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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 | 2Z28 | - | NCD | C5 H8 N2 O5 | C([C@@H](C.... |
2 | 2Z25 | - | NCD | C5 H8 N2 O5 | C([C@@H](C.... |
3 | 2EG8 | Ki = 31.8 uM | FOT | C5 H3 F N2 O4 | C1(=C(NC(=.... |
4 | 2Z2A | - | NCD | C5 H8 N2 O5 | C([C@@H](C.... |
5 | 2Z26 | - | NCD | C5 H8 N2 O5 | C([C@@H](C.... |
6 | 2Z24 | - | NCD | C5 H8 N2 O5 | C([C@@H](C.... |
7 | 1XGE | Kd = 20.8 uM | DOR | C5 H6 N2 O4 | C1[C@H](NC.... |
8 | 1J79 | - | ORO | C5 H4 N2 O4 | C1=C(NC(=O.... |
9 | 2Z29 | - | NCD | C5 H8 N2 O5 | C([C@@H](C.... |
10 | 2EG7 | Ki = 1.3 uM | OTD | C6 H6 N2 O5 | C1=C(NC(=O.... |
11 | 2Z27 | - | NCD | C5 H8 N2 O5 | C([C@@H](C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 2Z28 | - | NCD | C5 H8 N2 O5 | C([C@@H](C.... |
2 | 2Z25 | - | NCD | C5 H8 N2 O5 | C([C@@H](C.... |
3 | 2EG8 | Ki = 31.8 uM | FOT | C5 H3 F N2 O4 | C1(=C(NC(=.... |
4 | 2Z2A | - | NCD | C5 H8 N2 O5 | C([C@@H](C.... |
5 | 2Z26 | - | NCD | C5 H8 N2 O5 | C([C@@H](C.... |
6 | 2Z24 | - | NCD | C5 H8 N2 O5 | C([C@@H](C.... |
7 | 1XGE | Kd = 20.8 uM | DOR | C5 H6 N2 O4 | C1[C@H](NC.... |
8 | 1J79 | - | ORO | C5 H4 N2 O4 | C1=C(NC(=O.... |
9 | 2Z29 | - | NCD | C5 H8 N2 O5 | C([C@@H](C.... |
10 | 2EG7 | Ki = 1.3 uM | OTD | C6 H6 N2 O5 | C1=C(NC(=O.... |
11 | 2Z27 | - | NCD | C5 H8 N2 O5 | C([C@@H](C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | OTD | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | HLD | 0.9693 |
2 | 0GZ | 0.9689 |
3 | PDC | 0.9509 |
4 | PD2 | 0.9462 |
5 | DNC | 0.9457 |
6 | 3MB | 0.9408 |
7 | QPR | 0.9406 |
8 | OW7 | 0.9395 |
9 | RD4 | 0.9388 |
10 | ORO | 0.9363 |
11 | 8G0 | 0.9343 |
12 | DNF | 0.9331 |
13 | 2ZQ | 0.9321 |
14 | FLC | 0.9303 |
15 | UAN | 0.9289 |
16 | GV9 | 0.9288 |
17 | 7WR | 0.9282 |
18 | F12 | 0.9265 |
19 | AW5 | 0.9264 |
20 | TRA | 0.9254 |
21 | AIN | 0.9250 |
22 | II6 | 0.9243 |
23 | NID | 0.9242 |
24 | CCB | 0.9237 |
25 | GLY PRO | 0.9235 |
26 | 5WY | 0.9222 |
27 | 1AL | 0.9222 |
28 | OVM | 0.9212 |
29 | EDM | 0.9208 |
30 | TSR | 0.9203 |
31 | VNL | 0.9203 |
32 | KYA | 0.9202 |
33 | NVU | 0.9202 |
34 | OXC | 0.9202 |
35 | FWB | 0.9197 |
36 | OW4 | 0.9191 |
37 | XEN | 0.9190 |
38 | JKZ | 0.9189 |
39 | AKH | 0.9185 |
40 | OIA | 0.9184 |
41 | DOR | 0.9184 |
42 | SYA | 0.9178 |
43 | Q6T | 0.9174 |
44 | 0GY | 0.9173 |
45 | CIT | 0.9170 |
46 | D1X | 0.9167 |
47 | D07 | 0.9166 |
48 | 7ZE | 0.9164 |
49 | BK9 | 0.9161 |
50 | 34D | 0.9157 |
51 | FBG | 0.9149 |
52 | 42C | 0.9149 |
53 | MZM | 0.9148 |
54 | SRO | 0.9138 |
55 | NCD | 0.9130 |
56 | 6VD | 0.9128 |
57 | ATH | 0.9127 |
58 | 8GK | 0.9124 |
59 | 9AP | 0.9119 |
60 | 2AL | 0.9119 |
61 | C2U | 0.9118 |
62 | GCU | 0.9117 |
63 | KIB | 0.9115 |
64 | LDR | 0.9105 |
65 | Z5P | 0.9104 |
66 | URC | 0.9103 |
67 | 7NI | 0.9091 |
68 | 40H | 0.9090 |
69 | F31 | 0.9090 |
70 | 4ME | 0.9088 |
71 | PQK | 0.9085 |
72 | ICO | 0.9084 |
73 | 5RN | 0.9084 |
74 | ZZ8 | 0.9083 |
75 | 2CG | 0.9083 |
76 | O2A | 0.9082 |
77 | 0LH | 0.9079 |
78 | 6BL | 0.9077 |
79 | A13 | 0.9077 |
80 | M5N | 0.9076 |
81 | 7VS | 0.9076 |
82 | FOT | 0.9068 |
83 | OKM | 0.9065 |
84 | PRZ | 0.9061 |
85 | CKU | 0.9060 |
86 | INE | 0.9060 |
87 | MHK | 0.9054 |
88 | CSN | 0.9053 |
89 | GDE | 0.9053 |
90 | MB1 | 0.9051 |
91 | TSS | 0.9049 |
92 | KIA | 0.9045 |
93 | IOS | 0.9044 |
94 | 4KL | 0.9043 |
95 | FGZ | 0.9038 |
96 | QSH | 0.9037 |
97 | M0Q | 0.9037 |
98 | ICT | 0.9036 |
99 | FXH | 0.9034 |
100 | 0F9 | 0.9031 |
101 | IJZ | 0.9028 |
102 | FE DB1 | 0.9025 |
103 | J9W | 0.9022 |
104 | EKN | 0.9021 |
105 | NLG | 0.9021 |
106 | C2Y | 0.9017 |
107 | 8WZ | 0.9017 |
108 | OVP | 0.9016 |
109 | M0W | 0.9016 |
110 | M1Q | 0.9014 |
111 | TRC | 0.9012 |
112 | M1H | 0.9011 |
113 | 6XI | 0.9010 |
114 | 4MU | 0.9009 |
115 | 790 | 0.9009 |
116 | 1X7 | 0.9005 |
117 | FRU | 0.9004 |
118 | 7I2 | 0.9004 |
119 | HLZ | 0.8997 |
120 | QMS | 0.8997 |
121 | X8D | 0.8996 |
122 | TWO | 0.8994 |
123 | J01 | 0.8994 |
124 | 67X | 0.8992 |
125 | 9MG | 0.8992 |
126 | NLA | 0.8991 |
127 | HNQ | 0.8989 |
128 | HJP | 0.8985 |
129 | 2LY | 0.8983 |
130 | UNC | 0.8983 |
131 | 4A5 | 0.8983 |
132 | NFQ | 0.8981 |
133 | M1E | 0.8978 |
134 | 4HC | 0.8977 |
135 | ONR | 0.8977 |
136 | NSG | 0.8977 |
137 | GNL | 0.8977 |
138 | MNP | 0.8977 |
139 | 8XQ | 0.8975 |
140 | 92P | 0.8973 |
141 | 5NS | 0.8972 |
142 | 9DG | 0.8971 |
143 | M3Q | 0.8971 |
144 | AS3 | 0.8970 |
145 | GAB | 0.8970 |
146 | 6R8 | 0.8969 |
147 | MJ2 | 0.8966 |
148 | XQK | 0.8965 |
149 | MO8 | 0.8964 |
150 | DHK | 0.8961 |
151 | GUN | 0.8958 |
152 | XAN | 0.8956 |
153 | I7A | 0.8956 |
154 | R8S | 0.8954 |
155 | JXW | 0.8954 |
156 | JR2 | 0.8952 |
157 | APZ | 0.8952 |
158 | 3MG | 0.8949 |
159 | DIE | 0.8947 |
160 | NGO | 0.8946 |
161 | EV0 | 0.8946 |
162 | I6G | 0.8944 |
163 | V55 | 0.8944 |
164 | AZ8 | 0.8943 |
165 | EA1 | 0.8941 |
166 | ZON | 0.8941 |
167 | 091 | 0.8941 |
168 | 3NT | 0.8941 |
169 | 3HB | 0.8940 |
170 | 329 | 0.8939 |
171 | 1F1 | 0.8939 |
172 | ARP | 0.8937 |
173 | 5NE | 0.8936 |
174 | 3AL | 0.8936 |
175 | 463 | 0.8936 |
176 | GTQ | 0.8936 |
177 | 6DP | 0.8935 |
178 | 30G | 0.8934 |
179 | GJS | 0.8932 |
180 | IAC | 0.8931 |
181 | OVV | 0.8931 |
182 | NGT | 0.8930 |
183 | NGW | 0.8930 |
184 | FBU | 0.8928 |
185 | M2K | 0.8927 |
186 | I3A | 0.8927 |
187 | 54G | 0.8927 |
188 | 49O | 0.8926 |
189 | MUA | 0.8926 |
190 | GM7 | 0.8926 |
191 | 3DM | 0.8924 |
192 | TQU | 0.8922 |
193 | EUG | 0.8919 |
194 | Q24 | 0.8918 |
195 | DBJ | 0.8918 |
196 | KDO | 0.8917 |
197 | 5OB | 0.8917 |
198 | PEY | 0.8915 |
199 | AQO | 0.8914 |
200 | 4TU | 0.8911 |
201 | OMD | 0.8910 |
202 | 60Q | 0.8909 |
203 | 87L | 0.8909 |
204 | M5K | 0.8908 |
205 | AJ2 | 0.8908 |
206 | YH7 | 0.8907 |
207 | DRL | 0.8905 |
208 | 2FY | 0.8905 |
209 | AZA | 0.8904 |
210 | APS | 0.8904 |
211 | NQ | 0.8903 |
212 | 2D3 | 0.8902 |
213 | RXA | 0.8901 |
214 | 1XM | 0.8899 |
215 | PE0 | 0.8899 |
216 | VK3 | 0.8899 |
217 | HHT | 0.8899 |
218 | TNL | 0.8898 |
219 | MEW | 0.8896 |
220 | 7FF | 0.8895 |
221 | X09 | 0.8894 |
222 | DIU | 0.8893 |
223 | TVP | 0.8893 |
224 | TNF | 0.8891 |
225 | DQU | 0.8888 |
226 | 6GU | 0.8887 |
227 | M6N | 0.8887 |
228 | NTC | 0.8886 |
229 | HA5 | 0.8884 |
230 | VXX | 0.8883 |
231 | 5WU | 0.8883 |
232 | 6ME | 0.8883 |
233 | SYR | 0.8882 |
234 | 6OT | 0.8881 |
235 | 7ME | 0.8881 |
236 | 9TZ | 0.8879 |
237 | 9KH | 0.8879 |
238 | HA7 | 0.8878 |
239 | 6AP | 0.8876 |
240 | 2A7 | 0.8875 |
241 | 141 | 0.8873 |
242 | DNA | 0.8872 |
243 | AZG | 0.8870 |
244 | 2MN | 0.8870 |
245 | H6B | 0.8870 |
246 | BGC | 0.8869 |
247 | 8VN | 0.8869 |
248 | 9UL | 0.8869 |
249 | 0N7 | 0.8869 |
250 | LZ2 | 0.8868 |
251 | MBG | 0.8867 |
252 | PEZ | 0.8865 |
253 | CKA | 0.8864 |
254 | DA4 | 0.8864 |
255 | 5RG | 0.8864 |
256 | NMJ | 0.8860 |
257 | 53C | 0.8860 |
258 | 8TX | 0.8858 |
259 | AMG | 0.8858 |
260 | 2ZM | 0.8857 |
261 | HQD | 0.8856 |
262 | 44V | 0.8854 |
263 | 5NI | 0.8853 |
264 | 39U | 0.8853 |
265 | DHY | 0.8852 |
266 | TXW | 0.8850 |
267 | 3S4 | 0.8848 |
268 | LT8 | 0.8847 |
269 | VOH | 0.8847 |
270 | BDP | 0.8846 |
271 | GLG | 0.8842 |
272 | 97T | 0.8841 |
273 | 3OC | 0.8841 |
274 | DEW | 0.8840 |
275 | 3R6 | 0.8839 |
276 | S76 | 0.8839 |
277 | 6NT | 0.8838 |
278 | HCA | 0.8838 |
279 | V6F | 0.8838 |
280 | GLC | 0.8837 |
281 | F0J | 0.8835 |
282 | OTW | 0.8832 |
283 | 5JQ | 0.8832 |
284 | 3NY | 0.8831 |
285 | LSA | 0.8831 |
286 | 290 | 0.8831 |
287 | LEL | 0.8831 |
288 | 6NI | 0.8831 |
289 | 5HY | 0.8831 |
290 | 5M0 | 0.8830 |
291 | KBB | 0.8830 |
292 | A2F | 0.8829 |
293 | B2J | 0.8828 |
294 | RM1 | 0.8827 |
295 | GZ8 | 0.8826 |
296 | 6CS | 0.8826 |
297 | BTY | 0.8826 |
298 | UFV | 0.8826 |
299 | 2O6 | 0.8825 |
300 | K2P | 0.8822 |
301 | IGA | 0.8822 |
302 | ABI | 0.8822 |
303 | 75K | 0.8821 |
304 | XHP | 0.8820 |
305 | 4CS | 0.8820 |
306 | ALA PRO | 0.8815 |
307 | SKM | 0.8815 |
308 | CFA | 0.8815 |
309 | 9UG | 0.8813 |
310 | XX3 | 0.8813 |
311 | XQG | 0.8813 |
312 | 15L | 0.8813 |
313 | BZ3 | 0.8813 |
314 | 9FE | 0.8812 |
315 | 495 | 0.8811 |
316 | 4M4 | 0.8808 |
317 | EYK | 0.8807 |
318 | F95 | 0.8806 |
319 | NQM | 0.8806 |
320 | SF6 | 0.8806 |
321 | 0HN | 0.8805 |
322 | QX4 | 0.8805 |
323 | DX4 | 0.8803 |
324 | 7HQ | 0.8803 |
325 | 5FN | 0.8802 |
326 | KT7 | 0.8802 |
327 | B55 | 0.8802 |
328 | 5MK | 0.8802 |
329 | MQB | 0.8799 |
330 | NAG | 0.8799 |
331 | 0HO | 0.8799 |
332 | H5B | 0.8798 |
333 | 4XV | 0.8795 |
334 | 3IT | 0.8794 |
335 | JXZ | 0.8794 |
336 | M4E | 0.8794 |
337 | B62 | 0.8793 |
338 | GLY LEU | 0.8793 |
339 | XAZ | 0.8792 |
340 | WCE | 0.8792 |
341 | 5XC | 0.8792 |
342 | EVA | 0.8791 |
343 | GTR | 0.8789 |
344 | ZZ3 | 0.8789 |
345 | 8IG | 0.8787 |
346 | QBK | 0.8786 |
347 | 2HU | 0.8786 |
348 | 3A9 | 0.8785 |
349 | JAW | 0.8782 |
350 | 2C2 | 0.8781 |
351 | BOA | 0.8780 |
352 | QAS | 0.8780 |
353 | Q71 | 0.8779 |
354 | 5VJ | 0.8779 |
355 | QAT | 0.8777 |
356 | 7MX | 0.8776 |
357 | K3Q | 0.8775 |
358 | 7UC | 0.8775 |
359 | 4XS | 0.8773 |
360 | TT4 | 0.8770 |
361 | HQJ | 0.8767 |
362 | ALA LEU | 0.8767 |
363 | PFL | 0.8767 |
364 | VM1 | 0.8766 |
365 | GOX | 0.8765 |
366 | FA3 | 0.8764 |
367 | J9Q | 0.8763 |
368 | 3BZ | 0.8763 |
369 | CFP | 0.8762 |
370 | 8HC | 0.8762 |
371 | JB8 | 0.8760 |
372 | 1P3 | 0.8760 |
373 | PQZ | 0.8758 |
374 | 67Y | 0.8758 |
375 | QSB | 0.8757 |
376 | OHP | 0.8757 |
377 | EXR | 0.8755 |
378 | 15N | 0.8752 |
379 | XQB | 0.8751 |
380 | BRT | 0.8751 |
381 | 2SX | 0.8750 |
382 | GCB | 0.8748 |
383 | 8WQ | 0.8748 |
384 | 44W | 0.8747 |
385 | KFH | 0.8744 |
386 | M5H | 0.8742 |
387 | FLV | 0.8739 |
388 | GC2 | 0.8739 |
389 | MS9 | 0.8738 |
390 | M6Z | 0.8737 |
391 | 2AK | 0.8737 |
392 | 64C | 0.8737 |
393 | GLA | 0.8734 |
394 | CHB | 0.8734 |
395 | AZ9 | 0.8734 |
396 | MT0 | 0.8734 |
397 | LZM | 0.8732 |
398 | 1QP | 0.8731 |
399 | 5F5 | 0.8731 |
400 | BCU | 0.8731 |
401 | NTZ | 0.8731 |
402 | 5WX | 0.8731 |
403 | SX1 | 0.8730 |
404 | X0W | 0.8730 |
405 | QQQ | 0.8730 |
406 | P9P | 0.8729 |
407 | DQA | 0.8728 |
408 | TIU | 0.8727 |
409 | LGC | 0.8726 |
410 | BMA | 0.8724 |
411 | NPA | 0.8723 |
412 | IHB | 0.8723 |
413 | 42A | 0.8722 |
414 | YQA | 0.8721 |
415 | BHA | 0.8721 |
416 | FA0 | 0.8721 |
417 | TTY | 0.8720 |
418 | QM1 | 0.8719 |
419 | 0JD | 0.8715 |
420 | YSO | 0.8712 |
421 | 9R5 | 0.8712 |
422 | 3AB | 0.8712 |
423 | 1U1 | 0.8712 |
424 | DOB | 0.8711 |
425 | MMA | 0.8709 |
426 | GT0 | 0.8709 |
427 | SXS | 0.8709 |
428 | 5NU | 0.8708 |
429 | AY4 | 0.8708 |
430 | 0CU | 0.8706 |
431 | HH5 | 0.8705 |
432 | 8XL | 0.8705 |
433 | 5JL | 0.8705 |
434 | NLQ | 0.8704 |
435 | 93K | 0.8704 |
436 | BCP | 0.8703 |
437 | DBH | 0.8702 |
438 | GYP | 0.8702 |
439 | 40F | 0.8701 |
440 | 5XB | 0.8700 |
441 | 5HN | 0.8700 |
442 | 5CU | 0.8698 |
443 | 8VE | 0.8698 |
444 | KLW | 0.8698 |
445 | DHB | 0.8696 |
446 | 0FO | 0.8695 |
447 | G3F | 0.8694 |
448 | XXP | 0.8694 |
449 | FYU | 0.8694 |
450 | NTM | 0.8691 |
451 | MVN | 0.8690 |
452 | E35 | 0.8690 |
453 | 57O | 0.8690 |
454 | 9TW | 0.8689 |
455 | 3F0 | 0.8688 |
456 | 8GC | 0.8687 |
457 | MYJ | 0.8685 |
458 | 28N | 0.8685 |
459 | JDN | 0.8684 |
460 | FA6 | 0.8683 |
461 | 7MU | 0.8682 |
462 | NBG | 0.8679 |
463 | INO | 0.8678 |
464 | 2F6 | 0.8677 |
465 | DTR | 0.8676 |
466 | 1Z8 | 0.8673 |
467 | PXL | 0.8671 |
468 | MT8 | 0.8668 |
469 | KBG | 0.8668 |
470 | 4M0 | 0.8665 |
471 | 3HA | 0.8663 |
472 | GAL | 0.8663 |
473 | AHN | 0.8662 |
474 | PHT | 0.8660 |
475 | 2HO | 0.8658 |
476 | 4NC | 0.8658 |
477 | 45L | 0.8657 |
478 | 1N4 | 0.8656 |
479 | 4Z4 | 0.8654 |
480 | N8Y | 0.8653 |
481 | 52C | 0.8651 |
482 | SJ5 | 0.8651 |
483 | BPU | 0.8650 |
484 | 692 | 0.8649 |
485 | 51R | 0.8647 |
486 | 069 | 0.8642 |
487 | 12M | 0.8641 |
488 | G1P | 0.8640 |
489 | PRF | 0.8640 |
490 | GCS | 0.8640 |
491 | CBF | 0.8638 |
492 | L5V | 0.8636 |
493 | ALN | 0.8635 |
494 | 5RO | 0.8633 |
495 | CTS | 0.8633 |
496 | IBM | 0.8628 |
497 | 0FK | 0.8625 |
498 | N2Z | 0.8625 |
499 | IOP | 0.8625 |
500 | HMU | 0.8623 |
501 | 9BF | 0.8623 |
502 | 1XN | 0.8623 |
503 | MAQ | 0.8620 |
504 | EOL | 0.8620 |
505 | N2I | 0.8619 |
506 | KDG | 0.8616 |
507 | F69 | 0.8616 |
508 | UFO | 0.8614 |
509 | IPZ | 0.8614 |
510 | ODO | 0.8613 |
511 | ZB1 | 0.8612 |
512 | SHA | 0.8610 |
513 | LT3 | 0.8610 |
514 | 5OF | 0.8609 |
515 | 9FL | 0.8607 |
516 | LT2 | 0.8604 |
517 | FIX | 0.8601 |
518 | EPR | 0.8600 |
519 | DIG | 0.8600 |
520 | B60 | 0.8600 |
521 | B5D | 0.8598 |
522 | YIO | 0.8594 |
523 | JF1 | 0.8593 |
524 | Q88 | 0.8591 |
525 | 7CT | 0.8591 |
526 | SHG | 0.8588 |
527 | FP1 | 0.8587 |
528 | PJW | 0.8587 |
529 | 7A3 | 0.8587 |
530 | 3M0 | 0.8586 |
531 | 9PY | 0.8586 |
532 | TRP | 0.8585 |
533 | SBI | 0.8584 |
534 | R8Y | 0.8583 |
535 | I3C | 0.8578 |
536 | QUS | 0.8578 |
537 | H05 | 0.8578 |
538 | AZM | 0.8577 |
539 | GIV | 0.8577 |
540 | NOJ | 0.8576 |
541 | XCZ | 0.8575 |
542 | JF2 | 0.8575 |
543 | R1P | 0.8574 |
544 | 5PX | 0.8573 |
545 | 49N | 0.8571 |
546 | 149 | 0.8570 |
547 | GSY | 0.8569 |
548 | 2FG | 0.8564 |
549 | 2J9 | 0.8562 |
550 | MWP | 0.8553 |
551 | GCV | 0.8551 |
552 | 1LQ | 0.8551 |
553 | 61O | 0.8550 |
554 | 3BU | 0.8548 |
555 | IPB | 0.8547 |
556 | BRV | 0.8543 |
557 | 8S0 | 0.8540 |
558 | AX3 | 0.8537 |
559 | 4OG | 0.8531 |
560 | 261 | 0.8530 |
561 | R20 | 0.8527 |
562 | Q7A | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 2eg7.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4C6F | NCD | 39.1931 |
2 | 4C6F | DOR | 39.1931 |
This union binding pocket(no: 2) in the query (biounit: 2eg7.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4C6F | DOR | 39.1931 |
2 | 4C6F | NCD | 39.1931 |