Receptor
PDB id Resolution Class Description Source Keywords
6T82 1.46 Å EC: 3.6.1.15 3C-LIKE PROTEASE FROM SOUTHAMPTON VIRUS COMPLEXED WITH FMOPL SOUTHAMPTON VIRUS (STRAIN GI/HUMAN/UNIKINGDOM/SOUTHAMPTON/1991) VIRAL PROTEASE. HYDROLASE
Ref.: IN CRYSTALLO-SCREENING FOR DISCOVERY OF HUMAN NOROV 3C-LIKE PROTEASE INHIBITORS. J STRUCT BIOL X V. 4 00031 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS A:201;
Invalid;
none;
submit data
78.133 C2 H6 O S CS(=O...
MUK B:201;
Valid;
none;
submit data
199.252 C12 H13 N3 Cc1cc...
PO4 A:202;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6T82 1.46 Å EC: 3.6.1.15 3C-LIKE PROTEASE FROM SOUTHAMPTON VIRUS COMPLEXED WITH FMOPL SOUTHAMPTON VIRUS (STRAIN GI/HUMAN/UNIKINGDOM/SOUTHAMPTON/1991) VIRAL PROTEASE. HYDROLASE
Ref.: IN CRYSTALLO-SCREENING FOR DISCOVERY OF HUMAN NOROV 3C-LIKE PROTEASE INHIBITORS. J STRUCT BIOL X V. 4 00031 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 6T82 - MUK C12 H13 N3 Cc1cc(nc(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 6T82 - MUK C12 H13 N3 Cc1cc(nc(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 6T82 - MUK C12 H13 N3 Cc1cc(nc(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MUK; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MUK 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: MUK; Similar ligands found: 557
No: Ligand Similarity coefficient
1 3D8 0.9501
2 GZ2 0.9491
3 6J5 0.9467
4 XQI 0.9459
5 7ZL 0.9432
6 CMU 0.9407
7 RE4 0.9406
8 M3E 0.9398
9 BZE 0.9393
10 0SY 0.9392
11 C0H 0.9343
12 LJ4 0.9339
13 2LT 0.9337
14 3Y7 0.9336
15 4GU 0.9335
16 LJ3 0.9328
17 0OO 0.9323
18 BPY 0.9285
19 AX4 0.9283
20 9JT 0.9265
21 BGU 0.9260
22 6FB 0.9258
23 S60 0.9243
24 6HO 0.9243
25 XCG 0.9232
26 SOJ 0.9230
27 MXD 0.9221
28 H35 0.9212
29 H4B 0.9212
30 344 0.9201
31 FER 0.9201
32 BQ5 0.9196
33 X48 0.9195
34 28B 0.9194
35 AOY 0.9192
36 FZM 0.9188
37 4XF 0.9188
38 KWB 0.9183
39 X11 0.9181
40 BP7 0.9180
41 5AD 0.9175
42 KF5 0.9173
43 1VK 0.9172
44 LR2 0.9167
45 DAH 0.9164
46 V2Z 0.9161
47 GNW 0.9161
48 78Y 0.9148
49 A5H 0.9146
50 ZSP 0.9146
51 1Z6 0.9144
52 LL1 0.9144
53 P80 0.9139
54 92O 0.9136
55 WS7 0.9133
56 L22 0.9130
57 DXK 0.9129
58 BBY 0.9126
59 2PV 0.9119
60 6Q3 0.9113
61 P4T 0.9113
62 CX6 0.9109
63 AYS 0.9108
64 ZME 0.9108
65 3VX 0.9106
66 6NZ 0.9106
67 SZ7 0.9100
68 AQ1 0.9096
69 CC5 0.9096
70 EQW 0.9096
71 ZRK 0.9094
72 S7V 0.9091
73 28A 0.9089
74 QIV 0.9088
75 2PK 0.9088
76 92G 0.9084
77 XDK 0.9082
78 C53 0.9079
79 A4V 0.9071
80 JCZ 0.9067
81 KTW 0.9059
82 XIF XYP 0.9058
83 M6H 0.9057
84 38E 0.9055
85 B4O 0.9054
86 4F8 0.9044
87 4FF 0.9042
88 H2B 0.9041
89 JAH 0.9040
90 5E5 0.9039
91 5FL 0.9039
92 C4E 0.9039
93 5F8 0.9037
94 FNA 0.9032
95 R9G 0.9032
96 ESI 0.9030
97 VBC 0.9025
98 GO8 0.9023
99 THM 0.9020
100 MMJ 0.9017
101 AUY 0.9016
102 QC1 0.9016
103 LUM 0.9014
104 XI7 0.9014
105 5B2 0.9011
106 PRL 0.9011
107 ANC 0.9010
108 MIL 0.9007
109 5P3 0.9005
110 14W 0.9005
111 R2P 0.9005
112 UKV 0.9004
113 OCZ 0.9002
114 4FP 0.9001
115 DUR 0.9000
116 S0D 0.8997
117 HJH 0.8995
118 MPV 0.8995
119 LVD 0.8994
120 WL3 0.8993
121 977 0.8993
122 WCU 0.8992
123 6QF 0.8990
124 M02 0.8990
125 HBI 0.8988
126 NE2 0.8988
127 8G6 0.8988
128 VJJ 0.8988
129 X6W 0.8987
130 4HB 0.8984
131 4AB 0.8982
132 GJK 0.8980
133 S1D 0.8977
134 JSX 0.8977
135 JP2 0.8977
136 56N 0.8975
137 ERZ 0.8973
138 DI6 0.8973
139 A5E 0.8972
140 U13 0.8968
141 XYP XIF 0.8968
142 QME 0.8966
143 2D2 0.8966
144 MMS 0.8965
145 BIO 0.8964
146 AUV 0.8960
147 9UL 0.8960
148 6SD 0.8959
149 JGB 0.8958
150 AN3 0.8954
151 363 0.8954
152 2J5 0.8952
153 XDL XYP 0.8952
154 XIL 0.8952
155 BNL 0.8950
156 E3X 0.8950
157 M5H 0.8949
158 AZY 0.8949
159 6J9 0.8949
160 833 0.8947
161 DHC 0.8946
162 SQ7 0.8945
163 ENO 0.8942
164 AC2 0.8941
165 AX3 0.8940
166 S98 0.8938
167 BHS 0.8937
168 FWD 0.8937
169 RK4 0.8936
170 EZN 0.8934
171 8CV 0.8934
172 L5D 0.8931
173 IQQ 0.8928
174 MOK 0.8926
175 P1J 0.8926
176 Q4G 0.8922
177 AMR 0.8920
178 8HH 0.8919
179 TIA 0.8919
180 8NB 0.8918
181 3XH 0.8918
182 1FL 0.8916
183 HRM 0.8916
184 PIQ 0.8915
185 0UL 0.8915
186 WUB 0.8915
187 2WU 0.8914
188 3NF 0.8913
189 BZJ 0.8913
190 2K8 0.8912
191 K80 0.8912
192 V1T 0.8912
193 795 0.8912
194 X0U 0.8911
195 0FK 0.8911
196 FCW 0.8910
197 WS6 0.8907
198 Y3L 0.8907
199 L21 0.8906
200 NIY 0.8906
201 UL1 0.8906
202 G6P 0.8905
203 DCZ 0.8903
204 HHS 0.8903
205 GO2 0.8903
206 22L 0.8902
207 536 0.8901
208 JF8 0.8900
209 ZMG 0.8899
210 PPY 0.8897
211 RKV 0.8896
212 XRS 0.8895
213 M1Z 0.8893
214 BGP 0.8892
215 4V2 0.8892
216 A51 0.8891
217 GAT 0.8891
218 VXX 0.8891
219 G14 0.8890
220 B1J 0.8888
221 OA1 0.8887
222 SV4 0.8887
223 AJD 0.8885
224 5E4 0.8884
225 1A7 0.8883
226 HRD 0.8881
227 TR4 0.8879
228 F18 0.8879
229 4BL 0.8878
230 7AP 0.8877
231 9X3 0.8876
232 D2G 0.8875
233 XDN XYP 0.8875
234 XYP XDN 0.8875
235 2QU 0.8874
236 6J3 0.8872
237 IA2 0.8872
238 KYN 0.8871
239 C9M 0.8864
240 3VS 0.8863
241 SG2 0.8862
242 7PJ 0.8860
243 N0Z 0.8860
244 M6P 0.8858
245 CWD 0.8858
246 PE2 0.8858
247 DBQ 0.8858
248 TMG 0.8857
249 D3G 0.8856
250 2TU 0.8855
251 HNT 0.8854
252 ZEA 0.8852
253 0DF 0.8852
254 HA5 0.8852
255 4LW 0.8851
256 P2L 0.8849
257 XYP XYS 0.8849
258 4G2 0.8847
259 ESX 0.8847
260 PLP 0.8843
261 XYS XYS 0.8843
262 3B4 0.8840
263 2J1 0.8840
264 JMG 0.8838
265 6C5 0.8838
266 TYR 0.8836
267 5TZ 0.8835
268 MD6 0.8834
269 PCQ 0.8833
270 6HP 0.8831
271 0K7 0.8831
272 CH9 0.8830
273 GVY 0.8830
274 JG8 0.8828
275 ZHA 0.8827
276 HXY 0.8827
277 2QV 0.8826
278 5AE 0.8825
279 FHC 0.8825
280 3D1 0.8825
281 TRP 0.8822
282 ZRL 0.8822
283 3J8 0.8820
284 N7I 0.8820
285 2GD 0.8817
286 697 0.8814
287 JF1 0.8812
288 IWT 0.8811
289 5WT 0.8811
290 HC4 0.8808
291 8UY 0.8807
292 SQV 0.8806
293 F2W 0.8806
294 IYR 0.8803
295 H70 0.8803
296 50C 0.8803
297 YTX 0.8802
298 MBP 0.8802
299 ZYQ 0.8800
300 M5E 0.8800
301 68A 0.8799
302 N2M 0.8798
303 3VQ 0.8798
304 CK2 0.8798
305 BWD 0.8798
306 EXD 0.8797
307 AH9 0.8794
308 RA7 0.8790
309 B86 0.8790
310 PVQ 0.8788
311 XYP XYP 0.8787
312 27K 0.8787
313 ESP 0.8787
314 B2T 0.8786
315 TIZ 0.8786
316 5F5 0.8785
317 1SF 0.8783
318 9FG 0.8783
319 N1E 0.8780
320 THU 0.8778
321 EAT 0.8778
322 ID8 0.8777
323 0FR 0.8777
324 XTS 0.8775
325 K7H 0.8775
326 ZIP 0.8773
327 8D6 0.8773
328 ZZA 0.8772
329 W29 0.8772
330 TLF 0.8772
331 DBS 0.8769
332 URI 0.8769
333 PVK 0.8769
334 3R4 0.8768
335 C82 0.8767
336 SLS 0.8766
337 MUX 0.8764
338 PMP 0.8762
339 BG6 0.8762
340 IWD 0.8762
341 ONZ 0.8761
342 F5C 0.8760
343 A7Q 0.8759
344 7EH 0.8759
345 0W1 0.8758
346 1XS 0.8752
347 47V 0.8751
348 5BT 0.8749
349 DDU 0.8748
350 MUR 0.8747
351 7G2 0.8747
352 ZYR 0.8746
353 OUB 0.8745
354 QKU 0.8744
355 SWX 0.8742
356 WSD 0.8742
357 CIY 0.8741
358 LTN 0.8740
359 4R1 0.8740
360 NWD 0.8738
361 4FE 0.8738
362 AWE 0.8737
363 0DN 0.8735
364 UN4 0.8734
365 PQM 0.8734
366 8CC 0.8733
367 FCD 0.8733
368 PXP 0.8733
369 DTR 0.8732
370 SXX 0.8731
371 NE1 0.8731
372 MJW 0.8730
373 ALE 0.8729
374 878 0.8729
375 TYC 0.8728
376 J6W 0.8728
377 KLV 0.8728
378 ZEZ 0.8727
379 1KN 0.8727
380 N9J 0.8727
381 IOP 0.8727
382 L5V 0.8725
383 RGG 0.8725
384 2B4 0.8725
385 2QC 0.8723
386 0OK 0.8723
387 M78 0.8723
388 6QT 0.8719
389 KLE 0.8718
390 MFR 0.8718
391 DTY 0.8717
392 RSV 0.8713
393 WVV 0.8713
394 PBQ 0.8712
395 9FE 0.8712
396 IMK 0.8711
397 AVX 0.8710
398 CPW 0.8708
399 78P 0.8708
400 HBO 0.8707
401 041 0.8707
402 TA6 0.8706
403 2JX 0.8705
404 B5A 0.8703
405 HSX 0.8702
406 QBS 0.8701
407 WOE 0.8699
408 HX4 0.8699
409 4LV 0.8699
410 7I2 0.8697
411 RDM 0.8697
412 XYS XYP 0.8695
413 AH6 0.8695
414 12R 0.8695
415 AOT 0.8695
416 CTN 0.8695
417 GA2 0.8694
418 9F8 0.8693
419 IL5 0.8693
420 D6G 0.8692
421 FMQ 0.8691
422 FYR 0.8691
423 ARG 0.8687
424 CGW 0.8686
425 A5Q 0.8686
426 PJW 0.8686
427 S8G 0.8685
428 MCY 0.8683
429 6H2 0.8682
430 M6D 0.8682
431 6ZW 0.8681
432 ZYV 0.8680
433 AKD 0.8680
434 ID2 0.8677
435 ADN 0.8676
436 MR6 0.8676
437 GNG 0.8675
438 NIF 0.8673
439 6MW 0.8673
440 AMQ 0.8672
441 STT 0.8671
442 PHE 0.8671
443 F40 0.8671
444 8XL 0.8670
445 API 0.8670
446 GVG 0.8669
447 DT7 0.8668
448 KTJ 0.8667
449 CL9 0.8666
450 LZ5 0.8665
451 FHV 0.8665
452 TCC 0.8664
453 T2D 0.8664
454 ARJ 0.8662
455 NOC 0.8662
456 RP3 0.8661
457 CTE 0.8661
458 PLR 0.8659
459 L1T 0.8658
460 CLU 0.8657
461 NAG 0.8655
462 PH2 0.8655
463 549 0.8654
464 2LX 0.8653
465 9FL 0.8653
466 27M 0.8653
467 4CN 0.8652
468 SQM 0.8651
469 CPZ 0.8651
470 FDR 0.8651
471 0OP 0.8648
472 AZZ 0.8648
473 MSR 0.8648
474 A1Y 0.8647
475 AAN 0.8646
476 X0W 0.8645
477 N91 0.8645
478 UN3 0.8640
479 5V7 0.8640
480 SNU 0.8637
481 OLU 0.8635
482 5F1 0.8633
483 LR8 0.8633
484 56D 0.8630
485 3LJ 0.8629
486 CG8 0.8629
487 EWG 0.8628
488 NQ7 0.8626
489 0XT 0.8625
490 Q2S 0.8625
491 M45 0.8624
492 K48 0.8622
493 FT2 0.8622
494 ACE PHE 0.8622
495 DE3 0.8622
496 DHY 0.8619
497 2FA 0.8619
498 GMP 0.8618
499 TCA 0.8618
500 3L1 0.8618
501 ICB 0.8617
502 YZM 0.8617
503 IAC 0.8614
504 2O6 0.8613
505 A4D 0.8611
506 5CD 0.8609
507 F4K 0.8608
508 I5A 0.8607
509 SB9 0.8607
510 92P 0.8607
511 9PL 0.8606
512 NOS 0.8606
513 5N5 0.8606
514 FMC 0.8604
515 KP2 0.8604
516 5I5 0.8600
517 EN1 0.8598
518 TZF 0.8597
519 F01 0.8596
520 TOH 0.8596
521 ING 0.8595
522 36Y 0.8593
523 IK1 0.8591
524 NEU 0.8589
525 Q0K 0.8586
526 SHI 0.8583
527 7M2 0.8582
528 BTM 0.8580
529 JZA 0.8578
530 GLP 0.8578
531 HJ8 0.8578
532 PRO LEU 0.8575
533 5GT 0.8574
534 LFQ 0.8574
535 4I5 0.8573
536 TWO 0.8572
537 4I8 0.8572
538 1A5 0.8569
539 5VU 0.8564
540 2GQ 0.8564
541 5FD 0.8562
542 O2Y 0.8562
543 LI7 0.8556
544 GNM 0.8553
545 96Z 0.8548
546 D1G 0.8547
547 VUP 0.8547
548 P9I 0.8545
549 9BF 0.8544
550 IMH 0.8536
551 SCT 0.8535
552 NFZ 0.8533
553 NNH 0.8533
554 X6P 0.8533
555 FHI 0.8526
556 HNM 0.8525
557 4BX 0.8525
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6T82; Ligand: MUK; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6t82.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
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