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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 | 4WQ3 | ic50 = 0.1 uM | 3SU | C11 H8 Br N O2 S | c1cc2c(cc1.... |
2 | 5D69 | - | 57T | C18 H12 I2 O4 S2 | c1cc(ccc1/.... |
3 | 1NX3 | - | ISA | C9 H9 I O2 S | c1cc(ccc1C.... |
4 | 1ALW | Ki = 0.3 uM | ISA | C9 H9 I O2 S | c1cc(ccc1C.... |
5 | 4PHK | - | 2UB | C9 H7 Cl O2 S | c1cc(ccc1/.... |
6 | 4PHM | - | 2UD | C11 H8 Br N O2 S | c1cc2c(cc1.... |
7 | 4WQ2 | ic50 = 0.5 uM | 3SU | C11 H8 Br N O2 S | c1cc2c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4WQ3 | ic50 = 0.1 uM | 3SU | C11 H8 Br N O2 S | c1cc2c(cc1.... |
2 | 5D69 | - | 57T | C18 H12 I2 O4 S2 | c1cc(ccc1/.... |
3 | 1NX3 | - | ISA | C9 H9 I O2 S | c1cc(ccc1C.... |
4 | 1ALW | Ki = 0.3 uM | ISA | C9 H9 I O2 S | c1cc(ccc1C.... |
5 | 4PHK | - | 2UB | C9 H7 Cl O2 S | c1cc(ccc1/.... |
6 | 4PHM | - | 2UD | C11 H8 Br N O2 S | c1cc2c(cc1.... |
7 | 4WQ2 | ic50 = 0.5 uM | 3SU | C11 H8 Br N O2 S | c1cc2c(cc1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2UB | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DTY | 0.9842 |
2 | TYR | 0.9836 |
3 | FHC | 0.9811 |
4 | ENO | 0.9809 |
5 | ISA | 0.9799 |
6 | HPP | 0.9699 |
7 | AHC | 0.9611 |
8 | TYE | 0.9574 |
9 | TYC | 0.9572 |
10 | PHE | 0.9570 |
11 | NFA | 0.9564 |
12 | IYR | 0.9545 |
13 | PPY | 0.9543 |
14 | DAH | 0.9536 |
15 | DPN | 0.9527 |
16 | YOF | 0.9521 |
17 | S0W | 0.9516 |
18 | PFF | 0.9508 |
19 | EN1 | 0.9471 |
20 | F90 | 0.9460 |
21 | N2Y | 0.9429 |
22 | E0O | 0.9426 |
23 | HXY | 0.9417 |
24 | PPT | 0.9415 |
25 | B3U | 0.9414 |
26 | HWD | 0.9412 |
27 | 4CF | 0.9407 |
28 | PH3 | 0.9403 |
29 | CLT | 0.9389 |
30 | 0A1 | 0.9381 |
31 | HFA | 0.9374 |
32 | HF2 | 0.9361 |
33 | M6H | 0.9359 |
34 | HIC | 0.9349 |
35 | S0F | 0.9323 |
36 | P58 | 0.9313 |
37 | M5E | 0.9306 |
38 | BRH | 0.9301 |
39 | DHC | 0.9300 |
40 | PHI | 0.9284 |
41 | HX8 | 0.9281 |
42 | 4BF | 0.9280 |
43 | J4K | 0.9276 |
44 | MJ5 | 0.9265 |
45 | IPO | 0.9263 |
46 | 4HP | 0.9263 |
47 | HCI | 0.9246 |
48 | YIE | 0.9245 |
49 | R9J | 0.9244 |
50 | CH8 | 0.9235 |
51 | C82 | 0.9234 |
52 | S2P | 0.9226 |
53 | CFA | 0.9215 |
54 | HNL | 0.9205 |
55 | DIR | 0.9201 |
56 | 3QM | 0.9201 |
57 | QUS | 0.9199 |
58 | HHH | 0.9195 |
59 | 3QO | 0.9194 |
60 | FTV | 0.9191 |
61 | RQD | 0.9188 |
62 | SHI | 0.9183 |
63 | CWD | 0.9179 |
64 | TYL | 0.9179 |
65 | YPN | 0.9173 |
66 | 0QW | 0.9167 |
67 | IWD | 0.9167 |
68 | FPL | 0.9166 |
69 | 3TC | 0.9163 |
70 | TRP | 0.9161 |
71 | 7QS | 0.9160 |
72 | HIS | 0.9158 |
73 | B40 | 0.9153 |
74 | BPW | 0.9152 |
75 | K7M | 0.9151 |
76 | 9VQ | 0.9147 |
77 | AOT | 0.9146 |
78 | MMS | 0.9135 |
79 | A7Q | 0.9130 |
80 | BWD | 0.9128 |
81 | 4PN | 0.9121 |
82 | GWM | 0.9121 |
83 | FK8 | 0.9119 |
84 | GCO | 0.9119 |
85 | IC9 | 0.9118 |
86 | I2E | 0.9118 |
87 | 1BN | 0.9118 |
88 | 9W5 | 0.9112 |
89 | 56D | 0.9103 |
90 | Y4L | 0.9102 |
91 | F06 | 0.9101 |
92 | LL2 | 0.9101 |
93 | SYC | 0.9094 |
94 | M74 | 0.9091 |
95 | AEG | 0.9090 |
96 | TIH | 0.9088 |
97 | 2B4 | 0.9085 |
98 | GLO | 0.9081 |
99 | N9J | 0.9079 |
100 | HJH | 0.9077 |
101 | 33S | 0.9077 |
102 | JRB | 0.9066 |
103 | FWD | 0.9064 |
104 | PF1 | 0.9062 |
105 | DEW | 0.9062 |
106 | 3CR | 0.9061 |
107 | HNK | 0.9060 |
108 | LVD | 0.9060 |
109 | XIZ | 0.9059 |
110 | MP5 | 0.9059 |
111 | DUR | 0.9058 |
112 | 4MP | 0.9054 |
113 | HHI | 0.9051 |
114 | 0OY | 0.9049 |
115 | PMF | 0.9049 |
116 | SOJ | 0.9048 |
117 | NCT | 0.9048 |
118 | CXH | 0.9041 |
119 | 4OG | 0.9033 |
120 | 5WZ | 0.9031 |
121 | MES | 0.9031 |
122 | LTN | 0.9028 |
123 | M45 | 0.9028 |
124 | CUT | 0.9027 |
125 | XYH | 0.9027 |
126 | SV4 | 0.9027 |
127 | K80 | 0.9025 |
128 | SOR | 0.9022 |
129 | DYT | 0.9020 |
130 | HNH | 0.9020 |
131 | R2P | 0.9019 |
132 | 2C2 | 0.9018 |
133 | BNF | 0.9014 |
134 | 7Q1 | 0.9012 |
135 | 3YP | 0.9010 |
136 | CXP | 0.9009 |
137 | LTT | 0.9006 |
138 | BPY | 0.9003 |
139 | BNL | 0.9003 |
140 | OOG | 0.9002 |
141 | 0A9 | 0.9002 |
142 | DHI | 0.9001 |
143 | 36M | 0.9001 |
144 | Q04 | 0.9000 |
145 | 4FP | 0.8999 |
146 | B85 | 0.8998 |
147 | SMN | 0.8997 |
148 | 3IL | 0.8994 |
149 | PO6 | 0.8992 |
150 | CS2 | 0.8990 |
151 | HNM | 0.8989 |
152 | 3VW | 0.8988 |
153 | TCC | 0.8986 |
154 | 1VK | 0.8982 |
155 | KDG | 0.8981 |
156 | DHY | 0.8980 |
157 | A3M | 0.8977 |
158 | CPZ | 0.8977 |
159 | NFM | 0.8971 |
160 | 0OL | 0.8970 |
161 | R9M | 0.8968 |
162 | PPN | 0.8968 |
163 | QH3 | 0.8962 |
164 | 1Z6 | 0.8962 |
165 | Q9Z | 0.8961 |
166 | M3H | 0.8958 |
167 | 4VY | 0.8955 |
168 | 54F | 0.8953 |
169 | 4AF | 0.8949 |
170 | LGT | 0.8947 |
171 | GRO | 0.8942 |
172 | Q06 | 0.8940 |
173 | 4TB | 0.8940 |
174 | EQW | 0.8940 |
175 | FT6 | 0.8940 |
176 | E9P | 0.8940 |
177 | 8OB | 0.8939 |
178 | ALE | 0.8938 |
179 | YIH | 0.8933 |
180 | TZM | 0.8932 |
181 | PBA | 0.8932 |
182 | GLR | 0.8930 |
183 | 5O5 | 0.8928 |
184 | FUD | 0.8920 |
185 | EYJ | 0.8916 |
186 | 8OE | 0.8916 |
187 | ITW | 0.8914 |
188 | 9PL | 0.8914 |
189 | 6HO | 0.8908 |
190 | TCL | 0.8907 |
191 | T03 | 0.8906 |
192 | DCN | 0.8906 |
193 | HPS | 0.8906 |
194 | ICB | 0.8905 |
195 | AHN | 0.8904 |
196 | PYU | 0.8904 |
197 | REL | 0.8902 |
198 | 3LR | 0.8899 |
199 | APG | 0.8899 |
200 | PAC | 0.8899 |
201 | 9VZ | 0.8898 |
202 | 50C | 0.8896 |
203 | MTL | 0.8896 |
204 | PCS | 0.8895 |
205 | JZA | 0.8895 |
206 | YF3 | 0.8895 |
207 | FB4 | 0.8894 |
208 | ONL | 0.8893 |
209 | LNR | 0.8892 |
210 | EYY | 0.8892 |
211 | B41 | 0.8891 |
212 | DCZ | 0.8891 |
213 | 22F | 0.8890 |
214 | UA5 | 0.8890 |
215 | XDK | 0.8887 |
216 | SBK | 0.8887 |
217 | P80 | 0.8885 |
218 | DTR | 0.8885 |
219 | 173 | 0.8885 |
220 | C53 | 0.8883 |
221 | BZQ | 0.8883 |
222 | XRX | 0.8883 |
223 | OHJ | 0.8881 |
224 | F4K | 0.8879 |
225 | OTR | 0.8877 |
226 | AMQ | 0.8876 |
227 | ALA ALA | 0.8870 |
228 | GVG | 0.8870 |
229 | RLG | 0.8870 |
230 | RVE | 0.8869 |
231 | PLR | 0.8869 |
232 | N4B | 0.8868 |
233 | 9BF | 0.8865 |
234 | 3BU | 0.8863 |
235 | GAE | 0.8863 |
236 | 4ZD | 0.8862 |
237 | 2GA | 0.8861 |
238 | SOL | 0.8859 |
239 | 3C4 | 0.8858 |
240 | IOP | 0.8857 |
241 | ZIQ | 0.8857 |
242 | CTE | 0.8857 |
243 | MSR | 0.8854 |
244 | S3C | 0.8853 |
245 | JF6 | 0.8853 |
246 | 27L | 0.8851 |
247 | HGA | 0.8847 |
248 | 3HP | 0.8847 |
249 | 1PS | 0.8846 |
250 | C6Z | 0.8843 |
251 | DXG | 0.8842 |
252 | GNW | 0.8842 |
253 | TZP | 0.8841 |
254 | SYM | 0.8840 |
255 | LFC | 0.8837 |
256 | Z70 | 0.8837 |
257 | YI6 | 0.8836 |
258 | KYN | 0.8834 |
259 | 3NF | 0.8832 |
260 | LPK | 0.8831 |
261 | 4BX | 0.8828 |
262 | E4P | 0.8827 |
263 | SAF | 0.8825 |
264 | NAG | 0.8821 |
265 | 8U3 | 0.8819 |
266 | 2LT | 0.8819 |
267 | CK2 | 0.8819 |
268 | LYS | 0.8819 |
269 | DDU | 0.8817 |
270 | 2C0 | 0.8816 |
271 | RBJ | 0.8815 |
272 | A5E | 0.8815 |
273 | 7BC | 0.8812 |
274 | TOH | 0.8811 |
275 | 1OH | 0.8809 |
276 | 7R4 | 0.8808 |
277 | DE3 | 0.8807 |
278 | PRA | 0.8807 |
279 | XDE | 0.8805 |
280 | 9RW | 0.8804 |
281 | HSO | 0.8804 |
282 | S7A | 0.8804 |
283 | 61M | 0.8802 |
284 | SQ7 | 0.8801 |
285 | PSJ | 0.8800 |
286 | L99 | 0.8798 |
287 | 6FZ | 0.8796 |
288 | 4LW | 0.8795 |
289 | 11C | 0.8793 |
290 | C0H | 0.8793 |
291 | M72 | 0.8792 |
292 | HL4 | 0.8791 |
293 | ERZ | 0.8788 |
294 | 46P | 0.8785 |
295 | ASC | 0.8782 |
296 | 2NP | 0.8782 |
297 | 1A7 | 0.8782 |
298 | 6J5 | 0.8781 |
299 | L13 | 0.8780 |
300 | FA1 | 0.8780 |
301 | BP3 | 0.8780 |
302 | I4B | 0.8778 |
303 | CH9 | 0.8778 |
304 | PBN | 0.8777 |
305 | NOK | 0.8776 |
306 | O45 | 0.8775 |
307 | 0NX | 0.8770 |
308 | 92G | 0.8770 |
309 | RMN | 0.8769 |
310 | LSQ | 0.8768 |
311 | SB7 | 0.8767 |
312 | QY9 | 0.8767 |
313 | S24 | 0.8766 |
314 | 8OZ | 0.8766 |
315 | SDF | 0.8765 |
316 | 268 | 0.8764 |
317 | A6H | 0.8763 |
318 | LDC | 0.8763 |
319 | M4T | 0.8762 |
320 | LLH | 0.8761 |
321 | HLP | 0.8758 |
322 | 1L5 | 0.8756 |
323 | A9P | 0.8755 |
324 | 3VR | 0.8755 |
325 | AKG | 0.8752 |
326 | KTA | 0.8751 |
327 | 1FD | 0.8747 |
328 | URO | 0.8745 |
329 | URS | 0.8744 |
330 | THU | 0.8743 |
331 | SLY | 0.8742 |
332 | TAG | 0.8741 |
333 | AEF | 0.8741 |
334 | 3W1 | 0.8738 |
335 | BL0 | 0.8735 |
336 | GLN | 0.8734 |
337 | 7VP | 0.8734 |
338 | UN1 | 0.8732 |
339 | GZQ | 0.8730 |
340 | K6H | 0.8729 |
341 | A9O | 0.8729 |
342 | AVI | 0.8728 |
343 | 6J9 | 0.8725 |
344 | 7ZL | 0.8725 |
345 | HDH | 0.8724 |
346 | JPQ | 0.8724 |
347 | 4LV | 0.8724 |
348 | Q03 | 0.8721 |
349 | FF3 | 0.8720 |
350 | 15E | 0.8720 |
351 | 2JX | 0.8718 |
352 | THM | 0.8717 |
353 | YRL | 0.8716 |
354 | 86L | 0.8715 |
355 | EXR | 0.8714 |
356 | PTU | 0.8710 |
357 | CLU | 0.8710 |
358 | 9RH | 0.8709 |
359 | TLM | 0.8708 |
360 | 848 | 0.8708 |
361 | XEN | 0.8706 |
362 | 1XA | 0.8705 |
363 | HX4 | 0.8704 |
364 | 92K | 0.8703 |
365 | NYL | 0.8701 |
366 | M2E | 0.8700 |
367 | SQ4 | 0.8700 |
368 | L22 | 0.8699 |
369 | ISD | 0.8695 |
370 | MXN | 0.8695 |
371 | ING | 0.8692 |
372 | A4N | 0.8689 |
373 | TH4 | 0.8686 |
374 | 2DL | 0.8686 |
375 | GLU | 0.8686 |
376 | RNS | 0.8686 |
377 | K82 | 0.8682 |
378 | 4RW | 0.8681 |
379 | XI7 | 0.8675 |
380 | ENW | 0.8674 |
381 | BQ2 | 0.8673 |
382 | YIP | 0.8672 |
383 | TSR | 0.8672 |
384 | 4FA | 0.8671 |
385 | F9P | 0.8670 |
386 | MPP | 0.8670 |
387 | 3IP | 0.8670 |
388 | LT1 | 0.8670 |
389 | 7OD | 0.8669 |
390 | TT4 | 0.8668 |
391 | 5GU | 0.8666 |
392 | 23J | 0.8665 |
393 | HO6 | 0.8664 |
394 | A7K | 0.8663 |
395 | RES | 0.8662 |
396 | KPV | 0.8662 |
397 | X48 | 0.8660 |
398 | 5VL | 0.8660 |
399 | DJN | 0.8660 |
400 | DTE | 0.8657 |
401 | 36Y | 0.8649 |
402 | MUC | 0.8648 |
403 | 263 | 0.8648 |
404 | 42J | 0.8647 |
405 | DC5 | 0.8646 |
406 | LDP | 0.8645 |
407 | SQP | 0.8637 |
408 | 1WC | 0.8637 |
409 | S46 | 0.8636 |
410 | 41K | 0.8633 |
411 | 258 | 0.8633 |
412 | TMG | 0.8633 |
413 | 3H2 | 0.8632 |
414 | 78U | 0.8631 |
415 | LJ4 | 0.8630 |
416 | A8K | 0.8628 |
417 | HMS | 0.8622 |
418 | CUH | 0.8620 |
419 | NMM | 0.8620 |
420 | CC5 | 0.8615 |
421 | 1FF | 0.8614 |
422 | 2QC | 0.8611 |
423 | R20 | 0.8608 |
424 | IWT | 0.8607 |
425 | 4EU | 0.8606 |
426 | NVU | 0.8602 |
427 | 3EB | 0.8601 |
428 | 1Z8 | 0.8600 |
429 | 7UZ | 0.8599 |
430 | T2D | 0.8595 |
431 | I3E | 0.8585 |
432 | BP6 | 0.8585 |
433 | SDD | 0.8576 |
434 | 88L | 0.8574 |
435 | 6FG | 0.8567 |
436 | GC3 | 0.8566 |
437 | 2IT | 0.8564 |
438 | 23N | 0.8564 |
439 | AHL | 0.8560 |
440 | M3P | 0.8559 |
441 | S0G | 0.8559 |
442 | 152 | 0.8549 |
443 | 69K | 0.8549 |
444 | GF4 | 0.8546 |
445 | ZON | 0.8545 |
446 | NGT | 0.8535 |
447 | R9S | 0.8519 |
This union binding pocket(no: 1) in the query (biounit: 4wq2.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3TDC | 0EU | 8.67052 |
This union binding pocket(no: 2) in the query (biounit: 4wq2.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |