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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 28 families. | |||||
1 | 3F81 | ic50 = 0.074 uM | STT | C27 H20 F N3 O5 S3 | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 18 families. | |||||
1 | 3F81 | ic50 = 0.074 uM | STT | C27 H20 F N3 O5 S3 | c1ccc(cc1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | STT | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MP5 | 0.9578 |
2 | SG2 | 0.9407 |
3 | TU0 | 0.9384 |
4 | PLP | 0.9370 |
5 | PLR | 0.9324 |
6 | 2HC | 0.9288 |
7 | PMP | 0.9257 |
8 | PXP | 0.9252 |
9 | G6P | 0.9240 |
10 | P7Y | 0.9235 |
11 | HSX | 0.9216 |
12 | 6HP | 0.9214 |
13 | CFA | 0.9204 |
14 | KTW | 0.9202 |
15 | ESI | 0.9200 |
16 | 0W1 | 0.9195 |
17 | F06 | 0.9194 |
18 | PLP PMP | 0.9193 |
19 | N2M | 0.9192 |
20 | 5WN | 0.9171 |
21 | 61M | 0.9142 |
22 | EXD | 0.9141 |
23 | 505 | 0.9139 |
24 | A5P | 0.9128 |
25 | X04 | 0.9124 |
26 | NPL | 0.9124 |
27 | DEZ | 0.9119 |
28 | GT1 | 0.9118 |
29 | 5OO | 0.9116 |
30 | AMQ | 0.9115 |
31 | TB8 | 0.9114 |
32 | BG6 | 0.9111 |
33 | 8NX | 0.9109 |
34 | A6P | 0.9106 |
35 | AX3 | 0.9104 |
36 | ZZ2 | 0.9103 |
37 | G1P | 0.9091 |
38 | 1QV | 0.9089 |
39 | D6G | 0.9088 |
40 | DI6 | 0.9086 |
41 | SBK | 0.9082 |
42 | S24 | 0.9080 |
43 | RP5 | 0.9076 |
44 | SKF | 0.9067 |
45 | IOS | 0.9065 |
46 | FF2 | 0.9065 |
47 | 6Q3 | 0.9063 |
48 | E4P | 0.9062 |
49 | 4R1 | 0.9057 |
50 | S3C | 0.9053 |
51 | RES | 0.9052 |
52 | NQH | 0.9047 |
53 | FTV | 0.9046 |
54 | MAJ | 0.9044 |
55 | M6P | 0.9042 |
56 | BY5 | 0.9036 |
57 | QMS | 0.9034 |
58 | YO5 | 0.9034 |
59 | 1X4 | 0.9033 |
60 | EVF | 0.9030 |
61 | HPT | 0.9028 |
62 | ABF | 0.9025 |
63 | DER | 0.9024 |
64 | BPY | 0.9021 |
65 | KYN | 0.9016 |
66 | JTH | 0.9014 |
67 | MES | 0.9014 |
68 | TWO | 0.9013 |
69 | R52 | 0.9012 |
70 | R5P | 0.9011 |
71 | CLU | 0.9010 |
72 | 5RP | 0.9008 |
73 | V1T | 0.9006 |
74 | 54X | 0.9004 |
75 | R20 | 0.8999 |
76 | ZEC | 0.8998 |
77 | F52 | 0.8996 |
78 | IL5 | 0.8994 |
79 | 2O6 | 0.8992 |
80 | P80 | 0.8991 |
81 | JR2 | 0.8981 |
82 | PBA | 0.8981 |
83 | GLP | 0.8972 |
84 | TCA | 0.8971 |
85 | BGP | 0.8971 |
86 | L21 | 0.8971 |
87 | AY4 | 0.8971 |
88 | 1A7 | 0.8965 |
89 | NFM | 0.8965 |
90 | 3VX | 0.8961 |
91 | N3W | 0.8960 |
92 | 9BF | 0.8957 |
93 | KYA | 0.8953 |
94 | QUS | 0.8951 |
95 | 6DP | 0.8948 |
96 | F6P | 0.8948 |
97 | IOP | 0.8942 |
98 | 9F8 | 0.8941 |
99 | P9E | 0.8941 |
100 | B4O | 0.8941 |
101 | DHC | 0.8931 |
102 | 12T | 0.8930 |
103 | M1Z | 0.8930 |
104 | HJH | 0.8927 |
105 | 0FK | 0.8923 |
106 | F34 | 0.8922 |
107 | M6D | 0.8921 |
108 | 4XF | 0.8919 |
109 | IAC | 0.8919 |
110 | CCV | 0.8918 |
111 | XFE | 0.8918 |
112 | HC4 | 0.8917 |
113 | XIZ | 0.8915 |
114 | R1P | 0.8914 |
115 | 2LT | 0.8913 |
116 | TSR | 0.8912 |
117 | 790 | 0.8908 |
118 | 2GQ | 0.8901 |
119 | I4D | 0.8899 |
120 | P0P | 0.8899 |
121 | 36E | 0.8898 |
122 | IPD | 0.8896 |
123 | 6J9 | 0.8896 |
124 | 344 | 0.8894 |
125 | M5H | 0.8889 |
126 | APS | 0.8887 |
127 | ZME | 0.8885 |
128 | O2Y | 0.8885 |
129 | MD6 | 0.8885 |
130 | 3LJ | 0.8881 |
131 | YOF | 0.8881 |
132 | MXD | 0.8879 |
133 | DDU | 0.8877 |
134 | FER | 0.8877 |
135 | 363 | 0.8875 |
136 | NAG | 0.8873 |
137 | 3IL | 0.8872 |
138 | ESP | 0.8871 |
139 | AMR | 0.8869 |
140 | GO8 | 0.8867 |
141 | DTR | 0.8866 |
142 | LSQ | 0.8866 |
143 | TZP | 0.8865 |
144 | SDF | 0.8864 |
145 | TRP | 0.8863 |
146 | ESX | 0.8860 |
147 | ZON | 0.8858 |
148 | 8NB | 0.8858 |
149 | 22L | 0.8857 |
150 | F69 | 0.8856 |
151 | 8HC | 0.8854 |
152 | 3Y7 | 0.8846 |
153 | 4BL | 0.8846 |
154 | 67Y | 0.8844 |
155 | DAH | 0.8837 |
156 | B41 | 0.8837 |
157 | N7I | 0.8836 |
158 | YTX | 0.8835 |
159 | 8WO | 0.8833 |
160 | PO6 | 0.8833 |
161 | XQI | 0.8832 |
162 | LL1 | 0.8831 |
163 | 14W | 0.8828 |
164 | MMS | 0.8824 |
165 | 4OG | 0.8823 |
166 | XDK | 0.8819 |
167 | QIF | 0.8815 |
168 | 4BY | 0.8814 |
169 | 5GT | 0.8813 |
170 | SXX | 0.8813 |
171 | RP3 | 0.8812 |
172 | 1F1 | 0.8811 |
173 | FPL | 0.8810 |
174 | HWD | 0.8809 |
175 | EYV | 0.8809 |
176 | TA6 | 0.8807 |
177 | GFP | 0.8805 |
178 | 512 | 0.8804 |
179 | P81 | 0.8803 |
180 | 5OF | 0.8803 |
181 | GXG | 0.8803 |
182 | 6TZ | 0.8803 |
183 | L5V | 0.8802 |
184 | GO2 | 0.8802 |
185 | ZYR | 0.8801 |
186 | ARP | 0.8801 |
187 | ZIP | 0.8797 |
188 | OSB | 0.8797 |
189 | SLY | 0.8796 |
190 | 9UL | 0.8795 |
191 | 2F6 | 0.8794 |
192 | EUE | 0.8794 |
193 | 977 | 0.8794 |
194 | CIY | 0.8794 |
195 | PPY | 0.8791 |
196 | PRZ | 0.8791 |
197 | ALE | 0.8791 |
198 | BZ2 | 0.8790 |
199 | S2P | 0.8790 |
200 | JOV | 0.8789 |
201 | M3Q | 0.8788 |
202 | GRF | 0.8788 |
203 | 6J5 | 0.8787 |
204 | NPA | 0.8787 |
205 | R2P | 0.8787 |
206 | LIP | 0.8786 |
207 | K3Q | 0.8786 |
208 | F5C | 0.8786 |
209 | K25 | 0.8786 |
210 | MPV | 0.8785 |
211 | LTN | 0.8785 |
212 | ICB | 0.8784 |
213 | DCZ | 0.8784 |
214 | SYE | 0.8783 |
215 | IPT | 0.8783 |
216 | 4SX | 0.8782 |
217 | HCI | 0.8781 |
218 | NBG | 0.8780 |
219 | DXP | 0.8779 |
220 | 3ZB | 0.8778 |
221 | HQJ | 0.8777 |
222 | LVD | 0.8774 |
223 | GB4 | 0.8773 |
224 | HPP | 0.8770 |
225 | MPP | 0.8770 |
226 | N91 | 0.8769 |
227 | CH8 | 0.8766 |
228 | TNX | 0.8766 |
229 | AHC | 0.8764 |
230 | M3E | 0.8764 |
231 | CTE | 0.8762 |
232 | NLA | 0.8760 |
233 | C82 | 0.8759 |
234 | 68A | 0.8757 |
235 | PPT | 0.8757 |
236 | I2E | 0.8755 |
237 | K82 | 0.8754 |
238 | 428 | 0.8753 |
239 | 4XV | 0.8752 |
240 | GC3 | 0.8748 |
241 | GDL | 0.8747 |
242 | 7ZL | 0.8746 |
243 | AM4 | 0.8745 |
244 | TLM | 0.8743 |
245 | GJK | 0.8743 |
246 | CXH | 0.8743 |
247 | 6FZ | 0.8743 |
248 | 4CM | 0.8743 |
249 | 8U3 | 0.8742 |
250 | NOK | 0.8737 |
251 | BRH | 0.8736 |
252 | JND | 0.8735 |
253 | BZE | 0.8735 |
254 | H5B | 0.8734 |
255 | DC5 | 0.8732 |
256 | KG1 | 0.8730 |
257 | UNJ | 0.8728 |
258 | 4Z1 | 0.8727 |
259 | TT4 | 0.8727 |
260 | CH9 | 0.8726 |
261 | HHS | 0.8726 |
262 | GI3 | 0.8725 |
263 | EMZ | 0.8724 |
264 | GP1 | 0.8724 |
265 | 2FX | 0.8723 |
266 | F1X | 0.8722 |
267 | 0HN | 0.8721 |
268 | 9ZE | 0.8719 |
269 | VXX | 0.8719 |
270 | JP2 | 0.8719 |
271 | XCG | 0.8719 |
272 | S0W | 0.8718 |
273 | CKA | 0.8717 |
274 | GXD | 0.8716 |
275 | HA5 | 0.8715 |
276 | 4TP | 0.8715 |
277 | 15A | 0.8714 |
278 | NFA | 0.8714 |
279 | 4I8 | 0.8713 |
280 | SHI | 0.8710 |
281 | D1Y | 0.8710 |
282 | PHE | 0.8709 |
283 | TYR | 0.8708 |
284 | DTY | 0.8708 |
285 | DUR | 0.8708 |
286 | GZ2 | 0.8707 |
287 | 4NZ | 0.8706 |
288 | 2KU | 0.8706 |
289 | 3PG | 0.8705 |
290 | HG3 | 0.8705 |
291 | ENG | 0.8705 |
292 | 4KL | 0.8704 |
293 | PFF | 0.8704 |
294 | S0G | 0.8703 |
295 | 3B4 | 0.8700 |
296 | Q04 | 0.8696 |
297 | 263 | 0.8695 |
298 | LDP | 0.8695 |
299 | I59 | 0.8694 |
300 | JF2 | 0.8693 |
301 | JRB | 0.8693 |
302 | 4XS | 0.8693 |
303 | GF4 | 0.8692 |
304 | F12 | 0.8691 |
305 | X0V | 0.8690 |
306 | TOH | 0.8690 |
307 | HFA | 0.8689 |
308 | NCV | 0.8688 |
309 | 0HO | 0.8687 |
310 | JDN | 0.8687 |
311 | ONR | 0.8686 |
312 | A1Y | 0.8686 |
313 | SEP | 0.8683 |
314 | VNL | 0.8683 |
315 | 5SP | 0.8683 |
316 | 3DT | 0.8683 |
317 | 9FE | 0.8683 |
318 | MZM | 0.8681 |
319 | UFO | 0.8681 |
320 | EV0 | 0.8680 |
321 | DNF | 0.8680 |
322 | J0Z | 0.8680 |
323 | DX5 | 0.8678 |
324 | FDR | 0.8677 |
325 | RVE | 0.8677 |
326 | 1XA | 0.8677 |
327 | 15N | 0.8674 |
328 | 6NT | 0.8673 |
329 | CR1 | 0.8671 |
330 | YIE | 0.8671 |
331 | QZ8 | 0.8671 |
332 | MUK | 0.8671 |
333 | TSS | 0.8670 |
334 | PJW | 0.8669 |
335 | CUT | 0.8667 |
336 | KP6 | 0.8665 |
337 | 2ZM | 0.8664 |
338 | ZYQ | 0.8664 |
339 | EWG | 0.8664 |
340 | A9P | 0.8664 |
341 | TMG | 0.8663 |
342 | N9J | 0.8663 |
343 | YZM | 0.8663 |
344 | S0E | 0.8663 |
345 | HBI | 0.8662 |
346 | 7I2 | 0.8662 |
347 | BIO | 0.8659 |
348 | 8W9 | 0.8658 |
349 | AJD | 0.8657 |
350 | FWD | 0.8656 |
351 | PYU | 0.8655 |
352 | H35 | 0.8654 |
353 | 2JK | 0.8654 |
354 | HIC | 0.8653 |
355 | 52C | 0.8652 |
356 | GI1 | 0.8651 |
357 | 2K8 | 0.8651 |
358 | N2Z | 0.8651 |
359 | LEL | 0.8650 |
360 | UN1 | 0.8648 |
361 | EQA | 0.8647 |
362 | L22 | 0.8646 |
363 | BP3 | 0.8646 |
364 | 96R | 0.8642 |
365 | 535 | 0.8641 |
366 | JF1 | 0.8640 |
367 | AM1 | 0.8639 |
368 | AAN | 0.8638 |
369 | CSN | 0.8638 |
370 | AKG | 0.8638 |
371 | 1L5 | 0.8635 |
372 | JB8 | 0.8634 |
373 | GDE | 0.8633 |
374 | DNA | 0.8632 |
375 | H7Y | 0.8629 |
376 | ENO | 0.8629 |
377 | HL4 | 0.8629 |
378 | JAW | 0.8628 |
379 | CHQ | 0.8627 |
380 | NLQ | 0.8627 |
381 | 8WT | 0.8626 |
382 | YIP | 0.8626 |
383 | 3NY | 0.8624 |
384 | C2Y | 0.8624 |
385 | TYE | 0.8623 |
386 | QIV | 0.8622 |
387 | CWD | 0.8622 |
388 | DHY | 0.8620 |
389 | 0JD | 0.8616 |
390 | KF5 | 0.8614 |
391 | 97T | 0.8612 |
392 | GWM | 0.8612 |
393 | 96Z | 0.8610 |
394 | J9Q | 0.8608 |
395 | NDG | 0.8605 |
396 | A5E | 0.8602 |
397 | 2LP | 0.8602 |
398 | J6W | 0.8601 |
399 | 49O | 0.8601 |
400 | QSH | 0.8600 |
401 | C0H | 0.8600 |
402 | NIG | 0.8600 |
403 | HA6 | 0.8599 |
404 | F40 | 0.8599 |
405 | DEE | 0.8598 |
406 | 4FH | 0.8598 |
407 | DXK | 0.8597 |
408 | 4LW | 0.8597 |
409 | 4NP | 0.8596 |
410 | 1SS | 0.8596 |
411 | PH2 | 0.8593 |
412 | ABI | 0.8589 |
413 | HBO | 0.8589 |
414 | A29 | 0.8588 |
415 | ARG | 0.8588 |
416 | 89J | 0.8587 |
417 | 4NS | 0.8587 |
418 | UFV | 0.8586 |
419 | 1BN | 0.8586 |
420 | 0LH | 0.8585 |
421 | SRO | 0.8582 |
422 | YPN | 0.8580 |
423 | CPZ | 0.8580 |
424 | 1PS | 0.8580 |
425 | M3P | 0.8579 |
426 | 7MX | 0.8578 |
427 | SQ4 | 0.8576 |
428 | 692 | 0.8576 |
429 | 4WL | 0.8576 |
430 | ALX | 0.8575 |
431 | P4L | 0.8574 |
432 | HX4 | 0.8573 |
433 | 3C4 | 0.8573 |
434 | 2AL | 0.8570 |
435 | 6NI | 0.8566 |
436 | TZM | 0.8564 |
437 | BNL | 0.8564 |
438 | H4B | 0.8563 |
439 | 492 | 0.8561 |
440 | 8XL | 0.8560 |
441 | K80 | 0.8559 |
442 | THU | 0.8557 |
443 | MUR | 0.8555 |
444 | E7S | 0.8552 |
445 | BGU | 0.8552 |
446 | MS9 | 0.8550 |
447 | ROI | 0.8539 |
448 | GJP | 0.8539 |
449 | TYL | 0.8536 |
450 | HF2 | 0.8535 |
451 | 4BF | 0.8535 |
452 | 7WR | 0.8534 |
453 | IFG | 0.8528 |
454 | DNC | 0.8527 |
455 | IWT | 0.8522 |
456 | TXW | 0.8522 |
457 | IWD | 0.8518 |
458 | 2UZ | 0.8508 |
This union binding pocket(no: 1) in the query (biounit: 3f81.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4WOH | 4NP | 40.9639 |
This union binding pocket(no: 2) in the query (biounit: 3f81.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3f81.bio2) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4WOH | 4NP | 40.9639 |
This union binding pocket(no: 4) in the query (biounit: 3f81.bio2) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |