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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 1 families. | |||||
1 | 1GM7 | - | PNN | C16 H18 N2 O4 S | CC1([C@@H].... |
2 | 1K7D | Ki = 0.47 mM | GRO | C9 H10 O2 | C[C@H](c1c.... |
3 | 1AJQ | Ki = 0.049 mM | SPA | C6 H6 O2 S | c1cc(sc1)C.... |
4 | 1KEC | Ki = 0.2 mM | GRO | C9 H10 O2 | C[C@H](c1c.... |
5 | 1GM9 | - | SOX | C16 H20 N2 O5 S | CC1([C@@H].... |
6 | 1AI5 | Ki = 0.189 mM | MNP | C8 H7 N O4 | c1cc(cc(c1.... |
7 | 1AJN | Ki = 2.32 mM | AAN | C8 H7 N O4 | c1cc(ccc1C.... |
8 | 1PNL | - | PAC | C8 H8 O2 | c1ccc(cc1).... |
9 | 1K5Q | Ki = 1.1 mM | PAC | C8 H8 O2 | c1ccc(cc1).... |
10 | 1FXH | - | PAC | C8 H8 O2 | c1ccc(cc1).... |
11 | 1AI4 | Ki = 3.13 mM | DHY | C8 H8 O4 | c1cc(c(cc1.... |
12 | 1FXV | - | PNN | C16 H18 N2 O4 S | CC1([C@@H].... |
13 | 1AJP | Ki = 5.85 mM | OMD | C8 H8 O4 | c1cc(c(cc1.... |
14 | 1K5S | Ki = 0.124 mM | GRO | C9 H10 O2 | C[C@H](c1c.... |
15 | 1GM8 | - | SOX | C16 H20 N2 O5 S | CC1([C@@H].... |
16 | 1AI7 | Ki = 0.082 mM | IPH | C6 H6 O | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1GM7 | - | PNN | C16 H18 N2 O4 S | CC1([C@@H].... |
2 | 1K7D | Ki = 0.47 mM | GRO | C9 H10 O2 | C[C@H](c1c.... |
3 | 1AJQ | Ki = 0.049 mM | SPA | C6 H6 O2 S | c1cc(sc1)C.... |
4 | 1KEC | Ki = 0.2 mM | GRO | C9 H10 O2 | C[C@H](c1c.... |
5 | 1GM9 | - | SOX | C16 H20 N2 O5 S | CC1([C@@H].... |
6 | 1AI5 | Ki = 0.189 mM | MNP | C8 H7 N O4 | c1cc(cc(c1.... |
7 | 1AJN | Ki = 2.32 mM | AAN | C8 H7 N O4 | c1cc(ccc1C.... |
8 | 1PNL | - | PAC | C8 H8 O2 | c1ccc(cc1).... |
9 | 1K5Q | Ki = 1.1 mM | PAC | C8 H8 O2 | c1ccc(cc1).... |
10 | 1FXH | - | PAC | C8 H8 O2 | c1ccc(cc1).... |
11 | 1AI4 | Ki = 3.13 mM | DHY | C8 H8 O4 | c1cc(c(cc1.... |
12 | 1FXV | - | PNN | C16 H18 N2 O4 S | CC1([C@@H].... |
13 | 1AJP | Ki = 5.85 mM | OMD | C8 H8 O4 | c1cc(c(cc1.... |
14 | 1K5S | Ki = 0.124 mM | GRO | C9 H10 O2 | C[C@H](c1c.... |
15 | 1GM8 | - | SOX | C16 H20 N2 O5 S | CC1([C@@H].... |
16 | 1AI7 | Ki = 0.082 mM | IPH | C6 H6 O | c1ccc(cc1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | XEN | 0.9713 |
2 | TSR | 0.9610 |
3 | IAC | 0.9610 |
4 | DHY | 0.9595 |
5 | RD4 | 0.9506 |
6 | OW7 | 0.9502 |
7 | SSC | 0.9486 |
8 | HLP | 0.9446 |
9 | SRO | 0.9440 |
10 | IOS | 0.9440 |
11 | 61M | 0.9409 |
12 | MQB | 0.9402 |
13 | CSN | 0.9391 |
14 | SBK | 0.9384 |
15 | M5H | 0.9369 |
16 | PDC | 0.9367 |
17 | OMD | 0.9365 |
18 | 3HP | 0.9354 |
19 | TSS | 0.9338 |
20 | PD2 | 0.9323 |
21 | M3Q | 0.9321 |
22 | 7ZC | 0.9320 |
23 | 4AV | 0.9304 |
24 | 3EB | 0.9300 |
25 | ARP | 0.9292 |
26 | EWG | 0.9285 |
27 | NVU | 0.9285 |
28 | ZON | 0.9281 |
29 | BB4 | 0.9280 |
30 | I2E | 0.9271 |
31 | NLA | 0.9265 |
32 | DNF | 0.9258 |
33 | 4A5 | 0.9245 |
34 | FWB | 0.9238 |
35 | 6DP | 0.9237 |
36 | 263 | 0.9232 |
37 | 2SX | 0.9224 |
38 | SAF | 0.9224 |
39 | 6J9 | 0.9221 |
40 | DTR | 0.9212 |
41 | BK9 | 0.9212 |
42 | QMS | 0.9210 |
43 | 5F5 | 0.9201 |
44 | EOL | 0.9196 |
45 | 57O | 0.9191 |
46 | 0LH | 0.9189 |
47 | EYY | 0.9187 |
48 | 9BF | 0.9186 |
49 | F52 | 0.9186 |
50 | S24 | 0.9179 |
51 | 8GK | 0.9178 |
52 | SYE | 0.9168 |
53 | LEL | 0.9167 |
54 | H7Y | 0.9163 |
55 | CFA | 0.9152 |
56 | 8XL | 0.9145 |
57 | YTX | 0.9145 |
58 | 8G0 | 0.9141 |
59 | VM1 | 0.9140 |
60 | 3R6 | 0.9140 |
61 | PQZ | 0.9138 |
62 | ITW | 0.9133 |
63 | 1QP | 0.9133 |
64 | 9UL | 0.9132 |
65 | MYI | 0.9130 |
66 | AEH | 0.9121 |
67 | 8U3 | 0.9115 |
68 | EXR | 0.9114 |
69 | OW4 | 0.9113 |
70 | 790 | 0.9105 |
71 | 463 | 0.9099 |
72 | HA5 | 0.9099 |
73 | IOP | 0.9097 |
74 | TRP | 0.9095 |
75 | 2UZ | 0.9093 |
76 | 4OG | 0.9092 |
77 | 9KH | 0.9085 |
78 | BL0 | 0.9084 |
79 | 2O6 | 0.9080 |
80 | EYJ | 0.9079 |
81 | LDP | 0.9073 |
82 | R8Y | 0.9070 |
83 | APS | 0.9068 |
84 | AMR | 0.9066 |
85 | X6P | 0.9066 |
86 | TZM | 0.9066 |
87 | SQV | 0.9064 |
88 | 9FE | 0.9057 |
89 | C2Y | 0.9049 |
90 | 6HO | 0.9047 |
91 | HQ9 | 0.9043 |
92 | OVM | 0.9042 |
93 | MZM | 0.9042 |
94 | 92P | 0.9041 |
95 | ONR | 0.9037 |
96 | OVP | 0.9037 |
97 | DA4 | 0.9035 |
98 | 6VD | 0.9033 |
99 | NFM | 0.9031 |
100 | 7MX | 0.9030 |
101 | 657 | 0.9027 |
102 | FXH | 0.9023 |
103 | HLD | 0.9016 |
104 | AZM | 0.9009 |
105 | 0F9 | 0.9009 |
106 | R20 | 0.9006 |
107 | LNR | 0.9005 |
108 | 3MB | 0.9002 |
109 | 14W | 0.8999 |
110 | 2LY | 0.8997 |
111 | 5WN | 0.8993 |
112 | 2FY | 0.8992 |
113 | M5E | 0.8991 |
114 | KDG | 0.8989 |
115 | DHC | 0.8986 |
116 | VNL | 0.8981 |
117 | XQI | 0.8980 |
118 | OTD | 0.8977 |
119 | 6TZ | 0.8976 |
120 | DNC | 0.8976 |
121 | MP5 | 0.8974 |
122 | TXW | 0.8972 |
123 | NIY | 0.8971 |
124 | 42J | 0.8971 |
125 | EUH | 0.8970 |
126 | OOG | 0.8970 |
127 | 535 | 0.8968 |
128 | AX3 | 0.8968 |
129 | MAJ | 0.8966 |
130 | 2UD | 0.8964 |
131 | VXX | 0.8960 |
132 | HC4 | 0.8958 |
133 | NLG | 0.8958 |
134 | NBG | 0.8957 |
135 | 4TU | 0.8957 |
136 | 4ME | 0.8955 |
137 | 069 | 0.8955 |
138 | 5OF | 0.8952 |
139 | EYV | 0.8950 |
140 | KYA | 0.8949 |
141 | HQJ | 0.8947 |
142 | OKM | 0.8947 |
143 | BQ2 | 0.8946 |
144 | 5FL | 0.8946 |
145 | MR1 | 0.8944 |
146 | M4E | 0.8943 |
147 | CXH | 0.8940 |
148 | 0GZ | 0.8938 |
149 | 5WU | 0.8936 |
150 | U7E | 0.8935 |
151 | 5OB | 0.8931 |
152 | 15N | 0.8929 |
153 | F31 | 0.8928 |
154 | 9F8 | 0.8925 |
155 | DEW | 0.8922 |
156 | 30G | 0.8921 |
157 | 5NI | 0.8920 |
158 | 7I2 | 0.8920 |
159 | FTV | 0.8920 |
160 | G6P | 0.8917 |
161 | PHE | 0.8916 |
162 | R9G | 0.8908 |
163 | JFJ | 0.8902 |
164 | AHN | 0.8901 |
165 | ALN | 0.8901 |
166 | 1F1 | 0.8899 |
167 | G1P | 0.8899 |
168 | 6R8 | 0.8899 |
169 | NGT | 0.8897 |
170 | NQH | 0.8896 |
171 | HHT | 0.8896 |
172 | 9ZE | 0.8889 |
173 | 0JD | 0.8889 |
174 | MHK | 0.8888 |
175 | 1A7 | 0.8888 |
176 | AVA | 0.8887 |
177 | MS0 | 0.8887 |
178 | ICO | 0.8886 |
179 | JXZ | 0.8883 |
180 | 78U | 0.8883 |
181 | TQU | 0.8879 |
182 | ZME | 0.8879 |
183 | 5RN | 0.8876 |
184 | HA7 | 0.8875 |
185 | I59 | 0.8875 |
186 | 3VW | 0.8875 |
187 | 5LD | 0.8874 |
188 | 5XB | 0.8874 |
189 | JB8 | 0.8874 |
190 | M6Z | 0.8874 |
191 | 9R5 | 0.8872 |
192 | 7MW | 0.8872 |
193 | R2P | 0.8872 |
194 | RK4 | 0.8872 |
195 | RVE | 0.8872 |
196 | IFG | 0.8872 |
197 | NAG | 0.8869 |
198 | JDN | 0.8868 |
199 | 8WT | 0.8867 |
200 | H4E | 0.8867 |
201 | M02 | 0.8867 |
202 | FWD | 0.8864 |
203 | ONZ | 0.8864 |
204 | 2ZM | 0.8863 |
205 | 8VN | 0.8863 |
206 | CWD | 0.8862 |
207 | ODO | 0.8862 |
208 | S7G | 0.8862 |
209 | 6NT | 0.8861 |
210 | 7FF | 0.8860 |
211 | N7I | 0.8859 |
212 | AS3 | 0.8859 |
213 | EV0 | 0.8859 |
214 | L21 | 0.8858 |
215 | 5F8 | 0.8855 |
216 | 2HU | 0.8855 |
217 | DTE | 0.8854 |
218 | EV3 | 0.8854 |
219 | F69 | 0.8854 |
220 | BG6 | 0.8853 |
221 | 67Y | 0.8851 |
222 | 6HP | 0.8850 |
223 | 4XV | 0.8849 |
224 | 4HP | 0.8848 |
225 | 6NI | 0.8847 |
226 | MB1 | 0.8847 |
227 | 4I8 | 0.8845 |
228 | 8ZE | 0.8844 |
229 | ABI | 0.8843 |
230 | OGA | 0.8842 |
231 | M1E | 0.8840 |
232 | 1AL | 0.8839 |
233 | DI6 | 0.8836 |
234 | LYL | 0.8835 |
235 | M0W | 0.8834 |
236 | GV9 | 0.8833 |
237 | 8HC | 0.8833 |
238 | 3NY | 0.8833 |
239 | NIP | 0.8832 |
240 | 4KL | 0.8830 |
241 | HPT | 0.8829 |
242 | CX4 | 0.8829 |
243 | 0HN | 0.8828 |
244 | 3C4 | 0.8827 |
245 | 0FK | 0.8824 |
246 | CH9 | 0.8823 |
247 | N3W | 0.8823 |
248 | 52C | 0.8823 |
249 | EV2 | 0.8822 |
250 | M2K | 0.8820 |
251 | GZ2 | 0.8820 |
252 | EUG | 0.8817 |
253 | 7VS | 0.8817 |
254 | TYL | 0.8817 |
255 | AHC | 0.8816 |
256 | JAW | 0.8816 |
257 | N8Y | 0.8816 |
258 | KED | 0.8816 |
259 | AC2 | 0.8816 |
260 | EXL | 0.8815 |
261 | 3A9 | 0.8814 |
262 | NCD | 0.8813 |
263 | BCU | 0.8811 |
264 | 49O | 0.8810 |
265 | PPT | 0.8808 |
266 | 0HO | 0.8808 |
267 | M0Q | 0.8807 |
268 | 36M | 0.8806 |
269 | HJH | 0.8806 |
270 | MS9 | 0.8805 |
271 | EYA | 0.8800 |
272 | V55 | 0.8800 |
273 | 23J | 0.8799 |
274 | 42C | 0.8799 |
275 | 5JT | 0.8797 |
276 | TNX | 0.8796 |
277 | 2F6 | 0.8795 |
278 | JR2 | 0.8794 |
279 | YOF | 0.8792 |
280 | XRX | 0.8792 |
281 | ZIQ | 0.8791 |
282 | JF1 | 0.8789 |
283 | BWD | 0.8786 |
284 | PRO GLY | 0.8784 |
285 | F12 | 0.8784 |
286 | ALE | 0.8783 |
287 | LZ2 | 0.8783 |
288 | EYM | 0.8782 |
289 | TT4 | 0.8782 |
290 | CIT | 0.8782 |
291 | NLQ | 0.8781 |
292 | BZ3 | 0.8780 |
293 | LTN | 0.8778 |
294 | JND | 0.8775 |
295 | NWD | 0.8774 |
296 | 7WR | 0.8773 |
297 | S3P | 0.8772 |
298 | ABF | 0.8770 |
299 | PRZ | 0.8768 |
300 | SHA | 0.8768 |
301 | S7A | 0.8767 |
302 | 5O5 | 0.8765 |
303 | R1P | 0.8761 |
304 | 4XS | 0.8761 |
305 | 091 | 0.8761 |
306 | 3Y7 | 0.8758 |
307 | LTT | 0.8755 |
308 | YPN | 0.8755 |
309 | 89J | 0.8752 |
310 | IWD | 0.8750 |
311 | B2J | 0.8747 |
312 | 5ZZ | 0.8747 |
313 | PJL | 0.8746 |
314 | H7S | 0.8744 |
315 | 6XI | 0.8744 |
316 | N2Z | 0.8743 |
317 | KF5 | 0.8743 |
318 | 54X | 0.8742 |
319 | M1Z | 0.8741 |
320 | KTW | 0.8741 |
321 | 5XC | 0.8741 |
322 | QUS | 0.8739 |
323 | 67X | 0.8737 |
324 | HBI | 0.8737 |
325 | ISC | 0.8736 |
326 | AKG | 0.8735 |
327 | CLU | 0.8734 |
328 | 4VS | 0.8728 |
329 | 96Z | 0.8727 |
330 | 2K8 | 0.8726 |
331 | AVO | 0.8725 |
332 | XDK | 0.8725 |
333 | SKF | 0.8724 |
334 | GO2 | 0.8723 |
335 | KDF | 0.8722 |
336 | CTE | 0.8722 |
337 | TOH | 0.8721 |
338 | GCO | 0.8720 |
339 | NOK | 0.8717 |
340 | F9Y | 0.8715 |
341 | UAN | 0.8714 |
342 | 5NS | 0.8714 |
343 | GLU | 0.8714 |
344 | XFE | 0.8714 |
345 | ARG | 0.8713 |
346 | YIH | 0.8712 |
347 | CWJ | 0.8710 |
348 | 0A1 | 0.8709 |
349 | ESI | 0.8707 |
350 | HJB | 0.8706 |
351 | SDF | 0.8705 |
352 | MPK | 0.8704 |
353 | DIE | 0.8703 |
354 | D1G | 0.8701 |
355 | GLO | 0.8700 |
356 | FE DB1 | 0.8700 |
357 | JRB | 0.8700 |
358 | FLC | 0.8698 |
359 | FIX | 0.8696 |
360 | 41K | 0.8695 |
361 | I3A | 0.8695 |
362 | SOR | 0.8695 |
363 | 33S | 0.8694 |
364 | 2AL | 0.8692 |
365 | MIG | 0.8690 |
366 | 3B4 | 0.8688 |
367 | P9E | 0.8687 |
368 | PA5 | 0.8687 |
369 | AOR | 0.8684 |
370 | DGN | 0.8681 |
371 | GNL | 0.8681 |
372 | 3IB | 0.8681 |
373 | 3TC | 0.8680 |
374 | 9X5 | 0.8680 |
375 | B2Y | 0.8679 |
376 | ASC | 0.8679 |
377 | HNL | 0.8678 |
378 | N2I | 0.8677 |
379 | NSG | 0.8676 |
380 | 1SS | 0.8676 |
381 | Z5P | 0.8674 |
382 | CE2 | 0.8673 |
383 | KP6 | 0.8670 |
384 | LIP | 0.8669 |
385 | DGL | 0.8668 |
386 | TYE | 0.8668 |
387 | 5AD | 0.8667 |
388 | C82 | 0.8666 |
389 | 5TZ | 0.8666 |
390 | DG2 | 0.8666 |
391 | DJN | 0.8664 |
392 | HHH | 0.8664 |
393 | KDO | 0.8661 |
394 | S0E | 0.8661 |
395 | 772 | 0.8659 |
396 | 264 | 0.8659 |
397 | SG2 | 0.8658 |
398 | NGW | 0.8656 |
399 | K48 | 0.8655 |
400 | 6KT | 0.8649 |
401 | F0J | 0.8649 |
402 | CKA | 0.8648 |
403 | 5DL | 0.8648 |
404 | AKH | 0.8647 |
405 | 4HM | 0.8646 |
406 | CGW | 0.8645 |
407 | NYL | 0.8643 |
408 | GDE | 0.8642 |
409 | PVQ | 0.8640 |
410 | SLY | 0.8639 |
411 | 46P | 0.8639 |
412 | PVK | 0.8637 |
413 | KYN | 0.8637 |
414 | PQK | 0.8636 |
415 | T9G | 0.8635 |
416 | 5DS | 0.8634 |
417 | GZQ | 0.8634 |
418 | BPY | 0.8631 |
419 | IQ5 | 0.8631 |
420 | FUD | 0.8631 |
421 | M1H | 0.8630 |
422 | BGC | 0.8630 |
423 | CIY | 0.8630 |
424 | II6 | 0.8628 |
425 | DBJ | 0.8626 |
426 | AUV | 0.8626 |
427 | M78 | 0.8626 |
428 | 2ZQ | 0.8625 |
429 | 1FE | 0.8625 |
430 | DXP | 0.8624 |
431 | SR4 | 0.8624 |
432 | BNF | 0.8624 |
433 | FP1 | 0.8623 |
434 | REL | 0.8622 |
435 | BZE | 0.8621 |
436 | 0GY | 0.8618 |
437 | 5XW | 0.8617 |
438 | IBM | 0.8616 |
439 | EXD | 0.8614 |
440 | HLZ | 0.8614 |
441 | WVV | 0.8613 |
442 | 8WZ | 0.8612 |
443 | 5WY | 0.8612 |
444 | 1WC | 0.8612 |
445 | YZM | 0.8612 |
446 | TI7 | 0.8610 |
447 | CC5 | 0.8610 |
448 | Q6T | 0.8610 |
449 | 4ZD | 0.8609 |
450 | 2LP | 0.8607 |
451 | NCT | 0.8606 |
452 | 42A | 0.8606 |
453 | 0OL | 0.8604 |
454 | L5V | 0.8601 |
455 | 1VK | 0.8600 |
456 | 3HG | 0.8596 |
457 | NDG | 0.8596 |
458 | XI7 | 0.8595 |
459 | 5V7 | 0.8595 |
460 | THM | 0.8594 |
461 | V1T | 0.8592 |
462 | ASE | 0.8592 |
463 | K7M | 0.8592 |
464 | 49N | 0.8591 |
465 | MIL | 0.8585 |
466 | 1SV | 0.8583 |
467 | LZM | 0.8582 |
468 | PLP | 0.8579 |
469 | 4NS | 0.8579 |
470 | HMQ | 0.8577 |
471 | LFQ | 0.8572 |
472 | 3YP | 0.8571 |
473 | E4P | 0.8571 |
474 | TRC | 0.8569 |
475 | CPW | 0.8566 |
476 | JZ4 | 0.8565 |
477 | 261 | 0.8565 |
478 | 5MK | 0.8565 |
479 | INE | 0.8564 |
480 | 4V2 | 0.8563 |
481 | GAL | 0.8561 |
482 | KP2 | 0.8561 |
483 | HIS | 0.8560 |
484 | W81 | 0.8560 |
485 | URC | 0.8558 |
486 | 6HX | 0.8558 |
487 | 7ME | 0.8555 |
488 | 5OO | 0.8551 |
489 | 5NE | 0.8550 |
490 | 5GT | 0.8548 |
491 | 7HQ | 0.8546 |
492 | LSQ | 0.8542 |
493 | 9FL | 0.8539 |
494 | LPK | 0.8539 |
495 | 7O4 | 0.8538 |
496 | 6FZ | 0.8536 |
497 | FBW | 0.8532 |
498 | RUY | 0.8528 |
499 | 3BU | 0.8527 |
500 | FHC | 0.8525 |
501 | EY7 | 0.8522 |
502 | TIU | 0.8518 |
503 | 3DO | 0.8512 |
This union binding pocket(no: 1) in the query (biounit: 1ajq.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |