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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 2 families. | |||||
1 | 1AFQ | - | 0FG | C22 H28 F N3 O2 | CC(C)C[C@H.... |
2 | 1GHB | - | PRO GLY ALA | n/a | n/a |
3 | 6CHA | Ki = 40 uM | PBA | C8 H11 B O2 | B(CCc1cccc.... |
4 | 2P8O | Ki = 16 uM | BVA | C7 H9 N O5 V | c1ccc(cc1).... |
5 | 1GHA | - | PRO GLY VAL TYR | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1AFQ | - | 0FG | C22 H28 F N3 O2 | CC(C)C[C@H.... |
2 | 1GHB | - | PRO GLY ALA | n/a | n/a |
3 | 6CHA | Ki = 40 uM | PBA | C8 H11 B O2 | B(CCc1cccc.... |
4 | 2P8O | Ki = 16 uM | BVA | C7 H9 N O5 V | c1ccc(cc1).... |
5 | 1GHA | - | PRO GLY VAL TYR | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BVA | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PUE | 0.9337 |
2 | 0NX | 0.9245 |
3 | F4K | 0.9245 |
4 | E3X | 0.9222 |
5 | HX4 | 0.9214 |
6 | 3VW | 0.9204 |
7 | RA7 | 0.9199 |
8 | JAH | 0.9197 |
9 | CPZ | 0.9181 |
10 | A5E | 0.9176 |
11 | 36Y | 0.9172 |
12 | C53 | 0.9170 |
13 | X0U | 0.9170 |
14 | MSR | 0.9166 |
15 | 795 | 0.9163 |
16 | EVF | 0.9157 |
17 | 4XF | 0.9148 |
18 | 1PS | 0.9145 |
19 | GVY | 0.9141 |
20 | SNU | 0.9138 |
21 | 0BP | 0.9134 |
22 | 1Z6 | 0.9120 |
23 | 2QC | 0.9111 |
24 | SWX | 0.9105 |
25 | PPY | 0.9102 |
26 | 4LW | 0.9090 |
27 | X48 | 0.9089 |
28 | 3VQ | 0.9080 |
29 | TZF | 0.9076 |
30 | SKF | 0.9073 |
31 | 92G | 0.9072 |
32 | HL4 | 0.9069 |
33 | ZEC | 0.9069 |
34 | EN1 | 0.9066 |
35 | XCG | 0.9060 |
36 | 4MB | 0.9055 |
37 | D2G | 0.9047 |
38 | 428 | 0.9045 |
39 | 1L5 | 0.9045 |
40 | BP7 | 0.9044 |
41 | FZM | 0.9038 |
42 | D8Q | 0.9037 |
43 | 4HB | 0.9031 |
44 | 5LA | 0.9030 |
45 | J9N | 0.9027 |
46 | 492 | 0.9009 |
47 | ODK | 0.9008 |
48 | 5TT | 0.9008 |
49 | KYN | 0.9006 |
50 | 36E | 0.9005 |
51 | GO2 | 0.9004 |
52 | F4E | 0.9003 |
53 | KTJ | 0.9001 |
54 | 7VP | 0.8997 |
55 | LVD | 0.8997 |
56 | K7H | 0.8994 |
57 | 6FB | 0.8993 |
58 | EUE | 0.8992 |
59 | 3R4 | 0.8991 |
60 | D3G | 0.8988 |
61 | 4V2 | 0.8986 |
62 | GOE | 0.8982 |
63 | 4LV | 0.8982 |
64 | TMG | 0.8980 |
65 | 3VS | 0.8980 |
66 | BNL | 0.8980 |
67 | E7S | 0.8976 |
68 | G14 | 0.8974 |
69 | B1J | 0.8973 |
70 | 9BF | 0.8972 |
71 | 5DL | 0.8969 |
72 | HIC | 0.8965 |
73 | N4E | 0.8962 |
74 | KMY | 0.8959 |
75 | 4NZ | 0.8958 |
76 | L15 | 0.8956 |
77 | 2D2 | 0.8955 |
78 | ICB | 0.8952 |
79 | LGT | 0.8952 |
80 | IWT | 0.8950 |
81 | 15N | 0.8949 |
82 | 7O4 | 0.8948 |
83 | LO1 | 0.8940 |
84 | 80G | 0.8938 |
85 | AM4 | 0.8936 |
86 | ZZA | 0.8936 |
87 | TYR | 0.8936 |
88 | J6W | 0.8932 |
89 | BZJ | 0.8930 |
90 | A5H | 0.8929 |
91 | XDK | 0.8926 |
92 | MAJ | 0.8923 |
93 | 6FZ | 0.8923 |
94 | OQC | 0.8923 |
95 | ALE | 0.8922 |
96 | XDE | 0.8922 |
97 | 4BY | 0.8921 |
98 | CH9 | 0.8919 |
99 | RNO | 0.8919 |
100 | TYL | 0.8915 |
101 | MPV | 0.8915 |
102 | GO8 | 0.8915 |
103 | EXD | 0.8913 |
104 | 363 | 0.8907 |
105 | UNJ | 0.8905 |
106 | 5GT | 0.8903 |
107 | ENO | 0.8903 |
108 | S7J | 0.8902 |
109 | 78Y | 0.8902 |
110 | AN3 | 0.8902 |
111 | Q04 | 0.8900 |
112 | L03 | 0.8900 |
113 | 3AE | 0.8897 |
114 | S0E | 0.8896 |
115 | AZM | 0.8896 |
116 | KLS | 0.8895 |
117 | NFA | 0.8894 |
118 | 3ZB | 0.8892 |
119 | K4V | 0.8892 |
120 | AOT | 0.8892 |
121 | TIH | 0.8892 |
122 | SNO | 0.8891 |
123 | 4CM | 0.8889 |
124 | 4NS | 0.8889 |
125 | P81 | 0.8886 |
126 | 27K | 0.8886 |
127 | N2M | 0.8886 |
128 | H4B | 0.8885 |
129 | 4RU | 0.8883 |
130 | P9E | 0.8882 |
131 | FBF | 0.8882 |
132 | EYV | 0.8880 |
133 | PJW | 0.8879 |
134 | HC4 | 0.8879 |
135 | PIY | 0.8878 |
136 | FMQ | 0.8878 |
137 | 9ZE | 0.8874 |
138 | 2BX | 0.8874 |
139 | KLE | 0.8872 |
140 | JMG | 0.8871 |
141 | N1E | 0.8870 |
142 | 7MW | 0.8868 |
143 | R2P | 0.8863 |
144 | LR8 | 0.8863 |
145 | TCA | 0.8861 |
146 | D1G | 0.8861 |
147 | JBZ | 0.8861 |
148 | 6SD | 0.8860 |
149 | QBP | 0.8860 |
150 | 27B | 0.8860 |
151 | 6NI | 0.8858 |
152 | L22 | 0.8858 |
153 | Q06 | 0.8857 |
154 | RKV | 0.8855 |
155 | BZE | 0.8855 |
156 | 2FX | 0.8852 |
157 | 4BL | 0.8851 |
158 | NK5 | 0.8850 |
159 | LZ5 | 0.8850 |
160 | X6W | 0.8849 |
161 | A5Q | 0.8849 |
162 | I3E | 0.8848 |
163 | L14 | 0.8847 |
164 | GJP | 0.8846 |
165 | BZ2 | 0.8846 |
166 | 4AB | 0.8844 |
167 | 1A7 | 0.8844 |
168 | 9R5 | 0.8843 |
169 | GF4 | 0.8839 |
170 | PO6 | 0.8831 |
171 | 50C | 0.8830 |
172 | A7H | 0.8827 |
173 | QMR | 0.8826 |
174 | PIM | 0.8824 |
175 | FHC | 0.8821 |
176 | ITE | 0.8819 |
177 | 4I8 | 0.8819 |
178 | 9CA | 0.8816 |
179 | TRP | 0.8811 |
180 | HJ7 | 0.8811 |
181 | IAC | 0.8810 |
182 | HIS | 0.8809 |
183 | 4FF | 0.8809 |
184 | HNT | 0.8809 |
185 | R9J | 0.8809 |
186 | VC3 | 0.8807 |
187 | HRM | 0.8807 |
188 | 2JJ | 0.8800 |
189 | FF2 | 0.8799 |
190 | 6KT | 0.8796 |
191 | HCI | 0.8796 |
192 | N9J | 0.8796 |
193 | BPY | 0.8796 |
194 | QIV | 0.8793 |
195 | 56D | 0.8788 |
196 | BSA | 0.8787 |
197 | JA5 | 0.8786 |
198 | GAE | 0.8785 |
199 | YZM | 0.8785 |
200 | 94W | 0.8784 |
201 | HBO | 0.8783 |
202 | PNZ | 0.8782 |
203 | 6P3 | 0.8780 |
204 | 8D6 | 0.8776 |
205 | DEZ | 0.8772 |
206 | DHC | 0.8768 |
207 | 0JD | 0.8767 |
208 | I2E | 0.8766 |
209 | HNL | 0.8765 |
210 | 6J5 | 0.8763 |
211 | 8ZE | 0.8763 |
212 | CK2 | 0.8760 |
213 | 9FL | 0.8758 |
214 | 15E | 0.8756 |
215 | SLS | 0.8756 |
216 | GCO | 0.8755 |
217 | P80 | 0.8754 |
218 | 6QF | 0.8752 |
219 | PBA | 0.8752 |
220 | PHE | 0.8750 |
221 | 3VX | 0.8748 |
222 | GVG | 0.8745 |
223 | 5H6 | 0.8744 |
224 | D9Z | 0.8743 |
225 | S0D | 0.8742 |
226 | PH3 | 0.8741 |
227 | 2HC | 0.8741 |
228 | L5V | 0.8738 |
229 | XIZ | 0.8737 |
230 | M3H | 0.8736 |
231 | 6MW | 0.8736 |
232 | N91 | 0.8734 |
233 | FCD | 0.8734 |
234 | HNH | 0.8733 |
235 | PQS | 0.8733 |
236 | ESX | 0.8733 |
237 | S7D | 0.8732 |
238 | 5NI | 0.8731 |
239 | 549 | 0.8731 |
240 | 1IT | 0.8730 |
241 | EV2 | 0.8730 |
242 | QMP | 0.8724 |
243 | BPN | 0.8723 |
244 | JG8 | 0.8722 |
245 | DER | 0.8721 |
246 | DPN | 0.8721 |
247 | 2O6 | 0.8720 |
248 | ESP | 0.8720 |
249 | R20 | 0.8720 |
250 | 1F1 | 0.8719 |
251 | Y3L | 0.8718 |
252 | IOS | 0.8718 |
253 | TZP | 0.8717 |
254 | 4WL | 0.8711 |
255 | XRS | 0.8709 |
256 | HQJ | 0.8708 |
257 | DE5 | 0.8705 |
258 | HDH | 0.8703 |
259 | DZA | 0.8702 |
260 | 9FH | 0.8701 |
261 | MXD | 0.8700 |
262 | ANC | 0.8698 |
263 | FDR | 0.8698 |
264 | AKG | 0.8696 |
265 | HBI | 0.8695 |
266 | 3XH | 0.8694 |
267 | M45 | 0.8692 |
268 | 0SY | 0.8692 |
269 | NCT | 0.8692 |
270 | 2PK | 0.8690 |
271 | SSC | 0.8688 |
272 | PQM | 0.8687 |
273 | 8XL | 0.8687 |
274 | BTM | 0.8686 |
275 | 61M | 0.8686 |
276 | M4N | 0.8684 |
277 | E5X | 0.8682 |
278 | RUY | 0.8681 |
279 | 97T | 0.8679 |
280 | H2B | 0.8678 |
281 | TJM | 0.8673 |
282 | 5GV | 0.8673 |
283 | CSN | 0.8669 |
284 | BGU | 0.8667 |
285 | ZYR | 0.8664 |
286 | 4ZA | 0.8664 |
287 | TT4 | 0.8663 |
288 | 68A | 0.8661 |
289 | 4BZ | 0.8659 |
290 | ANN | 0.8658 |
291 | DAH | 0.8657 |
292 | LJ3 | 0.8654 |
293 | 68B | 0.8653 |
294 | DBS | 0.8652 |
295 | A5P | 0.8651 |
296 | 1VK | 0.8648 |
297 | PRL | 0.8646 |
298 | 4YO | 0.8646 |
299 | M78 | 0.8644 |
300 | JRB | 0.8644 |
301 | 4P5 | 0.8641 |
302 | FCW | 0.8641 |
303 | RP3 | 0.8641 |
304 | 6TZ | 0.8639 |
305 | 6NT | 0.8636 |
306 | SJK | 0.8635 |
307 | HPS | 0.8634 |
308 | N2I | 0.8633 |
309 | LQ2 | 0.8632 |
310 | 1M2 | 0.8631 |
311 | DRG | 0.8630 |
312 | 152 | 0.8630 |
313 | 0HN | 0.8630 |
314 | 52C | 0.8628 |
315 | CC5 | 0.8627 |
316 | HSO | 0.8627 |
317 | 4NM | 0.8625 |
318 | R9Y | 0.8622 |
319 | E1T | 0.8620 |
320 | J9Q | 0.8619 |
321 | ZHA | 0.8619 |
322 | 4JQ | 0.8619 |
323 | PFF | 0.8618 |
324 | K34 | 0.8617 |
325 | ESI | 0.8616 |
326 | A29 | 0.8614 |
327 | HFA | 0.8614 |
328 | 2J1 | 0.8611 |
329 | NAG | 0.8610 |
330 | 2PV | 0.8610 |
331 | KDV | 0.8610 |
332 | AHN | 0.8609 |
333 | KTW | 0.8608 |
334 | QME | 0.8607 |
335 | 5AD | 0.8605 |
336 | 54E | 0.8601 |
337 | 4FP | 0.8598 |
338 | YE6 | 0.8597 |
339 | L1T | 0.8595 |
340 | SEP | 0.8594 |
341 | E79 | 0.8594 |
342 | YZ9 | 0.8591 |
343 | SRO | 0.8590 |
344 | IS2 | 0.8590 |
345 | S60 | 0.8590 |
346 | Q02 | 0.8586 |
347 | 5TY | 0.8583 |
348 | K97 | 0.8583 |
349 | 5QY | 0.8582 |
350 | HG3 | 0.8581 |
351 | 3PG | 0.8581 |
352 | 3QV | 0.8580 |
353 | DTY | 0.8577 |
354 | JCZ | 0.8577 |
355 | 0UL | 0.8577 |
356 | 4BF | 0.8571 |
357 | BHS | 0.8570 |
358 | TU0 | 0.8564 |
359 | 0HO | 0.8560 |
360 | 5RP | 0.8558 |
361 | 4NB | 0.8558 |
362 | MQN | 0.8554 |
363 | THA | 0.8553 |
364 | E4P | 0.8551 |
365 | MD6 | 0.8551 |
366 | YIP | 0.8550 |
367 | CTE | 0.8549 |
368 | 0ON | 0.8543 |
369 | 535 | 0.8542 |
370 | ABF | 0.8540 |
371 | AWE | 0.8539 |
372 | P7V | 0.8536 |
373 | HA5 | 0.8535 |
374 | DDU | 0.8534 |
375 | TCR | 0.8522 |
376 | 3A9 | 0.8519 |
377 | JND | 0.8518 |
378 | AES | 0.8514 |
379 | BIO | 0.8510 |
This union binding pocket(no: 1) in the query (biounit: 2p8o.bio3) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2p8o.bio2) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1OSS | BEN | 49.4845 |
This union binding pocket(no: 3) in the query (biounit: 2p8o.bio2) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2p8o.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1OSS | BEN | 49.4845 |