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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 7 families. | |||||
1 | 1M0S | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
2 | 3ENW | - | 5RP | C5 H11 O8 P | C([C@H]([C.... |
3 | 3ENV | - | ABF | C5 H11 O8 P | C([C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1UJ6 | Ki = 0.89 mM | A5P | C5 H13 O8 P | C([C@H]([C.... |
2 | 1UJ5 | Ki = 0.89 mM | 5RP | C5 H11 O8 P | C([C@H]([C.... |
3 | 1M0S | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
4 | 1LK7 | - | DER | C4 H9 O8 P | C([C@@H]([.... |
5 | 3ENW | - | 5RP | C5 H11 O8 P | C([C@H]([C.... |
6 | 3ENV | - | ABF | C5 H11 O8 P | C([C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | RP5 | 1 | 1 |
2 | ABF | 1 | 1 |
3 | HSX | 1 | 1 |
4 | BGP | 0.8 | 0.902439 |
5 | M6P | 0.8 | 0.902439 |
6 | G6P | 0.8 | 0.902439 |
7 | BG6 | 0.8 | 0.902439 |
8 | M6D | 0.8 | 0.902439 |
9 | A6P | 0.8 | 0.902439 |
10 | AHG | 0.676471 | 0.880952 |
11 | 4R1 | 0.634146 | 0.755102 |
12 | GLP | 0.634146 | 0.755102 |
13 | RF5 | 0.615385 | 0.883721 |
14 | 50A | 0.615385 | 0.883721 |
15 | GRF | 0.589744 | 0.76 |
16 | NNG | 0.565217 | 0.685185 |
17 | 4QY | 0.553191 | 0.685185 |
18 | 16G | 0.553191 | 0.685185 |
19 | BMX | 0.553191 | 0.685185 |
20 | FDQ | 0.547619 | 0.860465 |
21 | RI2 | 0.534884 | 0.95 |
22 | PRP | 0.5 | 0.975 |
23 | G16 | 0.5 | 0.860465 |
24 | D6G | 0.5 | 0.860465 |
25 | N | 0.47619 | 0.860465 |
26 | PPC | 0.469388 | 0.906977 |
27 | RIB | 0.441176 | 0.675 |
28 | FUB | 0.441176 | 0.675 |
29 | AHR | 0.441176 | 0.675 |
30 | BDR | 0.441176 | 0.675 |
31 | Z6J | 0.441176 | 0.675 |
32 | 32O | 0.441176 | 0.675 |
33 | IRN | 0.425926 | 0.606557 |
34 | QIF | 0.425532 | 0.860465 |
35 | FGR | 0.410714 | 0.655172 |
36 | TA6 | 0.404255 | 0.906977 |
37 | AHR AHR | 0.404255 | 0.690476 |
38 | F6P | 0.404255 | 0.906977 |
39 | BNX | 0.4 | 0.880952 |
40 | ALX | 0.4 | 0.880952 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 8U3 | 0.9478 |
2 | 5WN | 0.9399 |
3 | MP5 | 0.9318 |
4 | RP3 | 0.9301 |
5 | TZP | 0.9253 |
6 | 61M | 0.9253 |
7 | 1X4 | 0.9215 |
8 | QH3 | 0.9213 |
9 | ESX | 0.9212 |
10 | PLR | 0.9205 |
11 | BZ2 | 0.9199 |
12 | YF3 | 0.9191 |
13 | Q03 | 0.9187 |
14 | P80 | 0.9180 |
15 | EVF | 0.9179 |
16 | 2JJ | 0.9179 |
17 | SG2 | 0.9177 |
18 | PLP | 0.9165 |
19 | 0HN | 0.9146 |
20 | 6DP | 0.9145 |
21 | DHY | 0.9135 |
22 | ESP | 0.9132 |
23 | 1F1 | 0.9129 |
24 | PMP | 0.9128 |
25 | GO8 | 0.9124 |
26 | QBM | 0.9120 |
27 | 4BY | 0.9117 |
28 | E4P | 0.9116 |
29 | ITW | 0.9107 |
30 | MES | 0.9104 |
31 | JAW | 0.9103 |
32 | P7Y | 0.9095 |
33 | HJH | 0.9094 |
34 | YTX | 0.9092 |
35 | A5P | 0.9090 |
36 | IOS | 0.9089 |
37 | 0HO | 0.9087 |
38 | MMS | 0.9084 |
39 | 36E | 0.9083 |
40 | 2ZM | 0.9073 |
41 | GWM | 0.9073 |
42 | 6NT | 0.9062 |
43 | 4Z9 | 0.9060 |
44 | 9BF | 0.9050 |
45 | 5RP | 0.9043 |
46 | B41 | 0.9042 |
47 | TU0 | 0.9039 |
48 | MD6 | 0.9038 |
49 | 6KT | 0.9037 |
50 | GFP | 0.9034 |
51 | 14W | 0.9033 |
52 | TZM | 0.9032 |
53 | F06 | 0.9031 |
54 | ALE | 0.9031 |
55 | JDN | 0.9030 |
56 | DHC | 0.9030 |
57 | 6Q3 | 0.9027 |
58 | IOP | 0.9026 |
59 | DAH | 0.9025 |
60 | STT | 0.9025 |
61 | YOF | 0.9020 |
62 | F98 | 0.9020 |
63 | TSR | 0.9015 |
64 | BL0 | 0.9015 |
65 | CXH | 0.9014 |
66 | R5P | 0.9014 |
67 | F52 | 0.9013 |
68 | L21 | 0.9013 |
69 | 3C4 | 0.9010 |
70 | 15N | 0.9010 |
71 | EXD | 0.9007 |
72 | SBK | 0.9006 |
73 | XIZ | 0.9005 |
74 | 3NY | 0.9005 |
75 | CXP | 0.9004 |
76 | XRS | 0.8996 |
77 | 3IL | 0.8994 |
78 | 3HP | 0.8994 |
79 | ABI | 0.8992 |
80 | B85 | 0.8992 |
81 | NQH | 0.8991 |
82 | 3A9 | 0.8990 |
83 | V1T | 0.8984 |
84 | R2P | 0.8983 |
85 | MAJ | 0.8983 |
86 | TCA | 0.8978 |
87 | X1P | 0.8976 |
88 | AX3 | 0.8976 |
89 | FF2 | 0.8975 |
90 | 6FZ | 0.8975 |
91 | DTR | 0.8974 |
92 | KYN | 0.8973 |
93 | 263 | 0.8972 |
94 | CMU | 0.8971 |
95 | 2HC | 0.8969 |
96 | 2O6 | 0.8967 |
97 | 3LJ | 0.8963 |
98 | ZON | 0.8963 |
99 | 4I8 | 0.8963 |
100 | FWD | 0.8962 |
101 | 6HP | 0.8961 |
102 | TOH | 0.8958 |
103 | 9F8 | 0.8955 |
104 | CWD | 0.8955 |
105 | MXD | 0.8953 |
106 | 363 | 0.8951 |
107 | QUS | 0.8950 |
108 | SKF | 0.8949 |
109 | R20 | 0.8949 |
110 | 1PS | 0.8948 |
111 | TYL | 0.8947 |
112 | BRH | 0.8945 |
113 | F1P | 0.8943 |
114 | KTW | 0.8942 |
115 | LTN | 0.8942 |
116 | QMS | 0.8939 |
117 | PXP | 0.8938 |
118 | N7I | 0.8938 |
119 | XQI | 0.8934 |
120 | SYC | 0.8933 |
121 | 3PG | 0.8933 |
122 | FK8 | 0.8931 |
123 | ARG | 0.8931 |
124 | SEP | 0.8930 |
125 | SYE | 0.8929 |
126 | GZ2 | 0.8928 |
127 | 2LT | 0.8928 |
128 | KPA | 0.8927 |
129 | PZP | 0.8927 |
130 | XCG | 0.8923 |
131 | S0W | 0.8922 |
132 | N2M | 0.8920 |
133 | N9J | 0.8919 |
134 | IYR | 0.8919 |
135 | PO6 | 0.8918 |
136 | TRP | 0.8918 |
137 | XRX | 0.8917 |
138 | 0W1 | 0.8913 |
139 | HC4 | 0.8913 |
140 | NAG | 0.8912 |
141 | BWD | 0.8910 |
142 | EUE | 0.8908 |
143 | 7ZL | 0.8907 |
144 | HL4 | 0.8904 |
145 | 6J5 | 0.8903 |
146 | P9E | 0.8903 |
147 | P81 | 0.8902 |
148 | A5E | 0.8902 |
149 | FOM | 0.8901 |
150 | TYR | 0.8900 |
151 | TB8 | 0.8900 |
152 | TMG | 0.8899 |
153 | I2E | 0.8894 |
154 | ICB | 0.8894 |
155 | HMS | 0.8893 |
156 | J0Z | 0.8893 |
157 | ZEC | 0.8892 |
158 | D5X | 0.8892 |
159 | PPY | 0.8889 |
160 | MSR | 0.8889 |
161 | ESI | 0.8888 |
162 | 9W5 | 0.8887 |
163 | LDP | 0.8885 |
164 | PHE | 0.8884 |
165 | SAF | 0.8882 |
166 | CFA | 0.8881 |
167 | PBA | 0.8881 |
168 | DTY | 0.8880 |
169 | 1BN | 0.8879 |
170 | L22 | 0.8879 |
171 | JOV | 0.8878 |
172 | DER | 0.8878 |
173 | 88L | 0.8878 |
174 | MQB | 0.8877 |
175 | M5E | 0.8876 |
176 | TYE | 0.8874 |
177 | 428 | 0.8874 |
178 | M3Q | 0.8873 |
179 | G1P | 0.8872 |
180 | AMQ | 0.8869 |
181 | XDK | 0.8869 |
182 | 1FD | 0.8867 |
183 | F1X | 0.8867 |
184 | LIP | 0.8861 |
185 | HA5 | 0.8861 |
186 | EGR | 0.8860 |
187 | CLU | 0.8860 |
188 | DEZ | 0.8859 |
189 | 4NS | 0.8858 |
190 | SHI | 0.8857 |
191 | NPA | 0.8855 |
192 | HCI | 0.8854 |
193 | HPS | 0.8854 |
194 | AOT | 0.8854 |
195 | 5OO | 0.8853 |
196 | ENO | 0.8853 |
197 | 4HP | 0.8853 |
198 | GNW | 0.8853 |
199 | SG3 | 0.8853 |
200 | M6H | 0.8852 |
201 | 0QW | 0.8852 |
202 | EN1 | 0.8851 |
203 | IAC | 0.8850 |
204 | S0E | 0.8849 |
205 | NVU | 0.8849 |
206 | 6HO | 0.8849 |
207 | EYV | 0.8848 |
208 | AAN | 0.8848 |
209 | DPN | 0.8848 |
210 | GO2 | 0.8846 |
211 | 1L5 | 0.8846 |
212 | BNL | 0.8844 |
213 | ARP | 0.8844 |
214 | 8HC | 0.8844 |
215 | HPP | 0.8843 |
216 | PMF | 0.8843 |
217 | OMD | 0.8842 |
218 | OSE | 0.8842 |
219 | RES | 0.8841 |
220 | 8W9 | 0.8840 |
221 | UN1 | 0.8839 |
222 | PPT | 0.8839 |
223 | AHC | 0.8839 |
224 | NFA | 0.8838 |
225 | AEH | 0.8837 |
226 | LNR | 0.8834 |
227 | 657 | 0.8833 |
228 | 0FK | 0.8832 |
229 | CLT | 0.8832 |
230 | HFA | 0.8831 |
231 | GJK | 0.8830 |
232 | 0JD | 0.8829 |
233 | 1QV | 0.8828 |
234 | C82 | 0.8828 |
235 | PFF | 0.8827 |
236 | AMR | 0.8826 |
237 | 4XF | 0.8826 |
238 | CIY | 0.8824 |
239 | 68A | 0.8824 |
240 | OOG | 0.8823 |
241 | 4OG | 0.8822 |
242 | EOL | 0.8822 |
243 | HIC | 0.8820 |
244 | 12T | 0.8819 |
245 | SNU | 0.8818 |
246 | 2FX | 0.8817 |
247 | MPV | 0.8816 |
248 | HWD | 0.8812 |
249 | YIE | 0.8811 |
250 | HQ9 | 0.8811 |
251 | F90 | 0.8809 |
252 | ASC | 0.8809 |
253 | SDF | 0.8805 |
254 | TOM | 0.8802 |
255 | MF3 | 0.8802 |
256 | UA5 | 0.8801 |
257 | A29 | 0.8801 |
258 | DI6 | 0.8800 |
259 | FUZ | 0.8798 |
260 | P58 | 0.8796 |
261 | TYC | 0.8796 |
262 | PMV | 0.8795 |
263 | HHH | 0.8794 |
264 | AZM | 0.8794 |
265 | 8NB | 0.8793 |
266 | 57O | 0.8792 |
267 | IPD | 0.8791 |
268 | BZE | 0.8790 |
269 | 42J | 0.8790 |
270 | LSQ | 0.8787 |
271 | 6J9 | 0.8784 |
272 | H7Y | 0.8784 |
273 | HPT | 0.8783 |
274 | 33S | 0.8782 |
275 | NFM | 0.8781 |
276 | AKG | 0.8781 |
277 | M1Z | 0.8780 |
278 | R1P | 0.8779 |
279 | FER | 0.8779 |
280 | 5NI | 0.8779 |
281 | Q9Z | 0.8777 |
282 | APS | 0.8775 |
283 | 4TP | 0.8774 |
284 | IL5 | 0.8772 |
285 | MNP | 0.8770 |
286 | 1VQ | 0.8768 |
287 | JF1 | 0.8768 |
288 | 2FM | 0.8767 |
289 | 8XL | 0.8766 |
290 | 4LW | 0.8764 |
291 | 3VX | 0.8764 |
292 | DXP | 0.8758 |
293 | ZME | 0.8757 |
294 | LX1 | 0.8757 |
295 | 9YT | 0.8756 |
296 | SLY | 0.8756 |
297 | S7A | 0.8755 |
298 | TL6 | 0.8755 |
299 | RLG | 0.8754 |
300 | AEG | 0.8754 |
301 | X48 | 0.8753 |
302 | YO5 | 0.8752 |
303 | 4XS | 0.8752 |
304 | BPY | 0.8751 |
305 | 9ZE | 0.8750 |
306 | 1A7 | 0.8750 |
307 | O45 | 0.8749 |
308 | 4BF | 0.8748 |
309 | MPK | 0.8747 |
310 | 2K8 | 0.8745 |
311 | GLU | 0.8744 |
312 | M5H | 0.8743 |
313 | 8NX | 0.8739 |
314 | EXG | 0.8737 |
315 | 78U | 0.8735 |
316 | ZIQ | 0.8733 |
317 | 7MX | 0.8733 |
318 | API | 0.8732 |
319 | PHI | 0.8732 |
320 | YPN | 0.8731 |
321 | CH8 | 0.8730 |
322 | FPL | 0.8729 |
323 | XYH | 0.8729 |
324 | EYJ | 0.8728 |
325 | 9PL | 0.8728 |
326 | PRA | 0.8727 |
327 | S24 | 0.8727 |
328 | EV0 | 0.8727 |
329 | N91 | 0.8725 |
330 | 4MB | 0.8725 |
331 | 92K | 0.8724 |
332 | MJ5 | 0.8722 |
333 | LVD | 0.8722 |
334 | EQW | 0.8721 |
335 | HXY | 0.8721 |
336 | C53 | 0.8720 |
337 | R52 | 0.8720 |
338 | S2P | 0.8719 |
339 | PH3 | 0.8718 |
340 | 6TZ | 0.8718 |
341 | 4XV | 0.8718 |
342 | BP7 | 0.8718 |
343 | BNF | 0.8716 |
344 | ISA | 0.8715 |
345 | PQT | 0.8714 |
346 | K7M | 0.8713 |
347 | JZA | 0.8712 |
348 | LL1 | 0.8712 |
349 | ZYR | 0.8712 |
350 | 9FE | 0.8709 |
351 | X04 | 0.8707 |
352 | DNF | 0.8706 |
353 | B2J | 0.8706 |
354 | 3LR | 0.8705 |
355 | NNH | 0.8704 |
356 | 4WF | 0.8704 |
357 | 7I2 | 0.8704 |
358 | 5OF | 0.8703 |
359 | 56D | 0.8702 |
360 | 9UL | 0.8702 |
361 | URO | 0.8702 |
362 | 505 | 0.8698 |
363 | SLS | 0.8696 |
364 | 790 | 0.8692 |
365 | E1T | 0.8692 |
366 | NOK | 0.8691 |
367 | 5LD | 0.8689 |
368 | VXX | 0.8689 |
369 | PCS | 0.8688 |
370 | NPL | 0.8688 |
371 | 8ZE | 0.8686 |
372 | 5TY | 0.8686 |
373 | AHN | 0.8686 |
374 | CTE | 0.8683 |
375 | JND | 0.8682 |
376 | 8WT | 0.8680 |
377 | 3IB | 0.8678 |
378 | 3YP | 0.8677 |
379 | MHO | 0.8677 |
380 | THM | 0.8676 |
381 | CH9 | 0.8675 |
382 | DHM | 0.8675 |
383 | HPV | 0.8674 |
384 | F6R | 0.8674 |
385 | ZYQ | 0.8673 |
386 | 5SP | 0.8672 |
387 | TLM | 0.8670 |
388 | LJ3 | 0.8668 |
389 | N8Y | 0.8668 |
390 | ATX | 0.8664 |
391 | ZEA | 0.8664 |
392 | 4V2 | 0.8664 |
393 | 1VK | 0.8663 |
394 | FHC | 0.8663 |
395 | 4LV | 0.8662 |
396 | 0A9 | 0.8661 |
397 | B40 | 0.8660 |
398 | HJ8 | 0.8659 |
399 | SSC | 0.8658 |
400 | 92P | 0.8657 |
401 | FF3 | 0.8655 |
402 | JRB | 0.8654 |
403 | 268 | 0.8651 |
404 | UFV | 0.8650 |
405 | 36M | 0.8649 |
406 | DIR | 0.8648 |
407 | 4FE | 0.8647 |
408 | QMP | 0.8647 |
409 | YZM | 0.8646 |
410 | M78 | 0.8645 |
411 | 3EB | 0.8644 |
412 | S8V | 0.8643 |
413 | KYA | 0.8643 |
414 | P0P | 0.8643 |
415 | R9J | 0.8642 |
416 | KTA | 0.8641 |
417 | 9KH | 0.8640 |
418 | I4D | 0.8640 |
419 | 3B4 | 0.8639 |
420 | 3D1 | 0.8638 |
421 | 6ZX | 0.8637 |
422 | BB4 | 0.8637 |
423 | HA6 | 0.8637 |
424 | 27B | 0.8635 |
425 | J9Y | 0.8629 |
426 | 3QO | 0.8627 |
427 | HHI | 0.8627 |
428 | RKV | 0.8625 |
429 | PNP | 0.8623 |
430 | ANC | 0.8622 |
431 | CS2 | 0.8622 |
432 | Q04 | 0.8617 |
433 | NLA | 0.8616 |
434 | RCV | 0.8615 |
435 | LJ4 | 0.8614 |
436 | GCO | 0.8613 |
437 | AS3 | 0.8613 |
438 | EQA | 0.8613 |
439 | MOK | 0.8612 |
440 | M3E | 0.8611 |
441 | 1Z6 | 0.8611 |
442 | NCT | 0.8610 |
443 | UFO | 0.8609 |
444 | FTV | 0.8604 |
445 | B3U | 0.8603 |
446 | B21 | 0.8601 |
447 | R9Y | 0.8599 |
448 | HBI | 0.8599 |
449 | ONL | 0.8598 |
450 | DCZ | 0.8597 |
451 | GRX | 0.8596 |
452 | GDE | 0.8596 |
453 | Y4L | 0.8595 |
454 | RVE | 0.8594 |
455 | N1E | 0.8593 |
456 | 3CR | 0.8593 |
457 | CIR | 0.8591 |
458 | 7R4 | 0.8590 |
459 | AY4 | 0.8590 |
460 | 4FP | 0.8589 |
461 | B86 | 0.8589 |
462 | 2HU | 0.8589 |
463 | DAR | 0.8587 |
464 | HBO | 0.8583 |
465 | DLT | 0.8582 |
466 | TMC | 0.8582 |
467 | NYL | 0.8581 |
468 | RUJ | 0.8581 |
469 | EUH | 0.8580 |
470 | 3VW | 0.8578 |
471 | C2Y | 0.8577 |
472 | JP2 | 0.8577 |
473 | PRZ | 0.8576 |
474 | F34 | 0.8576 |
475 | HNL | 0.8575 |
476 | REL | 0.8569 |
477 | K3Q | 0.8569 |
478 | FCD | 0.8568 |
479 | 54F | 0.8568 |
480 | 3Y7 | 0.8563 |
481 | KTJ | 0.8560 |
482 | ONH | 0.8559 |
483 | 9VQ | 0.8557 |
484 | 2IT | 0.8556 |
485 | M74 | 0.8554 |
486 | 5NS | 0.8554 |
487 | S2G | 0.8551 |
488 | 0DN | 0.8550 |
489 | EMZ | 0.8550 |
490 | VM1 | 0.8546 |
491 | SRO | 0.8546 |
492 | S8D | 0.8545 |
493 | TSS | 0.8545 |
494 | M4E | 0.8541 |
495 | BVA | 0.8540 |
496 | HX8 | 0.8539 |
497 | N2Y | 0.8539 |
498 | SOL | 0.8537 |
499 | 50C | 0.8536 |
500 | LEL | 0.8535 |
501 | HLP | 0.8532 |
502 | H4B | 0.8532 |
503 | DUR | 0.8531 |
504 | 6C5 | 0.8527 |
505 | 264 | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 3env.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3env.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |