.8619 |
544 | 6XI | 0.8615 |
545 | 1U1 | 0.8615 |
546 | LT2 | 0.8614 |
547 | 0RN | 0.8611 |
548 | MM1 | 0.8610 |
549 | SHA | 0.8608 |
550 | GCO | 0.8603 |
551 | NBG | 0.8602 |
552 | 28N | 0.8602 |
553 | E7R | 0.8600 |
554 | D48 | 0.8599 |
555 | 9DA | 0.8599 |
556 | XXP | 0.8599 |
557 | J5I | 0.8597 |
558 | MSN | 0.8596 |
559 | N7P | 0.8594 |
560 | XM5 | 0.8593 |
561 | 67X | 0.8591 |
562 | XQG | 0.8590 |
563 | F81 | 0.8589 |
564 | MM5 | 0.8589 |
565 | SF9 | 0.8589 |
566 | J9Q | 0.8587 |
567 | ISN | 0.8586 |
568 | 537 | 0.8585 |
569 | G4D | 0.8583 |
570 | JIF | 0.8580 |
571 | CIT | 0.8578 |
572 | NDG | 0.8574 |
573 | PM6 | 0.8570 |
574 | REL | 0.8570 |
575 | 95Z | 0.8567 |
576 | KYA | 0.8565 |
577 | RM1 | 0.8561 |
578 | GZL | 0.8560 |
579 | NGT | 0.8560 |
580 | D1X | 0.8559 |
581 | DOR | 0.8557 |
582 | C2Y | 0.8555 |
583 | LZM | 0.8553 |
584 | 0MK | 0.8552 |
585 | IPT | 0.8552 |
586 | AHR | 0.8551 |
587 | 4NC | 0.8551 |
588 | MM6 | 0.8546 |
589 | AA | 0.8540 |
590 | NCD | 0.8537 |
591 | NVU | 0.8535 |
592 | R6T | 0.8535 |
593 | BM3 | 0.8523 |
594 | 4XS | 0.8509 |
595 | 4PW | 0.8507 |
This union binding pocket(no: 1) in the query (biounit: 5bx3.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |