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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 1331 families. | |||||
1 | 5J89 | - | 6GX | C25 H29 N3 O3 | Cc1c(cccc1.... |
2 | 5N2D | ic50 ~ 50 uM | 8J8 | C27 H32 N2 O4 | Cc1c(cccc1.... |
3 | 6NOJ | - | KW7 | C12 H11 F N2 O2 | COC(=O)c1c.... |
4 | 5NIU | - | 8YZ | C35 H34 N2 O7 | Cc1cc(c(cc.... |
5 | 5J8O | - | 6GZ | C27 H28 Br N O3 | Cc1c(cccc1.... |
6 | 6NM7 | - | 22L | C12 H8 N2 O S | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 5J89 | - | 6GX | C25 H29 N3 O3 | Cc1c(cccc1.... |
2 | 5N2D | ic50 ~ 50 uM | 8J8 | C27 H32 N2 O4 | Cc1c(cccc1.... |
3 | 6NOJ | - | KW7 | C12 H11 F N2 O2 | COC(=O)c1c.... |
4 | 5NIU | - | 8YZ | C35 H34 N2 O7 | Cc1cc(c(cc.... |
5 | 5J8O | - | 6GZ | C27 H28 Br N O3 | Cc1c(cccc1.... |
6 | 6NM7 | - | 22L | C12 H8 N2 O S | c1ccc(cc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | KW7 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 9FH | 0.9619 |
2 | J84 | 0.9560 |
3 | M4N | 0.9516 |
4 | 5C1 | 0.9510 |
5 | G14 | 0.9440 |
6 | EF2 | 0.9428 |
7 | 8D6 | 0.9419 |
8 | 6EL | 0.9413 |
9 | 26C | 0.9388 |
10 | 5DE | 0.9365 |
11 | 6DE | 0.9364 |
12 | 3DE | 0.9352 |
13 | KLE | 0.9350 |
14 | 7EH | 0.9344 |
15 | KLS | 0.9337 |
16 | 8CC | 0.9327 |
17 | AJ4 | 0.9326 |
18 | YE6 | 0.9314 |
19 | D9Z | 0.9306 |
20 | A4N | 0.9293 |
21 | 9FG | 0.9293 |
22 | ODK | 0.9286 |
23 | A4T | 0.9283 |
24 | PQS | 0.9280 |
25 | ZZA | 0.9276 |
26 | 0OK | 0.9276 |
27 | PQM | 0.9275 |
28 | PZ8 | 0.9264 |
29 | WCU | 0.9263 |
30 | JMG | 0.9259 |
31 | RKN | 0.9258 |
32 | AWE | 0.9243 |
33 | L1T | 0.9238 |
34 | TJM | 0.9234 |
35 | 54E | 0.9233 |
36 | 0UL | 0.9233 |
37 | KF5 | 0.9226 |
38 | LVY | 0.9225 |
39 | XYP XYP | 0.9213 |
40 | 1KN | 0.9207 |
41 | CBE | 0.9207 |
42 | KP2 | 0.9199 |
43 | NK5 | 0.9194 |
44 | RSV | 0.9194 |
45 | 7EL | 0.9189 |
46 | A7K | 0.9186 |
47 | 38B | 0.9184 |
48 | D25 | 0.9178 |
49 | FCD | 0.9160 |
50 | J27 | 0.9157 |
51 | 47X | 0.9156 |
52 | OA4 | 0.9153 |
53 | Q4G | 0.9153 |
54 | A9B | 0.9149 |
55 | PUE | 0.9142 |
56 | 4EU | 0.9142 |
57 | EAT | 0.9141 |
58 | 72E | 0.9140 |
59 | FYR | 0.9135 |
60 | JOB | 0.9135 |
61 | A4Q | 0.9133 |
62 | FMQ | 0.9131 |
63 | WVV | 0.9129 |
64 | 9CE | 0.9129 |
65 | P2L | 0.9127 |
66 | 6P3 | 0.9126 |
67 | QME | 0.9121 |
68 | LOT | 0.9121 |
69 | Y70 | 0.9119 |
70 | 90M | 0.9119 |
71 | GJG | 0.9116 |
72 | 5B2 | 0.9107 |
73 | H75 | 0.9103 |
74 | 51Y | 0.9102 |
75 | TI7 | 0.9093 |
76 | EV2 | 0.9089 |
77 | 5AD | 0.9088 |
78 | 7L4 | 0.9085 |
79 | 5TT | 0.9084 |
80 | TRP | 0.9082 |
81 | 1FL | 0.9080 |
82 | FCW | 0.9078 |
83 | AU8 | 0.9073 |
84 | FT6 | 0.9072 |
85 | RVE | 0.9069 |
86 | LR2 | 0.9068 |
87 | 27M | 0.9067 |
88 | BXZ | 0.9062 |
89 | 6H2 | 0.9057 |
90 | EES | 0.9055 |
91 | LZJ | 0.9055 |
92 | L13 | 0.9054 |
93 | AUV | 0.9051 |
94 | EI1 | 0.9049 |
95 | 4NR | 0.9047 |
96 | CU8 | 0.9047 |
97 | SNV | 0.9045 |
98 | GEN | 0.9042 |
99 | 4DE | 0.9042 |
100 | F4K | 0.9040 |
101 | 7ZO | 0.9036 |
102 | LR8 | 0.9034 |
103 | 2P3 | 0.9028 |
104 | XYP XIF | 0.9028 |
105 | 92O | 0.9027 |
106 | 2JX | 0.9026 |
107 | H4B | 0.9026 |
108 | 0DF | 0.9022 |
109 | 5H6 | 0.9018 |
110 | 1HP | 0.9017 |
111 | Q11 | 0.9013 |
112 | 50C | 0.9010 |
113 | IQW | 0.9008 |
114 | 7O4 | 0.9006 |
115 | E6Q | 0.9004 |
116 | L15 | 0.9002 |
117 | XDL XYP | 0.9002 |
118 | TGW | 0.9000 |
119 | A7Q | 0.8998 |
120 | 72D | 0.8992 |
121 | 6WR | 0.8992 |
122 | IKY | 0.8989 |
123 | 47V | 0.8989 |
124 | XIF XYP | 0.8989 |
125 | JFS | 0.8989 |
126 | XYS XYS | 0.8987 |
127 | C53 | 0.8986 |
128 | 68B | 0.8984 |
129 | 1SF | 0.8983 |
130 | A4B | 0.8980 |
131 | A5Q | 0.8977 |
132 | CC5 | 0.8976 |
133 | 789 | 0.8973 |
134 | 7N8 | 0.8971 |
135 | 22L | 0.8969 |
136 | ERZ | 0.8967 |
137 | 6DQ | 0.8961 |
138 | LFQ | 0.8959 |
139 | A6Z | 0.8957 |
140 | 5S9 | 0.8955 |
141 | 1ZC | 0.8954 |
142 | 5I5 | 0.8953 |
143 | SWX | 0.8949 |
144 | 8UY | 0.8949 |
145 | JAH | 0.8947 |
146 | OQC | 0.8947 |
147 | 7FZ | 0.8946 |
148 | D26 | 0.8945 |
149 | NPS | 0.8944 |
150 | 5E5 | 0.8943 |
151 | DBE | 0.8939 |
152 | FLP | 0.8936 |
153 | 3VW | 0.8936 |
154 | NQ7 | 0.8934 |
155 | 4MP | 0.8932 |
156 | AJ6 | 0.8931 |
157 | IQQ | 0.8931 |
158 | 1XS | 0.8931 |
159 | HMO | 0.8927 |
160 | XDN XYP | 0.8925 |
161 | 3QI | 0.8920 |
162 | F4U | 0.8919 |
163 | Q0K | 0.8918 |
164 | 6MD | 0.8917 |
165 | EQW | 0.8915 |
166 | FC2 | 0.8914 |
167 | 15Q | 0.8914 |
168 | MZR | 0.8912 |
169 | XYP XDN | 0.8908 |
170 | 0K7 | 0.8907 |
171 | OSP | 0.8906 |
172 | H2B | 0.8906 |
173 | 6SD | 0.8901 |
174 | BX4 | 0.8901 |
175 | BPY | 0.8898 |
176 | L5D | 0.8891 |
177 | 4AB | 0.8891 |
178 | Q8G | 0.8889 |
179 | A8Q | 0.8887 |
180 | 28A | 0.8887 |
181 | 613 | 0.8887 |
182 | NAL | 0.8886 |
183 | A18 | 0.8885 |
184 | 121 | 0.8885 |
185 | 801 | 0.8885 |
186 | 5CD | 0.8881 |
187 | 5VU | 0.8880 |
188 | 0GA | 0.8879 |
189 | 1ER | 0.8879 |
190 | 4ZF | 0.8879 |
191 | 90G | 0.8878 |
192 | XI7 | 0.8876 |
193 | 22M | 0.8870 |
194 | ADN | 0.8870 |
195 | VIB | 0.8868 |
196 | AP6 | 0.8868 |
197 | K48 | 0.8867 |
198 | 2OX | 0.8867 |
199 | TCC | 0.8865 |
200 | LJ4 | 0.8865 |
201 | W23 | 0.8863 |
202 | 833 | 0.8862 |
203 | EAJ | 0.8861 |
204 | 8V8 | 0.8859 |
205 | 3D1 | 0.8859 |
206 | KYN | 0.8855 |
207 | HBI | 0.8855 |
208 | XYS XYP | 0.8855 |
209 | 5SJ | 0.8855 |
210 | 5GV | 0.8851 |
211 | AVX | 0.8851 |
212 | S1D | 0.8851 |
213 | BP7 | 0.8849 |
214 | BBY | 0.8847 |
215 | VC3 | 0.8847 |
216 | 3SU | 0.8845 |
217 | L2K | 0.8845 |
218 | XEV | 0.8845 |
219 | FBC | 0.8843 |
220 | B23 | 0.8842 |
221 | PIQ | 0.8840 |
222 | C2M | 0.8839 |
223 | AVA | 0.8836 |
224 | HNK | 0.8836 |
225 | XIL | 0.8833 |
226 | S0D | 0.8831 |
227 | WA1 | 0.8829 |
228 | 4CN | 0.8828 |
229 | 205 | 0.8823 |
230 | 80G | 0.8823 |
231 | 124 | 0.8823 |
232 | 5M2 | 0.8821 |
233 | MI2 | 0.8817 |
234 | TOH | 0.8816 |
235 | F02 | 0.8813 |
236 | TC8 | 0.8813 |
237 | B21 | 0.8812 |
238 | FZM | 0.8810 |
239 | 5F8 | 0.8810 |
240 | EST | 0.8806 |
241 | JSX | 0.8804 |
242 | 0OY | 0.8804 |
243 | ZTW | 0.8803 |
244 | 0ON | 0.8803 |
245 | 4AF | 0.8800 |
246 | J2P | 0.8798 |
247 | NE1 | 0.8797 |
248 | KCH | 0.8796 |
249 | 4FF | 0.8796 |
250 | C0H | 0.8794 |
251 | BC5 | 0.8792 |
252 | CR4 | 0.8791 |
253 | ARJ | 0.8790 |
254 | 2L1 | 0.8780 |
255 | 397 | 0.8779 |
256 | CP6 | 0.8777 |
257 | 6QT | 0.8776 |
258 | X48 | 0.8775 |
259 | 5FL | 0.8769 |
260 | 5OR | 0.8768 |
261 | 5O6 | 0.8766 |
262 | MEX | 0.8766 |
263 | 7KE | 0.8762 |
264 | UN3 | 0.8762 |
265 | 5TU | 0.8759 |
266 | VBC | 0.8758 |
267 | 5FD | 0.8756 |
268 | 7DE | 0.8755 |
269 | 9JT | 0.8752 |
270 | 0NX | 0.8750 |
271 | 11X | 0.8743 |
272 | LWS | 0.8741 |
273 | TEF | 0.8740 |
274 | WA2 | 0.8732 |
275 | 40N | 0.8730 |
276 | HL6 | 0.8730 |
277 | ESZ | 0.8726 |
278 | SYD | 0.8726 |
279 | D64 | 0.8723 |
280 | 092 | 0.8718 |
281 | LL1 | 0.8717 |
282 | QKU | 0.8711 |
283 | G30 | 0.8711 |
284 | BVS | 0.8708 |
285 | 5ER | 0.8707 |
286 | VJJ | 0.8707 |
287 | 1Q4 | 0.8701 |
288 | U3P | 0.8701 |
289 | 1Q1 | 0.8698 |
290 | AUG | 0.8695 |
291 | X6W | 0.8694 |
292 | AJ1 | 0.8693 |
293 | BNY | 0.8692 |
294 | PTB | 0.8689 |
295 | NPX | 0.8688 |
296 | DDC | 0.8688 |
297 | NOC | 0.8687 |
298 | S46 | 0.8686 |
299 | 120 | 0.8684 |
300 | SNJ | 0.8684 |
301 | 4NP | 0.8684 |
302 | 4FP | 0.8681 |
303 | TR4 | 0.8680 |
304 | D1Y | 0.8678 |
305 | 2GE | 0.8675 |
306 | F40 | 0.8675 |
307 | 83D | 0.8674 |
308 | RBV | 0.8673 |
309 | FHV | 0.8673 |
310 | 27K | 0.8671 |
311 | FM2 | 0.8669 |
312 | 3IL | 0.8668 |
313 | 5ZM | 0.8664 |
314 | AUE | 0.8663 |
315 | SJR | 0.8660 |
316 | MPK | 0.8658 |
317 | 7GY | 0.8653 |
318 | BSU | 0.8648 |
319 | MTP | 0.8645 |
320 | 4I8 | 0.8644 |
321 | DTR | 0.8642 |
322 | C3P | 0.8641 |
323 | OA1 | 0.8639 |
324 | 2QV | 0.8638 |
325 | 92Y | 0.8637 |
326 | J3Z | 0.8636 |
327 | EQU | 0.8634 |
328 | 9KL | 0.8631 |
329 | C93 | 0.8631 |
330 | TB8 | 0.8629 |
331 | E3X | 0.8629 |
332 | 7G0 | 0.8626 |
333 | YZ9 | 0.8625 |
334 | 9UL | 0.8623 |
335 | XYP XYS | 0.8621 |
336 | HNT | 0.8621 |
337 | MR5 | 0.8619 |
338 | 657 | 0.8616 |
339 | 848 | 0.8613 |
340 | WDW | 0.8612 |
341 | 3WL | 0.8612 |
342 | 3XH | 0.8611 |
343 | 5F4 | 0.8609 |
344 | LZ4 | 0.8604 |
345 | 4AU | 0.8603 |
346 | 9KZ | 0.8600 |
347 | GZV | 0.8598 |
348 | X6P | 0.8598 |
349 | 3XR | 0.8595 |
350 | C82 | 0.8595 |
351 | DFL | 0.8586 |
352 | 7MW | 0.8585 |
353 | WV7 | 0.8582 |
354 | 7FU | 0.8581 |
355 | AFX | 0.8577 |
356 | P7V | 0.8570 |
357 | 37E | 0.8557 |
358 | UA3 | 0.8554 |
359 | PFT | 0.8549 |
360 | TBN | 0.8547 |
361 | 4BX | 0.8545 |
362 | CX6 | 0.8541 |
363 | 3K1 | 0.8540 |
364 | 5CK | 0.8538 |
365 | CX5 | 0.8534 |
366 | EZB | 0.8527 |
This union binding pocket(no: 1) in the query (biounit: 5niu.bio2) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5niu.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |