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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 214 families. | |||||
1 | 1Y20 | Ki = 4.8 uM | 1AC | C4 H7 N O2 | C1CC1(C(=O.... |
2 | 1PB7 | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
3 | 1Y1Z | Ki = 0.831 mM | 192 | C5 H9 N O2 | C1CC(C1)(C.... |
4 | 1PB8 | Ki = 7.02 uM | DSN | C3 H7 N O3 | C([C@H](C(.... |
5 | 1Y1M | Ki = 15.3 mM | AC5 | C6 H11 N O2 | C1CCC(C1)(.... |
6 | 1PBQ | Ki = 0.54 uM | DK1 | C10 H5 Cl2 N O3 | c1c(cc(c2c.... |
7 | 1PB9 | Ki = 241 uM | 4AX | C3 H6 N2 O2 | C1[C@H](C(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 3OEM | - | OEM | C5 H9 N O4 | CN[C@H](CC.... |
2 | 3OEN | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
3 | 3OEK | - | ASP | C4 H7 N O4 | C([C@@H](C.... |
4 | 4JWY | - | 1N4 | C8 H13 N3 O3 | CCCc1cnn(c.... |
5 | 3OEL | - | DGL | C5 H9 N O4 | C(CC(=O)O).... |
6 | 4JWX | - | 1N4 | C8 H13 N3 O3 | CCCc1cnn(c.... |
7 | 2A5S | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
8 | 2RC9 | - | 1AC | C4 H7 N O2 | C1CC1(C(=O.... |
9 | 2RC8 | - | DSN | C3 H7 N O3 | C([C@H](C(.... |
10 | 2RC7 | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
11 | 2RCB | - | DSN | C3 H7 N O3 | C([C@H](C(.... |
12 | 2RCA | Kd = 16.4 nM | GLY | C2 H5 N O2 | C(C(=O)O)N |
13 | 1Y20 | Ki = 4.8 uM | 1AC | C4 H7 N O2 | C1CC1(C(=O.... |
14 | 1PB7 | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
15 | 1Y1Z | Ki = 0.831 mM | 192 | C5 H9 N O2 | C1CC(C1)(C.... |
16 | 1PB8 | Ki = 7.02 uM | DSN | C3 H7 N O3 | C([C@H](C(.... |
17 | 1Y1M | Ki = 15.3 mM | AC5 | C6 H11 N O2 | C1CCC(C1)(.... |
18 | 1PBQ | Ki = 0.54 uM | DK1 | C10 H5 Cl2 N O3 | c1c(cc(c2c.... |
19 | 1PB9 | Ki = 241 uM | 4AX | C3 H6 N2 O2 | C1[C@H](C(.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CKA | 0.9751 |
2 | JP2 | 0.9670 |
3 | 30G | 0.9411 |
4 | 4KL | 0.9371 |
5 | NDG | 0.9371 |
6 | KYA | 0.9363 |
7 | AY4 | 0.9335 |
8 | 5WT | 0.9332 |
9 | V1T | 0.9330 |
10 | 3J8 | 0.9330 |
11 | 7I2 | 0.9322 |
12 | 1X8 | 0.9318 |
13 | GNM | 0.9318 |
14 | DNA | 0.9315 |
15 | IQ5 | 0.9282 |
16 | GNV | 0.9278 |
17 | 15N | 0.9273 |
18 | THA | 0.9268 |
19 | JTA | 0.9260 |
20 | 6ZW | 0.9252 |
21 | NAG | 0.9247 |
22 | DNC | 0.9246 |
23 | FLV | 0.9244 |
24 | 0XT | 0.9243 |
25 | F2W | 0.9235 |
26 | 5TY | 0.9201 |
27 | AA | 0.9201 |
28 | 226 | 0.9200 |
29 | BIK | 0.9194 |
30 | B56 | 0.9190 |
31 | K68 | 0.9187 |
32 | H5B | 0.9185 |
33 | X11 | 0.9176 |
34 | 0FK | 0.9172 |
35 | HA5 | 0.9167 |
36 | 8HC | 0.9161 |
37 | 0JD | 0.9152 |
38 | E1T | 0.9151 |
39 | DRG | 0.9147 |
40 | M6Z | 0.9143 |
41 | WUB | 0.9141 |
42 | LDR | 0.9140 |
43 | MUX | 0.9134 |
44 | 9FE | 0.9132 |
45 | DNF | 0.9128 |
46 | 9AP | 0.9126 |
47 | ANF | 0.9124 |
48 | 692 | 0.9124 |
49 | 0F9 | 0.9120 |
50 | B21 | 0.9118 |
51 | 774 | 0.9115 |
52 | TXW | 0.9115 |
53 | 6QF | 0.9112 |
54 | SRO | 0.9106 |
55 | 537 | 0.9101 |
56 | 2GQ | 0.9100 |
57 | HBO | 0.9097 |
58 | 8WZ | 0.9095 |
59 | JG8 | 0.9095 |
60 | FCD | 0.9094 |
61 | ANC | 0.9090 |
62 | 344 | 0.9089 |
63 | AMR | 0.9081 |
64 | BPU | 0.9080 |
65 | 54X | 0.9078 |
66 | BZJ | 0.9076 |
67 | PEY | 0.9072 |
68 | R9Y | 0.9067 |
69 | UXH | 0.9064 |
70 | 7MX | 0.9064 |
71 | XM5 | 0.9062 |
72 | QMS | 0.9060 |
73 | UFO | 0.9058 |
74 | DPT | 0.9057 |
75 | DX7 | 0.9050 |
76 | GNY | 0.9048 |
77 | 6VD | 0.9048 |
78 | ZHA | 0.9044 |
79 | 4MU | 0.9042 |
80 | GDL | 0.9038 |
81 | ONR | 0.9037 |
82 | JU2 | 0.9035 |
83 | KLV | 0.9034 |
84 | 209 | 0.9031 |
85 | 5GT | 0.9020 |
86 | 2K8 | 0.9020 |
87 | 7WR | 0.9018 |
88 | 2D3 | 0.9017 |
89 | SG2 | 0.9016 |
90 | CLZ | 0.9015 |
91 | K3Q | 0.9014 |
92 | CSN | 0.9013 |
93 | N8Y | 0.9009 |
94 | ZYR | 0.9004 |
95 | H70 | 0.9000 |
96 | SLS | 0.8999 |
97 | IQZ | 0.8996 |
98 | K25 | 0.8995 |
99 | 8MO | 0.8994 |
100 | BA5 | 0.8993 |
101 | 8G6 | 0.8986 |
102 | HHS | 0.8985 |
103 | E1K | 0.8984 |
104 | TCR | 0.8981 |
105 | JR2 | 0.8981 |
106 | GNJ | 0.8978 |
107 | GHM | 0.8972 |
108 | TWO | 0.8971 |
109 | PLP | 0.8969 |
110 | K97 | 0.8967 |
111 | 1X7 | 0.8965 |
112 | 28S | 0.8964 |
113 | 0W1 | 0.8962 |
114 | CNI | 0.8956 |
115 | SKF | 0.8954 |
116 | 4RU | 0.8953 |
117 | 68A | 0.8953 |
118 | X0W | 0.8953 |
119 | S60 | 0.8950 |
120 | 8XQ | 0.8950 |
121 | H33 | 0.8948 |
122 | F5C | 0.8947 |
123 | NRA | 0.8946 |
124 | M5H | 0.8946 |
125 | GF4 | 0.8944 |
126 | 3VX | 0.8943 |
127 | 8W9 | 0.8942 |
128 | 7ME | 0.8941 |
129 | I6G | 0.8941 |
130 | P9I | 0.8940 |
131 | KLK | 0.8938 |
132 | JWS | 0.8938 |
133 | II4 | 0.8937 |
134 | ESI | 0.8937 |
135 | N2M | 0.8936 |
136 | BGU | 0.8936 |
137 | 5RO | 0.8935 |
138 | 9ZE | 0.8935 |
139 | 2O6 | 0.8933 |
140 | BPY | 0.8931 |
141 | FQX | 0.8929 |
142 | ZME | 0.8927 |
143 | 7FF | 0.8925 |
144 | 5V7 | 0.8920 |
145 | 9UL | 0.8918 |
146 | KTW | 0.8918 |
147 | MD6 | 0.8918 |
148 | 64C | 0.8915 |
149 | 3Y7 | 0.8913 |
150 | 27B | 0.8911 |
151 | BZE | 0.8910 |
152 | 582 | 0.8910 |
153 | YE7 | 0.8910 |
154 | 1HN | 0.8910 |
155 | 5VJ | 0.8908 |
156 | 4ME | 0.8907 |
157 | 8ZE | 0.8905 |
158 | XQK | 0.8903 |
159 | IL5 | 0.8901 |
160 | 8XL | 0.8900 |
161 | C2Y | 0.8900 |
162 | GJP | 0.8897 |
163 | 1VK | 0.8893 |
164 | 64E | 0.8892 |
165 | KDV | 0.8891 |
166 | 1F1 | 0.8891 |
167 | 8NX | 0.8890 |
168 | A1Y | 0.8890 |
169 | GO2 | 0.8888 |
170 | VXX | 0.8888 |
171 | 7B3 | 0.8887 |
172 | 9TF | 0.8884 |
173 | MNX | 0.8884 |
174 | KJU | 0.8884 |
175 | HQD | 0.8883 |
176 | N91 | 0.8882 |
177 | OA3 | 0.8878 |
178 | N2I | 0.8877 |
179 | AN3 | 0.8876 |
180 | TIY | 0.8872 |
181 | M4E | 0.8871 |
182 | 92P | 0.8871 |
183 | LL1 | 0.8869 |
184 | TQU | 0.8864 |
185 | K44 | 0.8862 |
186 | 1IT | 0.8862 |
187 | 96U | 0.8861 |
188 | 28N | 0.8860 |
189 | 2FQ | 0.8859 |
190 | SYA | 0.8858 |
191 | HNQ | 0.8856 |
192 | 0HO | 0.8855 |
193 | TNF | 0.8855 |
194 | 5OF | 0.8853 |
195 | 5WY | 0.8852 |
196 | XFE | 0.8849 |
197 | JF1 | 0.8846 |
198 | 8NB | 0.8845 |
199 | 1QV | 0.8845 |
200 | M5K | 0.8843 |
201 | 6NT | 0.8843 |
202 | Z5P | 0.8842 |
203 | VM1 | 0.8841 |
204 | HLD | 0.8841 |
205 | MIL | 0.8840 |
206 | AJY | 0.8840 |
207 | C9E | 0.8840 |
208 | IBM | 0.8838 |
209 | LEL | 0.8834 |
210 | 5GV | 0.8834 |
211 | DPZ | 0.8833 |
212 | MEW | 0.8833 |
213 | LI6 | 0.8831 |
214 | NLA | 0.8831 |
215 | 4I8 | 0.8830 |
216 | 9CA | 0.8829 |
217 | 9R5 | 0.8829 |
218 | ARP | 0.8826 |
219 | DNQ | 0.8826 |
220 | 6FB | 0.8825 |
221 | AJ1 | 0.8825 |
222 | PH2 | 0.8821 |
223 | 5F5 | 0.8820 |
224 | HRM | 0.8820 |
225 | AQO | 0.8818 |
226 | AJ2 | 0.8817 |
227 | 2LY | 0.8817 |
228 | 1QP | 0.8816 |
229 | PE0 | 0.8816 |
230 | DX3 | 0.8816 |
231 | 3NY | 0.8816 |
232 | EWG | 0.8815 |
233 | 6KT | 0.8814 |
234 | GI3 | 0.8814 |
235 | UAN | 0.8812 |
236 | CK2 | 0.8812 |
237 | M3F | 0.8812 |
238 | FDR | 0.8808 |
239 | M6N | 0.8807 |
240 | AH9 | 0.8806 |
241 | 0HN | 0.8806 |
242 | OAI | 0.8805 |
243 | BK9 | 0.8804 |
244 | 1KP | 0.8804 |
245 | 0N7 | 0.8804 |
246 | M1Q | 0.8804 |
247 | EYM | 0.8803 |
248 | E7S | 0.8801 |
249 | 4BL | 0.8800 |
250 | 67X | 0.8800 |
251 | EYA | 0.8799 |
252 | ITE | 0.8798 |
253 | K32 | 0.8798 |
254 | ICO | 0.8792 |
255 | X8D | 0.8792 |
256 | TXQ | 0.8792 |
257 | 9FL | 0.8791 |
258 | 1AJ | 0.8790 |
259 | IA2 | 0.8790 |
260 | M78 | 0.8790 |
261 | IAC | 0.8790 |
262 | M2K | 0.8789 |
263 | G1P | 0.8789 |
264 | IPT | 0.8783 |
265 | X0T | 0.8782 |
266 | EV2 | 0.8782 |
267 | MB1 | 0.8781 |
268 | APS | 0.8781 |
269 | 5GU | 0.8781 |
270 | 5NS | 0.8780 |
271 | FF2 | 0.8780 |
272 | LIP | 0.8778 |
273 | 6BL | 0.8777 |
274 | 2HU | 0.8776 |
275 | PJW | 0.8776 |
276 | BOQ | 0.8775 |
277 | K37 | 0.8775 |
278 | K22 | 0.8774 |
279 | HHR | 0.8774 |
280 | PD2 | 0.8774 |
281 | J9W | 0.8773 |
282 | JAW | 0.8771 |
283 | G6P | 0.8770 |
284 | ET0 | 0.8769 |
285 | EXD | 0.8767 |
286 | LZ2 | 0.8766 |
287 | 5NE | 0.8765 |
288 | CH9 | 0.8761 |
289 | LFN | 0.8759 |
290 | 9KT | 0.8756 |
291 | GI1 | 0.8754 |
292 | Y3L | 0.8753 |
293 | PMP | 0.8751 |
294 | CCV | 0.8750 |
295 | Q24 | 0.8747 |
296 | MRW | 0.8747 |
297 | JF2 | 0.8746 |
298 | 96R | 0.8746 |
299 | LFQ | 0.8745 |
300 | DIN | 0.8745 |
301 | 3R6 | 0.8745 |
302 | 1A7 | 0.8745 |
303 | QPR | 0.8745 |
304 | ZYQ | 0.8745 |
305 | 39Z | 0.8744 |
306 | MAJ | 0.8744 |
307 | 27M | 0.8742 |
308 | B62 | 0.8742 |
309 | 4BY | 0.8741 |
310 | 1FE | 0.8740 |
311 | 4AN | 0.8739 |
312 | 4TU | 0.8739 |
313 | YTX | 0.8739 |
314 | F31 | 0.8738 |
315 | IOS | 0.8738 |
316 | 2ZM | 0.8737 |
317 | 3R4 | 0.8735 |
318 | YE6 | 0.8735 |
319 | DXK | 0.8734 |
320 | VK3 | 0.8734 |
321 | VNL | 0.8733 |
322 | ESX | 0.8733 |
323 | 15E | 0.8733 |
324 | 78Y | 0.8732 |
325 | 6NI | 0.8732 |
326 | NPL | 0.8730 |
327 | JB8 | 0.8730 |
328 | LP8 | 0.8728 |
329 | X0U | 0.8728 |
330 | G12 | 0.8727 |
331 | 3A9 | 0.8727 |
332 | XHP | 0.8727 |
333 | I7A | 0.8726 |
334 | B4O | 0.8726 |
335 | 4NO | 0.8723 |
336 | W81 | 0.8721 |
337 | 5E5 | 0.8718 |
338 | TT4 | 0.8717 |
339 | N7I | 0.8715 |
340 | A7W | 0.8715 |
341 | NQ | 0.8713 |
342 | PDC | 0.8713 |
343 | ESP | 0.8709 |
344 | 4HC | 0.8709 |
345 | J38 | 0.8708 |
346 | AJV | 0.8707 |
347 | 465 | 0.8706 |
348 | 7VS | 0.8704 |
349 | EN1 | 0.8703 |
350 | AZ8 | 0.8703 |
351 | R20 | 0.8702 |
352 | DQU | 0.8701 |
353 | NID | 0.8701 |
354 | PQ0 | 0.8700 |
355 | DRL | 0.8699 |
356 | 8WT | 0.8697 |
357 | AH3 | 0.8695 |
358 | QX4 | 0.8692 |
359 | 55D | 0.8690 |
360 | B0K | 0.8690 |
361 | JDN | 0.8689 |
362 | RXA | 0.8687 |
363 | BEA | 0.8684 |
364 | 57D | 0.8684 |
365 | P83 | 0.8683 |
366 | ROI | 0.8683 |
367 | 3QV | 0.8683 |
368 | L22 | 0.8681 |
369 | FER | 0.8679 |
370 | 363 | 0.8678 |
371 | SU9 | 0.8677 |
372 | SYR | 0.8676 |
373 | 0GZ | 0.8671 |
374 | S0E | 0.8669 |
375 | EMO | 0.8668 |
376 | AC2 | 0.8667 |
377 | XAZ | 0.8667 |
378 | KUF | 0.8666 |
379 | M1H | 0.8665 |
380 | NBV | 0.8663 |
381 | EVO | 0.8662 |
382 | 44W | 0.8661 |
383 | 5RN | 0.8661 |
384 | 2HC | 0.8659 |
385 | OTW | 0.8658 |
386 | QQQ | 0.8658 |
387 | 7ZE | 0.8657 |
388 | YO5 | 0.8656 |
389 | CUT | 0.8654 |
390 | PRL | 0.8653 |
391 | XEZ | 0.8652 |
392 | KMY | 0.8652 |
393 | 18E | 0.8651 |
394 | AO6 | 0.8650 |
395 | FDB | 0.8649 |
396 | M0W | 0.8649 |
397 | 5NI | 0.8648 |
398 | URC | 0.8648 |
399 | ABI | 0.8647 |
400 | 0FO | 0.8644 |
401 | GSY | 0.8644 |
402 | 7MW | 0.8644 |
403 | 4B0 | 0.8642 |
404 | 64F | 0.8641 |
405 | 5XC | 0.8641 |
406 | RB2 | 0.8640 |
407 | L07 | 0.8636 |
408 | TR4 | 0.8635 |
409 | 44V | 0.8634 |
410 | 25O | 0.8633 |
411 | 6RQ | 0.8632 |
412 | 94W | 0.8629 |
413 | INE | 0.8628 |
414 | EY2 | 0.8627 |
415 | 5NN | 0.8623 |
416 | 5JQ | 0.8623 |
417 | AZ9 | 0.8622 |
418 | SYV | 0.8621 |
419 | 3WL | 0.8621 |
420 | CG8 | 0.8619 |
421 | MAQ | 0.8612 |
422 | NBG | 0.8611 |
423 | 2UD | 0.8610 |
424 | 2AK | 0.8609 |
425 | NGO | 0.8608 |
426 | B60 | 0.8607 |
427 | B23 | 0.8600 |
428 | 75K | 0.8600 |
429 | 39O | 0.8600 |
430 | 22L | 0.8599 |
431 | JY4 | 0.8599 |
432 | JRO | 0.8597 |
433 | TOF | 0.8597 |
434 | Z21 | 0.8597 |
435 | MVN | 0.8596 |
436 | ZSP | 0.8596 |
437 | U7E | 0.8593 |
438 | MXX | 0.8592 |
439 | DT7 | 0.8592 |
440 | 6DP | 0.8592 |
441 | 3ZB | 0.8589 |
442 | BQ2 | 0.8587 |
443 | 4V2 | 0.8586 |
444 | P4L | 0.8583 |
445 | 2WU | 0.8583 |
446 | N0Z | 0.8583 |
447 | 2KA | 0.8578 |
448 | COL | 0.8578 |
449 | MUR | 0.8574 |
450 | MUA | 0.8574 |
451 | HMD | 0.8572 |
452 | 5JL | 0.8570 |
453 | 4R1 | 0.8570 |
454 | ALR | 0.8569 |
455 | BQ5 | 0.8564 |
456 | 0FR | 0.8563 |
457 | VUP | 0.8560 |
458 | OTA | 0.8560 |
459 | 78P | 0.8557 |
460 | OPA | 0.8554 |
461 | YEX | 0.8550 |
462 | NDM | 0.8549 |
463 | RVE | 0.8540 |
464 | HPT | 0.8540 |
465 | BG6 | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 1pbq.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1pbq.bio2) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |