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- Structure Biounit | Ligand Information
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- 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 | 4NO | 0.9530 |
2 | TWO | 0.9485 |
3 | IL5 | 0.9419 |
4 | 2K8 | 0.9382 |
5 | 0FK | 0.9354 |
6 | DNF | 0.9346 |
7 | V1T | 0.9314 |
8 | 8HC | 0.9313 |
9 | KTW | 0.9300 |
10 | 8NX | 0.9299 |
11 | SG2 | 0.9296 |
12 | QAT | 0.9295 |
13 | UFO | 0.9287 |
14 | HHS | 0.9286 |
15 | 6R8 | 0.9262 |
16 | NAG | 0.9261 |
17 | N8Y | 0.9224 |
18 | ESI | 0.9221 |
19 | 7I2 | 0.9219 |
20 | 0W1 | 0.9215 |
21 | 20J | 0.9199 |
22 | 5TY | 0.9199 |
23 | JG8 | 0.9194 |
24 | GF4 | 0.9186 |
25 | AY4 | 0.9184 |
26 | VNL | 0.9183 |
27 | Q71 | 0.9180 |
28 | PH2 | 0.9178 |
29 | ZYR | 0.9172 |
30 | GZ8 | 0.9170 |
31 | QX4 | 0.9166 |
32 | 4KL | 0.9159 |
33 | JP2 | 0.9151 |
34 | 344 | 0.9146 |
35 | HA5 | 0.9144 |
36 | MB1 | 0.9143 |
37 | 8WO | 0.9142 |
38 | VXX | 0.9141 |
39 | 5RO | 0.9138 |
40 | YQA | 0.9127 |
41 | ST1 | 0.9127 |
42 | QAS | 0.9120 |
43 | 2FQ | 0.9114 |
44 | 0FO | 0.9113 |
45 | FDR | 0.9111 |
46 | DNC | 0.9105 |
47 | HHR | 0.9099 |
48 | F31 | 0.9078 |
49 | KYA | 0.9076 |
50 | C8O | 0.9071 |
51 | 6ME | 0.9070 |
52 | Q77 | 0.9069 |
53 | DQU | 0.9068 |
54 | 0JD | 0.9067 |
55 | I7C | 0.9067 |
56 | AX3 | 0.9066 |
57 | WUB | 0.9064 |
58 | BZJ | 0.9063 |
59 | 6QF | 0.9063 |
60 | R9Y | 0.9062 |
61 | B5D | 0.9061 |
62 | XHP | 0.9058 |
63 | 68A | 0.9058 |
64 | 9ZE | 0.9057 |
65 | 8WT | 0.9057 |
66 | 549 | 0.9057 |
67 | 8W9 | 0.9055 |
68 | EXD | 0.9051 |
69 | HBO | 0.9048 |
70 | 15N | 0.9048 |
71 | DNA | 0.9044 |
72 | F2W | 0.9034 |
73 | 5VJ | 0.9033 |
74 | GNM | 0.9033 |
75 | JR2 | 0.9032 |
76 | B62 | 0.9031 |
77 | 7WR | 0.9029 |
78 | 2JK | 0.9025 |
79 | PQK | 0.9021 |
80 | BPU | 0.9021 |
81 | VOH | 0.9021 |
82 | 8XQ | 0.9018 |
83 | E1T | 0.9016 |
84 | EJZ | 0.9015 |
85 | 3Y7 | 0.9014 |
86 | MOK | 0.9010 |
87 | K3Q | 0.9008 |
88 | 44V | 0.9007 |
89 | N2M | 0.9004 |
90 | X0W | 0.9003 |
91 | BPY | 0.9003 |
92 | K97 | 0.9002 |
93 | JF1 | 0.9001 |
94 | OTW | 0.9000 |
95 | 209 | 0.8997 |
96 | ANC | 0.8996 |
97 | MVN | 0.8991 |
98 | 4AV | 0.8991 |
99 | JF2 | 0.8988 |
100 | BZE | 0.8987 |
101 | JND | 0.8986 |
102 | KT7 | 0.8986 |
103 | H5B | 0.8982 |
104 | 44W | 0.8981 |
105 | 54X | 0.8981 |
106 | URC | 0.8980 |
107 | XM5 | 0.8977 |
108 | JTA | 0.8975 |
109 | C9E | 0.8974 |
110 | B56 | 0.8974 |
111 | 692 | 0.8974 |
112 | DK1 | 0.8972 |
113 | SXS | 0.8971 |
114 | 4ME | 0.8971 |
115 | QBK | 0.8970 |
116 | OSB | 0.8965 |
117 | ZYQ | 0.8964 |
118 | 3J8 | 0.8964 |
119 | QQQ | 0.8961 |
120 | 1Z8 | 0.8954 |
121 | 4MU | 0.8952 |
122 | SLS | 0.8948 |
123 | 2GQ | 0.8947 |
124 | BEA | 0.8944 |
125 | FF2 | 0.8943 |
126 | 537 | 0.8941 |
127 | CWS | 0.8938 |
128 | 8TX | 0.8937 |
129 | N7I | 0.8936 |
130 | KUF | 0.8935 |
131 | APZ | 0.8934 |
132 | NBG | 0.8934 |
133 | DPT | 0.8928 |
134 | CNI | 0.8924 |
135 | XQK | 0.8923 |
136 | 9AP | 0.8920 |
137 | S60 | 0.8918 |
138 | 4A5 | 0.8915 |
139 | GNV | 0.8914 |
140 | LDR | 0.8912 |
141 | 0N7 | 0.8907 |
142 | HNQ | 0.8907 |
143 | CH9 | 0.8902 |
144 | TIY | 0.8902 |
145 | L46 | 0.8900 |
146 | 9FE | 0.8900 |
147 | DNQ | 0.8900 |
148 | MWP | 0.8899 |
149 | DIN | 0.8898 |
150 | 39U | 0.8897 |
151 | GI3 | 0.8897 |
152 | B55 | 0.8891 |
153 | 2O6 | 0.8889 |
154 | BGU | 0.8889 |
155 | 2EC | 0.8884 |
156 | R6T | 0.8883 |
157 | TNG | 0.8881 |
158 | N0Z | 0.8877 |
159 | JTH | 0.8876 |
160 | V55 | 0.8874 |
161 | 0P6 | 0.8874 |
162 | APS | 0.8872 |
163 | M1Z | 0.8869 |
164 | CLZ | 0.8869 |
165 | ST4 | 0.8865 |
166 | 64C | 0.8865 |
167 | 3Z8 | 0.8861 |
168 | E35 | 0.8861 |
169 | KW8 | 0.8857 |
170 | 0XT | 0.8856 |
171 | GNY | 0.8854 |
172 | 8IG | 0.8853 |
173 | 774 | 0.8850 |
174 | 8ZE | 0.8850 |
175 | 4TU | 0.8848 |
176 | H33 | 0.8848 |
177 | 8MO | 0.8847 |
178 | 3R6 | 0.8846 |
179 | 4M4 | 0.8845 |
180 | XAZ | 0.8845 |
181 | ZHA | 0.8843 |
182 | BTY | 0.8843 |
183 | AJV | 0.8841 |
184 | DPZ | 0.8841 |
185 | AVR | 0.8841 |
186 | MRW | 0.8839 |
187 | M5N | 0.8838 |
188 | H4B | 0.8836 |
189 | ESP | 0.8836 |
190 | MUA | 0.8834 |
191 | 27B | 0.8834 |
192 | HQD | 0.8833 |
193 | BZ2 | 0.8833 |
194 | PRF | 0.8833 |
195 | 8CM | 0.8833 |
196 | 3TJ | 0.8830 |
197 | CHB | 0.8828 |
198 | ESX | 0.8826 |
199 | A29 | 0.8825 |
200 | 75K | 0.8825 |
201 | ZME | 0.8822 |
202 | 7ME | 0.8821 |
203 | 1HN | 0.8820 |
204 | MXD | 0.8817 |
205 | NPA | 0.8816 |
206 | HBI | 0.8815 |
207 | SKF | 0.8812 |
208 | 2HC | 0.8810 |
209 | 4BY | 0.8809 |
210 | 39O | 0.8809 |
211 | 3QV | 0.8807 |
212 | 4RU | 0.8805 |
213 | 1F1 | 0.8804 |
214 | 1X8 | 0.8803 |
215 | MNS | 0.8803 |
216 | 1KP | 0.8802 |
217 | GJP | 0.8801 |
218 | A7W | 0.8800 |
219 | THA | 0.8799 |
220 | ARP | 0.8796 |
221 | N2I | 0.8793 |
222 | BIO | 0.8792 |
223 | K25 | 0.8792 |
224 | 0HO | 0.8789 |
225 | PEY | 0.8789 |
226 | GO2 | 0.8788 |
227 | R20 | 0.8787 |
228 | AZ9 | 0.8786 |
229 | TT4 | 0.8781 |
230 | GDE | 0.8781 |
231 | XFE | 0.8781 |
232 | 0HN | 0.8779 |
233 | G12 | 0.8779 |
234 | AA | 0.8773 |
235 | 4A3 | 0.8773 |
236 | B21 | 0.8773 |
237 | 428 | 0.8773 |
238 | BHQ | 0.8771 |
239 | CB1 | 0.8771 |
240 | 61M | 0.8770 |
241 | ROI | 0.8770 |
242 | 2J2 | 0.8768 |
243 | 2D3 | 0.8767 |
244 | E7S | 0.8767 |
245 | 2HO | 0.8767 |
246 | 9R5 | 0.8761 |
247 | X11 | 0.8761 |
248 | PLP | 0.8759 |
249 | INO | 0.8758 |
250 | IAC | 0.8758 |
251 | 1A7 | 0.8757 |
252 | EGR | 0.8756 |
253 | H05 | 0.8756 |
254 | L5V | 0.8755 |
255 | JU2 | 0.8753 |
256 | AEH | 0.8752 |
257 | ZSP | 0.8752 |
258 | AN3 | 0.8752 |
259 | LI6 | 0.8752 |
260 | 8NB | 0.8751 |
261 | 4BL | 0.8750 |
262 | N3W | 0.8748 |
263 | AJY | 0.8747 |
264 | 1IT | 0.8746 |
265 | GSY | 0.8746 |
266 | EN1 | 0.8745 |
267 | 4V6 | 0.8744 |
268 | 6ZW | 0.8744 |
269 | 78Y | 0.8742 |
270 | 93K | 0.8741 |
271 | 1VK | 0.8741 |
272 | 5JQ | 0.8740 |
273 | P7Y | 0.8740 |
274 | HKD | 0.8739 |
275 | M6P | 0.8738 |
276 | CKU | 0.8738 |
277 | NNO | 0.8737 |
278 | HQJ | 0.8735 |
279 | 5NE | 0.8735 |
280 | 3HM | 0.8735 |
281 | 5JL | 0.8735 |
282 | FHB | 0.8732 |
283 | F0J | 0.8731 |
284 | EV0 | 0.8731 |
285 | 92P | 0.8731 |
286 | X0U | 0.8730 |
287 | CR1 | 0.8730 |
288 | RKV | 0.8728 |
289 | MUR | 0.8728 |
290 | 3ZB | 0.8727 |
291 | 9CA | 0.8726 |
292 | P9P | 0.8726 |
293 | UNJ | 0.8725 |
294 | PQ0 | 0.8722 |
295 | KY3 | 0.8721 |
296 | IBM | 0.8720 |
297 | I7A | 0.8717 |
298 | GZ2 | 0.8717 |
299 | 4NC | 0.8716 |
300 | JAW | 0.8716 |
301 | MYJ | 0.8715 |
302 | 6NT | 0.8714 |
303 | FHC | 0.8714 |
304 | IHB | 0.8713 |
305 | 30G | 0.8713 |
306 | 293 | 0.8712 |
307 | ANF | 0.8711 |
308 | IPT | 0.8711 |
309 | GO8 | 0.8710 |
310 | FLV | 0.8710 |
311 | AJ2 | 0.8709 |
312 | 55D | 0.8707 |
313 | 6RQ | 0.8707 |
314 | 4JQ | 0.8705 |
315 | 5WT | 0.8705 |
316 | DX1 | 0.8705 |
317 | I7B | 0.8702 |
318 | QSB | 0.8701 |
319 | 8WZ | 0.8701 |
320 | FOT | 0.8700 |
321 | GDL | 0.8699 |
322 | M3E | 0.8698 |
323 | BIK | 0.8696 |
324 | 64E | 0.8696 |
325 | 9FL | 0.8695 |
326 | 97T | 0.8694 |
327 | NDM | 0.8694 |
328 | KDV | 0.8694 |
329 | 3R4 | 0.8694 |
330 | BA5 | 0.8693 |
331 | E1K | 0.8693 |
332 | INE | 0.8690 |
333 | 2AK | 0.8686 |
334 | 3A9 | 0.8683 |
335 | RH1 | 0.8682 |
336 | ONR | 0.8681 |
337 | 2A9 | 0.8680 |
338 | BBK | 0.8680 |
339 | 878 | 0.8677 |
340 | JYB | 0.8677 |
341 | AQO | 0.8676 |
342 | CKA | 0.8676 |
343 | EUG | 0.8676 |
344 | 2HQ | 0.8674 |
345 | 2KA | 0.8672 |
346 | H7Y | 0.8671 |
347 | 2ZM | 0.8669 |
348 | I6G | 0.8669 |
349 | X0V | 0.8668 |
350 | M78 | 0.8668 |
351 | Z5P | 0.8666 |
352 | DRG | 0.8665 |
353 | N91 | 0.8664 |
354 | 9TW | 0.8663 |
355 | F12 | 0.8662 |
356 | 4HM | 0.8657 |
357 | L22 | 0.8656 |
358 | KLK | 0.8651 |
359 | SYA | 0.8651 |
360 | PXL | 0.8649 |
361 | YTX | 0.8645 |
362 | PRZ | 0.8644 |
363 | QSH | 0.8642 |
364 | 363 | 0.8642 |
365 | M1Q | 0.8640 |
366 | 67X | 0.8634 |
367 | JLZ | 0.8632 |
368 | KMY | 0.8630 |
369 | D07 | 0.8629 |
370 | SX1 | 0.8628 |
371 | KIB | 0.8627 |
372 | EMZ | 0.8624 |
373 | 2CZ | 0.8623 |
374 | 1QP | 0.8623 |
375 | 4M0 | 0.8622 |
376 | GNJ | 0.8620 |
377 | 2D0 | 0.8620 |
378 | 5OF | 0.8616 |
379 | JDN | 0.8613 |
380 | IOS | 0.8613 |
381 | LZ2 | 0.8608 |
382 | 226 | 0.8607 |
383 | HPT | 0.8606 |
384 | 4I5 | 0.8604 |
385 | NID | 0.8604 |
386 | EVF | 0.8603 |
387 | TR4 | 0.8599 |
388 | CWM | 0.8596 |
389 | TGX | 0.8596 |
390 | BGP | 0.8596 |
391 | 2WU | 0.8595 |
392 | MCO | 0.8594 |
393 | 463 | 0.8592 |
394 | ST3 | 0.8591 |
395 | E7Z | 0.8591 |
396 | XDE | 0.8589 |
397 | TQU | 0.8587 |
398 | SYV | 0.8582 |
399 | CIY | 0.8581 |
400 | YO5 | 0.8578 |
401 | GI1 | 0.8578 |
402 | NGA | 0.8577 |
403 | K44 | 0.8576 |
404 | JGB | 0.8571 |
405 | 5GT | 0.8569 |
406 | J9T | 0.8569 |
407 | 9KZ | 0.8564 |
408 | ST2 | 0.8561 |
409 | ES0 | 0.8560 |
410 | KF5 | 0.8558 |
411 | 6FZ | 0.8557 |
412 | GO1 | 0.8552 |
413 | S7J | 0.8551 |
414 | S98 | 0.8550 |
415 | AC2 | 0.8547 |
416 | 2UZ | 0.8546 |
417 | KWH | 0.8542 |
418 | 1U1 | 0.8538 |
419 | 4FH | 0.8538 |
420 | MS9 | 0.8534 |
421 | 6HP | 0.8531 |
422 | 5PX | 0.8531 |
423 | 36E | 0.8525 |
424 | LNR | 0.8516 |
425 | 4XV | 0.8515 |
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 |