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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 12 families. | |||||
1 | 6DJH | - | GNM | C10 H6 Br N O3 | c1cc2c(c(c.... |
2 | 6DJE | - | GNY | C13 H13 N O3 | CC(C)c1ccc.... |
3 | 6MJ5 | - | JTA | C10 H6 N2 O5 | c1cc2c(c(c.... |
4 | 6N17 | ic50 = 1.01 mM | K8Y | C12 H11 N O7 | c1cc(c(cc1.... |
5 | 6DIM | - | GJP | C10 H7 N O3 | c1ccc2c(c1.... |
6 | 6DJF | - | GNV | C11 H7 N O5 | c1cc2c(c(c.... |
7 | 6N19 | ic50 = 0.96 mM | K8V | C13 H13 N O7 | c1cc(c(cc1.... |
8 | 6DIE | ic50 = 0.74 mM | GHM | C9 H6 O6 | c1cc(c(cc1.... |
9 | 6DJI | ic50 = 3.1 mM | GOG | C8 H6 O5 | c1cc(c(c(c.... |
10 | 6DHU | - | GHM | C9 H6 O6 | c1cc(c(cc1.... |
11 | 6DJG | - | GNJ | C10 H7 N O6 S | c1cc2c(c(c.... |
12 | 6DJD | ic50 = 7.2 mM | GJP | C10 H7 N O3 | c1ccc2c(c1.... |
13 | 6DJJ | ic50 = 80 uM | GM7 | C8 H7 N O4 | c1cc(c(cc1.... |
14 | 6DIH | ic50 = 1.9 mM | GJS | C8 H6 O5 | c1cc(c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 10 families. | |||||
1 | 6DJH | - | GNM | C10 H6 Br N O3 | c1cc2c(c(c.... |
2 | 6DJE | - | GNY | C13 H13 N O3 | CC(C)c1ccc.... |
3 | 6MJ5 | - | JTA | C10 H6 N2 O5 | c1cc2c(c(c.... |
4 | 6N17 | ic50 = 1.01 mM | K8Y | C12 H11 N O7 | c1cc(c(cc1.... |
5 | 6DIM | - | GJP | C10 H7 N O3 | c1ccc2c(c1.... |
6 | 6DJF | - | GNV | C11 H7 N O5 | c1cc2c(c(c.... |
7 | 6N19 | ic50 = 0.96 mM | K8V | C13 H13 N O7 | c1cc(c(cc1.... |
8 | 6DIE | ic50 = 0.74 mM | GHM | C9 H6 O6 | c1cc(c(cc1.... |
9 | 6DJI | ic50 = 3.1 mM | GOG | C8 H6 O5 | c1cc(c(c(c.... |
10 | 6DHU | - | GHM | C9 H6 O6 | c1cc(c(cc1.... |
11 | 6DJG | - | GNJ | C10 H7 N O6 S | c1cc2c(c(c.... |
12 | 6DJD | ic50 = 7.2 mM | GJP | C10 H7 N O3 | c1ccc2c(c1.... |
13 | 6DJJ | ic50 = 80 uM | GM7 | C8 H7 N O4 | c1cc(c(cc1.... |
14 | 6DIH | ic50 = 1.9 mM | GJS | C8 H6 O5 | c1cc(c(cc1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GNM | 0.9547 |
2 | JP2 | 0.9484 |
3 | 30G | 0.9437 |
4 | WUB | 0.9433 |
5 | 344 | 0.9415 |
6 | 2JK | 0.9377 |
7 | NRA | 0.9350 |
8 | 5F8 | 0.9334 |
9 | 9TF | 0.9333 |
10 | CNI | 0.9314 |
11 | JRO | 0.9299 |
12 | S60 | 0.9295 |
13 | KW8 | 0.9291 |
14 | DRG | 0.9290 |
15 | DK1 | 0.9278 |
16 | BGU | 0.9271 |
17 | 1X8 | 0.9269 |
18 | DPT | 0.9268 |
19 | 5TZ | 0.9266 |
20 | 537 | 0.9265 |
21 | 6QF | 0.9263 |
22 | ANC | 0.9261 |
23 | 7I2 | 0.9256 |
24 | TCR | 0.9247 |
25 | YE7 | 0.9244 |
26 | CKA | 0.9244 |
27 | MS0 | 0.9243 |
28 | 3J8 | 0.9239 |
29 | XM5 | 0.9239 |
30 | LL1 | 0.9237 |
31 | NAG | 0.9233 |
32 | F40 | 0.9233 |
33 | IQ5 | 0.9231 |
34 | AVA | 0.9228 |
35 | ZSP | 0.9227 |
36 | II4 | 0.9226 |
37 | DNQ | 0.9222 |
38 | OCZ | 0.9222 |
39 | 549 | 0.9222 |
40 | KWH | 0.9217 |
41 | H4B | 0.9217 |
42 | BA5 | 0.9216 |
43 | ALR | 0.9214 |
44 | BIK | 0.9214 |
45 | 774 | 0.9212 |
46 | F2W | 0.9211 |
47 | LP8 | 0.9207 |
48 | THA | 0.9207 |
49 | 2GQ | 0.9207 |
50 | TIY | 0.9206 |
51 | MNX | 0.9204 |
52 | 3Y7 | 0.9201 |
53 | 9AP | 0.9196 |
54 | LDR | 0.9193 |
55 | AA | 0.9189 |
56 | ANF | 0.9184 |
57 | IQZ | 0.9184 |
58 | 0XT | 0.9179 |
59 | BPU | 0.9179 |
60 | 54X | 0.9178 |
61 | 5TY | 0.9178 |
62 | 8G6 | 0.9176 |
63 | 27M | 0.9175 |
64 | P9I | 0.9173 |
65 | 5FL | 0.9173 |
66 | AMR | 0.9169 |
67 | DXK | 0.9167 |
68 | EMO | 0.9161 |
69 | JG8 | 0.9158 |
70 | 68A | 0.9157 |
71 | 8NX | 0.9156 |
72 | EWG | 0.9153 |
73 | HBO | 0.9152 |
74 | 2J2 | 0.9152 |
75 | 5V7 | 0.9152 |
76 | 982 | 0.9145 |
77 | B21 | 0.9144 |
78 | VM1 | 0.9137 |
79 | E1K | 0.9134 |
80 | V1T | 0.9133 |
81 | PRL | 0.9130 |
82 | HRM | 0.9129 |
83 | 5WT | 0.9129 |
84 | YO5 | 0.9126 |
85 | TXQ | 0.9126 |
86 | LUM | 0.9117 |
87 | 6TJ | 0.9115 |
88 | 0LO | 0.9113 |
89 | FCD | 0.9110 |
90 | ZME | 0.9109 |
91 | 9CE | 0.9103 |
92 | 49P | 0.9094 |
93 | BPY | 0.9094 |
94 | 7L4 | 0.9093 |
95 | CZ0 | 0.9088 |
96 | LF5 | 0.9088 |
97 | 78Y | 0.9084 |
98 | TXW | 0.9084 |
99 | FQX | 0.9082 |
100 | 6FB | 0.9080 |
101 | RVE | 0.9070 |
102 | H5B | 0.9069 |
103 | C8O | 0.9067 |
104 | 9UL | 0.9065 |
105 | 2K8 | 0.9064 |
106 | BZJ | 0.9063 |
107 | 5F5 | 0.9062 |
108 | 67X | 0.9058 |
109 | 1YL | 0.9052 |
110 | HNA | 0.9050 |
111 | KCH | 0.9048 |
112 | 1V3 | 0.9046 |
113 | DX1 | 0.9046 |
114 | ITE | 0.9038 |
115 | 6ZW | 0.9033 |
116 | 64E | 0.9033 |
117 | 1FL | 0.9029 |
118 | CHQ | 0.9028 |
119 | 3QV | 0.9021 |
120 | 582 | 0.9021 |
121 | DX3 | 0.9020 |
122 | 19E | 0.9019 |
123 | 4FF | 0.9017 |
124 | LEL | 0.9015 |
125 | 64C | 0.9013 |
126 | 4I5 | 0.9011 |
127 | 6X9 | 0.9009 |
128 | 5OF | 0.9009 |
129 | 4MU | 0.9008 |
130 | X11 | 0.9007 |
131 | 1KP | 0.9006 |
132 | K68 | 0.9004 |
133 | R9Y | 0.9003 |
134 | EV2 | 0.9002 |
135 | 5VJ | 0.9001 |
136 | M5H | 0.9000 |
137 | AJY | 0.8999 |
138 | K44 | 0.8996 |
139 | U7E | 0.8995 |
140 | L3L | 0.8994 |
141 | P4L | 0.8993 |
142 | 7FF | 0.8992 |
143 | BQ5 | 0.8992 |
144 | NDG | 0.8990 |
145 | AH3 | 0.8988 |
146 | N0Z | 0.8986 |
147 | L07 | 0.8985 |
148 | PEY | 0.8979 |
149 | BZE | 0.8979 |
150 | HHS | 0.8977 |
151 | X0W | 0.8976 |
152 | CX6 | 0.8975 |
153 | 3C5 | 0.8972 |
154 | DX7 | 0.8972 |
155 | 5NN | 0.8969 |
156 | AY4 | 0.8969 |
157 | ROI | 0.8966 |
158 | 2WU | 0.8961 |
159 | AN3 | 0.8961 |
160 | SG2 | 0.8960 |
161 | 39Z | 0.8959 |
162 | V2Z | 0.8955 |
163 | SSY | 0.8954 |
164 | 5E5 | 0.8954 |
165 | FDR | 0.8953 |
166 | RKV | 0.8953 |
167 | HA6 | 0.8952 |
168 | 4AU | 0.8952 |
169 | AH9 | 0.8945 |
170 | JR2 | 0.8945 |
171 | XFE | 0.8945 |
172 | RGK | 0.8945 |
173 | YZ9 | 0.8943 |
174 | 3R4 | 0.8942 |
175 | 1EL | 0.8942 |
176 | LFQ | 0.8940 |
177 | 7MX | 0.8940 |
178 | 1HN | 0.8938 |
179 | ZHA | 0.8935 |
180 | K25 | 0.8934 |
181 | 1QP | 0.8929 |
182 | 1QV | 0.8929 |
183 | GDL | 0.8927 |
184 | ZYR | 0.8927 |
185 | NKI | 0.8927 |
186 | OAI | 0.8926 |
187 | FLV | 0.8923 |
188 | WS7 | 0.8923 |
189 | 226 | 0.8920 |
190 | J1K | 0.8919 |
191 | G12 | 0.8919 |
192 | 1AJ | 0.8919 |
193 | 9KZ | 0.8918 |
194 | CLZ | 0.8916 |
195 | BIO | 0.8915 |
196 | QR2 | 0.8915 |
197 | N2M | 0.8915 |
198 | IL5 | 0.8914 |
199 | GHM | 0.8914 |
200 | VKE | 0.8912 |
201 | A73 | 0.8911 |
202 | 7B3 | 0.8909 |
203 | S98 | 0.8908 |
204 | WLH | 0.8908 |
205 | JF8 | 0.8907 |
206 | IDZ | 0.8905 |
207 | 5P3 | 0.8905 |
208 | MUR | 0.8904 |
209 | LOG | 0.8904 |
210 | JBZ | 0.8900 |
211 | 0FR | 0.8898 |
212 | LFN | 0.8898 |
213 | SRO | 0.8897 |
214 | PH2 | 0.8896 |
215 | CSN | 0.8896 |
216 | GF4 | 0.8896 |
217 | 1DR | 0.8892 |
218 | 1V1 | 0.8889 |
219 | 8MO | 0.8889 |
220 | 2D2 | 0.8886 |
221 | 2FQ | 0.8886 |
222 | 4KL | 0.8884 |
223 | 4TU | 0.8883 |
224 | C9E | 0.8882 |
225 | YE6 | 0.8882 |
226 | AO6 | 0.8881 |
227 | CUE | 0.8881 |
228 | KWB | 0.8880 |
229 | UN9 | 0.8877 |
230 | HRD | 0.8875 |
231 | 5GT | 0.8874 |
232 | 692 | 0.8873 |
233 | 28N | 0.8873 |
234 | MNY | 0.8873 |
235 | NOM | 0.8871 |
236 | HBI | 0.8871 |
237 | A5H | 0.8871 |
238 | X0U | 0.8871 |
239 | 6E8 | 0.8871 |
240 | E7S | 0.8871 |
241 | EVO | 0.8869 |
242 | EV3 | 0.8867 |
243 | 4BL | 0.8866 |
244 | 18E | 0.8866 |
245 | 2J1 | 0.8862 |
246 | CK2 | 0.8861 |
247 | 0J4 | 0.8860 |
248 | NBG | 0.8856 |
249 | DNA | 0.8856 |
250 | M3E | 0.8852 |
251 | P83 | 0.8849 |
252 | 78P | 0.8849 |
253 | PIQ | 0.8849 |
254 | 20D | 0.8848 |
255 | 4BY | 0.8846 |
256 | DBF | 0.8845 |
257 | 1A7 | 0.8844 |
258 | 3D8 | 0.8842 |
259 | L22 | 0.8841 |
260 | 272 | 0.8840 |
261 | 3VX | 0.8839 |
262 | F95 | 0.8839 |
263 | TRP | 0.8839 |
264 | 4RV | 0.8838 |
265 | E1T | 0.8838 |
266 | HA5 | 0.8838 |
267 | QMS | 0.8836 |
268 | 4G2 | 0.8834 |
269 | UFO | 0.8832 |
270 | KMY | 0.8832 |
271 | W8L | 0.8831 |
272 | 363 | 0.8829 |
273 | 1ZC | 0.8828 |
274 | KLV | 0.8828 |
275 | 0FK | 0.8828 |
276 | DFL | 0.8827 |
277 | 4RU | 0.8826 |
278 | JWS | 0.8825 |
279 | ESI | 0.8821 |
280 | 0W1 | 0.8818 |
281 | 0SX | 0.8816 |
282 | JY4 | 0.8816 |
283 | GI3 | 0.8814 |
284 | 8W9 | 0.8812 |
285 | F5C | 0.8812 |
286 | RHN | 0.8811 |
287 | M3F | 0.8809 |
288 | JCZ | 0.8809 |
289 | KTW | 0.8808 |
290 | 0J2 | 0.8806 |
291 | K97 | 0.8805 |
292 | 8SK | 0.8805 |
293 | CCV | 0.8805 |
294 | JYB | 0.8804 |
295 | 25F | 0.8804 |
296 | 3GX | 0.8804 |
297 | 1V4 | 0.8802 |
298 | 4V2 | 0.8801 |
299 | DNC | 0.8800 |
300 | 2QU | 0.8798 |
301 | I6G | 0.8796 |
302 | FUJ | 0.8795 |
303 | 12T | 0.8795 |
304 | 9LI | 0.8793 |
305 | CDJ | 0.8793 |
306 | DNF | 0.8789 |
307 | BBY | 0.8789 |
308 | KYA | 0.8787 |
309 | C09 | 0.8787 |
310 | 6BL | 0.8787 |
311 | 0JD | 0.8786 |
312 | EN1 | 0.8785 |
313 | 28S | 0.8783 |
314 | 55D | 0.8783 |
315 | 3ZB | 0.8782 |
316 | AH6 | 0.8781 |
317 | 15N | 0.8781 |
318 | KYN | 0.8780 |
319 | 6KT | 0.8779 |
320 | 2LW | 0.8779 |
321 | N91 | 0.8779 |
322 | 15E | 0.8779 |
323 | ET0 | 0.8778 |
324 | TWO | 0.8776 |
325 | WS6 | 0.8775 |
326 | MD6 | 0.8773 |
327 | 4I8 | 0.8771 |
328 | D2G | 0.8771 |
329 | AJ1 | 0.8770 |
330 | T28 | 0.8769 |
331 | 9R5 | 0.8769 |
332 | 0UL | 0.8768 |
333 | UXH | 0.8766 |
334 | H70 | 0.8766 |
335 | H2W | 0.8765 |
336 | 8HC | 0.8765 |
337 | VUP | 0.8765 |
338 | H05 | 0.8763 |
339 | G6P | 0.8762 |
340 | AXX | 0.8760 |
341 | Q8G | 0.8760 |
342 | 4NO | 0.8759 |
343 | QIV | 0.8758 |
344 | NLA | 0.8756 |
345 | B56 | 0.8756 |
346 | 27B | 0.8756 |
347 | GI1 | 0.8754 |
348 | X8D | 0.8754 |
349 | EYA | 0.8753 |
350 | M6Z | 0.8752 |
351 | TIA | 0.8751 |
352 | CLI | 0.8750 |
353 | 0N7 | 0.8750 |
354 | 0F9 | 0.8749 |
355 | Y3L | 0.8748 |
356 | HQD | 0.8748 |
357 | I7B | 0.8748 |
358 | 39O | 0.8745 |
359 | 5XL | 0.8744 |
360 | XEZ | 0.8744 |
361 | K7H | 0.8744 |
362 | TT4 | 0.8743 |
363 | 9FE | 0.8743 |
364 | MXD | 0.8741 |
365 | JU2 | 0.8740 |
366 | 5GV | 0.8740 |
367 | X0T | 0.8738 |
368 | JGB | 0.8737 |
369 | 22L | 0.8737 |
370 | 209 | 0.8735 |
371 | 1X7 | 0.8735 |
372 | ZYQ | 0.8735 |
373 | D87 | 0.8734 |
374 | 64F | 0.8733 |
375 | 761 | 0.8730 |
376 | YEX | 0.8730 |
377 | 428 | 0.8730 |
378 | 9CA | 0.8729 |
379 | CB1 | 0.8729 |
380 | AJG | 0.8728 |
381 | FER | 0.8728 |
382 | 5RO | 0.8725 |
383 | PLP | 0.8725 |
384 | NYJ | 0.8723 |
385 | 6VD | 0.8723 |
386 | ZRK | 0.8721 |
387 | 4GU | 0.8721 |
388 | EY2 | 0.8721 |
389 | 2D3 | 0.8720 |
390 | 0SY | 0.8717 |
391 | DX2 | 0.8717 |
392 | HC8 | 0.8717 |
393 | 8NB | 0.8714 |
394 | HH6 | 0.8714 |
395 | 2KA | 0.8712 |
396 | 1IT | 0.8712 |
397 | VXX | 0.8711 |
398 | 9OF | 0.8710 |
399 | J38 | 0.8710 |
400 | 1FE | 0.8709 |
401 | DQU | 0.8709 |
402 | QX4 | 0.8708 |
403 | M3W | 0.8708 |
404 | Q8D | 0.8707 |
405 | S62 | 0.8706 |
406 | OPA | 0.8705 |
407 | LOT | 0.8703 |
408 | TOF | 0.8700 |
409 | 4HG | 0.8699 |
410 | D3G | 0.8697 |
411 | 0OK | 0.8696 |
412 | 3VQ | 0.8696 |
413 | A6W | 0.8696 |
414 | XI7 | 0.8695 |
415 | R6T | 0.8695 |
416 | 5NE | 0.8695 |
417 | 57D | 0.8694 |
418 | C2Y | 0.8693 |
419 | 795 | 0.8692 |
420 | 0FO | 0.8692 |
421 | Z21 | 0.8691 |
422 | 9ZE | 0.8690 |
423 | 6MW | 0.8689 |
424 | 878 | 0.8688 |
425 | G1P | 0.8688 |
426 | B23 | 0.8688 |
427 | B4O | 0.8687 |
428 | X48 | 0.8687 |
429 | XHP | 0.8686 |
430 | 44V | 0.8685 |
431 | 9FL | 0.8685 |
432 | DT7 | 0.8685 |
433 | PUE | 0.8684 |
434 | Q5M | 0.8684 |
435 | FF2 | 0.8683 |
436 | KJU | 0.8682 |
437 | U19 | 0.8682 |
438 | 5NS | 0.8680 |
439 | 8HH | 0.8679 |
440 | OTA | 0.8679 |
441 | D80 | 0.8679 |
442 | GO2 | 0.8676 |
443 | IBM | 0.8674 |
444 | ZZA | 0.8673 |
445 | L1T | 0.8672 |
446 | K3Q | 0.8671 |
447 | AZN | 0.8670 |
448 | 3WL | 0.8668 |
449 | H33 | 0.8667 |
450 | 92P | 0.8666 |
451 | K37 | 0.8661 |
452 | XG1 | 0.8660 |
453 | EXD | 0.8660 |
454 | NIF | 0.8660 |
455 | UNJ | 0.8659 |
456 | ARP | 0.8657 |
457 | FSU | 0.8656 |
458 | 2UD | 0.8655 |
459 | BRY | 0.8655 |
460 | 2O6 | 0.8655 |
461 | K48 | 0.8653 |
462 | GNR | 0.8653 |
463 | YTX | 0.8651 |
464 | 6PB | 0.8650 |
465 | PJW | 0.8649 |
466 | MN QAY | 0.8649 |
467 | PQ0 | 0.8648 |
468 | N8Y | 0.8647 |
469 | 39U | 0.8647 |
470 | 34L | 0.8642 |
471 | MXX | 0.8641 |
472 | 5SB | 0.8641 |
473 | 4AN | 0.8639 |
474 | 3SU | 0.8637 |
475 | BOQ | 0.8637 |
476 | AJV | 0.8636 |
477 | 2LY | 0.8636 |
478 | MS9 | 0.8636 |
479 | COL | 0.8635 |
480 | IOP | 0.8635 |
481 | LI6 | 0.8635 |
482 | ONR | 0.8633 |
483 | HHR | 0.8633 |
484 | 4F8 | 0.8632 |
485 | DUR | 0.8632 |
486 | SZ5 | 0.8630 |
487 | SKF | 0.8628 |
488 | E7R | 0.8627 |
489 | R20 | 0.8627 |
490 | WSD | 0.8626 |
491 | 3F4 | 0.8624 |
492 | LJW | 0.8622 |
493 | THM | 0.8621 |
494 | LZ2 | 0.8620 |
495 | ENO | 0.8620 |
496 | IPD | 0.8619 |
497 | XDE | 0.8617 |
498 | 3QI | 0.8614 |
499 | XCG | 0.8614 |
500 | IXM | 0.8613 |
501 | OSB | 0.8611 |
502 | 4VY | 0.8607 |
503 | AQN | 0.8607 |
504 | N7I | 0.8605 |
505 | MVN | 0.8603 |
506 | SU9 | 0.8603 |
507 | ODK | 0.8602 |
508 | ZEA | 0.8601 |
509 | OTW | 0.8601 |
510 | 2PW | 0.8598 |
511 | VT3 | 0.8598 |
512 | S0E | 0.8593 |
513 | MRW | 0.8590 |
514 | E9L | 0.8589 |
515 | CUH | 0.8588 |
516 | 9F8 | 0.8586 |
517 | DCZ | 0.8586 |
518 | 1XS | 0.8586 |
519 | LDC | 0.8585 |
520 | LIG | 0.8585 |
521 | DBQ | 0.8584 |
522 | P9E | 0.8583 |
523 | MT8 | 0.8582 |
524 | RH1 | 0.8582 |
525 | DIN | 0.8580 |
526 | MNS | 0.8578 |
527 | IK1 | 0.8578 |
528 | HNT | 0.8577 |
529 | NWD | 0.8576 |
530 | NPL | 0.8575 |
531 | PQK | 0.8573 |
532 | 6J9 | 0.8572 |
533 | B98 | 0.8572 |
534 | I7C | 0.8567 |
535 | TR4 | 0.8567 |
536 | 5GU | 0.8563 |
537 | A7W | 0.8561 |
538 | 8DA | 0.8553 |
539 | NGA | 0.8552 |
540 | O82 | 0.8551 |
541 | 5WS | 0.8551 |
542 | ADN | 0.8549 |
543 | 091 | 0.8547 |
544 | QQQ | 0.8546 |
545 | DT9 | 0.8545 |
546 | GJK | 0.8539 |
547 | 75K | 0.8537 |
548 | SYA | 0.8521 |
549 | 6RQ | 0.8521 |
550 | KU1 | 0.8517 |
This union binding pocket(no: 1) in the query (biounit: 6djj.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6djj.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |