- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 1 families. | |||||
1 | 3E9K | Ki = 60 uM | 3XH | C9 H9 N O4 | c1cc(cc(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3E9K | Ki = 60 uM | 3XH | C9 H9 N O4 | c1cc(cc(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3XH | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | S7D | 0.9493 |
2 | D8Q | 0.9411 |
3 | LVD | 0.9353 |
4 | 6L6 | 0.9351 |
5 | MD6 | 0.9336 |
6 | EQA | 0.9299 |
7 | 1HR | 0.9273 |
8 | E9S | 0.9271 |
9 | XI7 | 0.9238 |
10 | I2E | 0.9237 |
11 | S8G | 0.9231 |
12 | PUE | 0.9205 |
13 | EYV | 0.9171 |
14 | GOE | 0.9168 |
15 | PRO GLY | 0.9163 |
16 | H4E | 0.9156 |
17 | ONZ | 0.9145 |
18 | QIV | 0.9141 |
19 | KYN | 0.9139 |
20 | 36M | 0.9138 |
21 | 6Q3 | 0.9126 |
22 | 0NX | 0.9115 |
23 | 1PS | 0.9115 |
24 | IOP | 0.9109 |
25 | P1J | 0.9107 |
26 | G14 | 0.9105 |
27 | S7G | 0.9101 |
28 | L1T | 0.9095 |
29 | 6HO | 0.9094 |
30 | 2FX | 0.9085 |
31 | KF5 | 0.9084 |
32 | BZQ | 0.9079 |
33 | FHV | 0.9070 |
34 | HL4 | 0.9070 |
35 | GO2 | 0.9056 |
36 | N9J | 0.9056 |
37 | 0K7 | 0.9055 |
38 | BVS | 0.9054 |
39 | 3VX | 0.9054 |
40 | 11X | 0.9049 |
41 | GO8 | 0.9046 |
42 | 7PJ | 0.9040 |
43 | NK5 | 0.9038 |
44 | OA1 | 0.9038 |
45 | 0FR | 0.9037 |
46 | FCD | 0.9037 |
47 | FER | 0.9036 |
48 | N91 | 0.9024 |
49 | 3D3 | 0.9020 |
50 | YZM | 0.9019 |
51 | 6J5 | 0.9018 |
52 | ZZA | 0.9014 |
53 | L22 | 0.9013 |
54 | D2G | 0.9011 |
55 | Y3L | 0.9010 |
56 | 7O4 | 0.9010 |
57 | 795 | 0.9006 |
58 | PQT | 0.9001 |
59 | RA7 | 0.8992 |
60 | 5VU | 0.8988 |
61 | LZ5 | 0.8987 |
62 | TJM | 0.8987 |
63 | S7S | 0.8983 |
64 | 6N4 | 0.8983 |
65 | H35 | 0.8971 |
66 | ALE | 0.8969 |
67 | D1G | 0.8969 |
68 | GXG | 0.8968 |
69 | 5PV | 0.8963 |
70 | EV2 | 0.8955 |
71 | C9M | 0.8955 |
72 | DHC | 0.8953 |
73 | 3VW | 0.8950 |
74 | PLP | 0.8950 |
75 | 92O | 0.8949 |
76 | ODK | 0.8949 |
77 | 0ON | 0.8946 |
78 | 54F | 0.8944 |
79 | 3VQ | 0.8943 |
80 | FC2 | 0.8937 |
81 | 5C1 | 0.8930 |
82 | 27K | 0.8925 |
83 | ZHA | 0.8925 |
84 | 4YZ | 0.8921 |
85 | ARP | 0.8921 |
86 | TRP | 0.8920 |
87 | JCZ | 0.8919 |
88 | MUK | 0.8918 |
89 | E1P | 0.8917 |
90 | CIY | 0.8914 |
91 | 5O6 | 0.8912 |
92 | TZM | 0.8911 |
93 | YE6 | 0.8908 |
94 | BGT | 0.8905 |
95 | M4N | 0.8905 |
96 | D3G | 0.8904 |
97 | XCG | 0.8902 |
98 | EYJ | 0.8902 |
99 | SOJ | 0.8901 |
100 | PBN | 0.8898 |
101 | 4BX | 0.8897 |
102 | 8YH | 0.8896 |
103 | GZ2 | 0.8896 |
104 | NFZ | 0.8895 |
105 | 3N1 | 0.8894 |
106 | EYY | 0.8892 |
107 | 68B | 0.8892 |
108 | LJ4 | 0.8891 |
109 | 2JX | 0.8888 |
110 | S8P | 0.8888 |
111 | 1L5 | 0.8887 |
112 | KMY | 0.8884 |
113 | 5ER | 0.8882 |
114 | 96Z | 0.8882 |
115 | 2J3 | 0.8881 |
116 | HBI | 0.8880 |
117 | IAC | 0.8878 |
118 | RSV | 0.8878 |
119 | 4FE | 0.8878 |
120 | 0OL | 0.8875 |
121 | XRS | 0.8872 |
122 | OJD | 0.8872 |
123 | 5S9 | 0.8871 |
124 | QME | 0.8863 |
125 | 3IP | 0.8859 |
126 | IAR | 0.8857 |
127 | VC3 | 0.8857 |
128 | DBS | 0.8854 |
129 | SB9 | 0.8853 |
130 | 6MW | 0.8852 |
131 | CUQ | 0.8852 |
132 | M5E | 0.8849 |
133 | P80 | 0.8845 |
134 | CUH | 0.8843 |
135 | JYT | 0.8842 |
136 | HXY | 0.8842 |
137 | BZM | 0.8842 |
138 | 3H2 | 0.8840 |
139 | ZRK | 0.8840 |
140 | 0OO | 0.8837 |
141 | M83 | 0.8836 |
142 | 1XS | 0.8834 |
143 | ZEA | 0.8834 |
144 | 22F | 0.8834 |
145 | CK2 | 0.8831 |
146 | 1ZC | 0.8829 |
147 | GGB | 0.8828 |
148 | FZM | 0.8826 |
149 | 7MW | 0.8825 |
150 | BSA | 0.8825 |
151 | 5B2 | 0.8822 |
152 | ZIP | 0.8822 |
153 | DAH | 0.8822 |
154 | JMG | 0.8821 |
155 | PTB | 0.8819 |
156 | C9E | 0.8818 |
157 | 6FG | 0.8818 |
158 | API | 0.8818 |
159 | S0A | 0.8818 |
160 | 848 | 0.8816 |
161 | 4NP | 0.8816 |
162 | EXG | 0.8814 |
163 | LTN | 0.8811 |
164 | LL2 | 0.8809 |
165 | FY8 | 0.8808 |
166 | 9JT | 0.8808 |
167 | TIA | 0.8807 |
168 | YOF | 0.8806 |
169 | BIO | 0.8803 |
170 | TMG | 0.8803 |
171 | GZV | 0.8801 |
172 | N7I | 0.8800 |
173 | SJK | 0.8799 |
174 | IOS | 0.8799 |
175 | 1AJ | 0.8795 |
176 | 363 | 0.8795 |
177 | AX5 | 0.8793 |
178 | 7EH | 0.8790 |
179 | FF2 | 0.8789 |
180 | CK1 | 0.8789 |
181 | TYR | 0.8786 |
182 | ARG | 0.8785 |
183 | HL6 | 0.8784 |
184 | 9BF | 0.8784 |
185 | GJK | 0.8783 |
186 | TOH | 0.8783 |
187 | CC5 | 0.8781 |
188 | D9Z | 0.8778 |
189 | PBA | 0.8778 |
190 | 5WN | 0.8777 |
191 | SYE | 0.8777 |
192 | EGV | 0.8776 |
193 | ZEZ | 0.8775 |
194 | 4MB | 0.8775 |
195 | 5LD | 0.8775 |
196 | HSA | 0.8775 |
197 | H4B | 0.8774 |
198 | TB8 | 0.8770 |
199 | 22T | 0.8770 |
200 | N4E | 0.8769 |
201 | 1QP | 0.8768 |
202 | HLP | 0.8767 |
203 | PNP | 0.8765 |
204 | AHN | 0.8765 |
205 | EQW | 0.8765 |
206 | S8D | 0.8765 |
207 | ZSP | 0.8762 |
208 | PLR | 0.8759 |
209 | L15 | 0.8758 |
210 | 47V | 0.8758 |
211 | 8Y7 | 0.8758 |
212 | S0D | 0.8757 |
213 | Y0V | 0.8756 |
214 | ENO | 0.8753 |
215 | JOT | 0.8753 |
216 | 3C5 | 0.8751 |
217 | E7S | 0.8751 |
218 | GNW | 0.8750 |
219 | 4AU | 0.8750 |
220 | N1E | 0.8748 |
221 | ZEC | 0.8748 |
222 | Q5M | 0.8748 |
223 | 4AB | 0.8748 |
224 | JXK | 0.8744 |
225 | B41 | 0.8743 |
226 | 9R5 | 0.8743 |
227 | G30 | 0.8742 |
228 | DTR | 0.8742 |
229 | F63 | 0.8739 |
230 | 6ZX | 0.8738 |
231 | H2B | 0.8736 |
232 | BHS | 0.8735 |
233 | M78 | 0.8734 |
234 | 5AD | 0.8733 |
235 | H75 | 0.8730 |
236 | 7AP | 0.8730 |
237 | M2E | 0.8728 |
238 | JGY | 0.8728 |
239 | MUX | 0.8725 |
240 | M5H | 0.8721 |
241 | ERZ | 0.8719 |
242 | SNO | 0.8718 |
243 | 2GQ | 0.8718 |
244 | RNO | 0.8716 |
245 | 4FP | 0.8714 |
246 | 6C9 | 0.8714 |
247 | 2P3 | 0.8710 |
248 | 5GV | 0.8709 |
249 | 657 | 0.8709 |
250 | BB4 | 0.8706 |
251 | YIP | 0.8705 |
252 | B5A | 0.8702 |
253 | ZYQ | 0.8701 |
254 | SB7 | 0.8700 |
255 | LR2 | 0.8700 |
256 | CIR | 0.8699 |
257 | 8CC | 0.8699 |
258 | KLV | 0.8698 |
259 | 4V2 | 0.8698 |
260 | KLS | 0.8695 |
261 | BVA | 0.8694 |
262 | 0OY | 0.8694 |
263 | 5DL | 0.8693 |
264 | K4V | 0.8692 |
265 | 2PK | 0.8688 |
266 | TZP | 0.8687 |
267 | RCV | 0.8686 |
268 | P93 | 0.8684 |
269 | 2PV | 0.8681 |
270 | KPV | 0.8681 |
271 | HX8 | 0.8680 |
272 | V1T | 0.8679 |
273 | LSQ | 0.8677 |
274 | EAE | 0.8676 |
275 | F4E | 0.8676 |
276 | NPX | 0.8675 |
277 | 0OK | 0.8675 |
278 | S0F | 0.8675 |
279 | LL1 | 0.8669 |
280 | 6C5 | 0.8669 |
281 | N2M | 0.8668 |
282 | PML | 0.8667 |
283 | 3IL | 0.8663 |
284 | 492 | 0.8662 |
285 | 61M | 0.8662 |
286 | CBE | 0.8662 |
287 | 28A | 0.8661 |
288 | 7PS | 0.8661 |
289 | GHQ | 0.8659 |
290 | 4NS | 0.8659 |
291 | STX | 0.8658 |
292 | DI9 | 0.8657 |
293 | 6P3 | 0.8656 |
294 | 9UL | 0.8656 |
295 | MIL | 0.8655 |
296 | TCA | 0.8655 |
297 | C0W | 0.8655 |
298 | OOG | 0.8653 |
299 | NAL | 0.8651 |
300 | 4I8 | 0.8646 |
301 | WCU | 0.8644 |
302 | ATX | 0.8642 |
303 | E6Q | 0.8641 |
304 | GVA | 0.8640 |
305 | B21 | 0.8634 |
306 | 833 | 0.8633 |
307 | B1J | 0.8632 |
308 | DTY | 0.8631 |
309 | GXD | 0.8627 |
310 | 4Z9 | 0.8622 |
311 | 3IB | 0.8620 |
312 | NPS | 0.8618 |
313 | 55D | 0.8614 |
314 | KW7 | 0.8611 |
315 | Q9T | 0.8610 |
316 | 6H2 | 0.8610 |
317 | JF5 | 0.8609 |
318 | A5Q | 0.8608 |
319 | 2D2 | 0.8606 |
320 | 0F3 | 0.8606 |
321 | DAR | 0.8604 |
322 | 1YO | 0.8604 |
323 | JAH | 0.8604 |
324 | JQ5 | 0.8603 |
325 | P4T | 0.8602 |
326 | J6W | 0.8599 |
327 | HNT | 0.8597 |
328 | A7H | 0.8597 |
329 | 14W | 0.8596 |
330 | PH2 | 0.8595 |
331 | 3QO | 0.8593 |
332 | 9H2 | 0.8593 |
333 | JXT | 0.8593 |
334 | SX2 | 0.8591 |
335 | P7V | 0.8591 |
336 | 6SD | 0.8590 |
337 | X0U | 0.8590 |
338 | N18 | 0.8587 |
339 | FPL | 0.8585 |
340 | 0X2 | 0.8584 |
341 | PIQ | 0.8582 |
342 | MJ5 | 0.8581 |
343 | BL0 | 0.8579 |
344 | BGP | 0.8576 |
345 | 9ZE | 0.8576 |
346 | YZ9 | 0.8573 |
347 | OA4 | 0.8566 |
348 | BGU | 0.8565 |
349 | PHE | 0.8562 |
350 | 3ZB | 0.8559 |
351 | 3TC | 0.8559 |
352 | IS2 | 0.8559 |
353 | T1N | 0.8557 |
354 | 4XF | 0.8557 |
355 | BQ2 | 0.8556 |
356 | N2I | 0.8555 |
357 | SKF | 0.8550 |
358 | DT7 | 0.8546 |
359 | 3VS | 0.8543 |
360 | QBM | 0.8541 |
361 | A7N | 0.8540 |
362 | DE7 | 0.8540 |
363 | FT6 | 0.8539 |
364 | 4FF | 0.8535 |
365 | 0JD | 0.8532 |
366 | HX4 | 0.8523 |
367 | A7K | 0.8522 |
368 | RVE | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 3e9k.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3e9k.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |