Receptor
PDB id Resolution Class Description Source Keywords
6npi 1.5 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF EPSTEIN-BARR VIRUS NUCLEAR ANTIGEN-1, E BOUND TO FRAGMENTS EPSTEIN-BARR VIRUS (STRAIN B95-8) EBNA1 DNA BINDING PROTEIN EPSTEIN-BARR VIRUS VIRAL PROTEIPROTEIN-INHIBITOR COMPLEX
Ref.: STRUCTURE-BASED DESIGN OF SMALL-MOLECULE INHIBITORS DNA BINDING BLOCKS EPSTEIN-BARR VIRUS LATENT INFECT TUMOR GROWTH. SCI TRANSL MED V. 11 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KW1 B:702;
 Valid;
 Atoms found MORE than expected: % Diff = 2;
 submit data
309.137 C8 H9 Br N2 O4 S Cc1c(...
60Q B:701;
 Valid;
 none;
 submit data
187.195 C11 H9 N O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6NPM 1.6 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF EPSTEIN-BARR VIRUS NUCLEAR ANTIGEN-1, E BOUND TO FRAGMENTS EPSTEIN-BARR VIRUS (STRAIN B95-8) EBNA1 DNA BINDING PROTEIN EPSTEIN-BARR VIRUS VIRAL PROTEIPROTEIN-INHIBITOR COMPLEX
Ref.: STRUCTURE-BASED DESIGN OF SMALL-MOLECULE INHIBITORS DNA BINDING BLOCKS EPSTEIN-BARR VIRUS LATENT INFECT TUMOR GROWTH. SCI TRANSL MED V. 11 2019
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 6NPI - 60Q C11 H9 N O2 c1ccc(c(c1....
2 6VH6 Kd ~ 4 mM QX4 C10 H8 O3 Cc1ccc2c(c....
3 6NPM Ki = 110 uM KVD C14 H9 N O2 c1ccc(cc1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 6NPI - 60Q C11 H9 N O2 c1ccc(c(c1....
2 6VH6 Kd ~ 4 mM QX4 C10 H8 O3 Cc1ccc2c(c....
3 6NPM Ki = 110 uM KVD C14 H9 N O2 c1ccc(cc1)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 6NPI - 60Q C11 H9 N O2 c1ccc(c(c1....
2 6VH6 Kd ~ 4 mM QX4 C10 H8 O3 Cc1ccc2c(c....
3 6NPM Ki = 110 uM KVD C14 H9 N O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: KW1; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 KW1 1 1
Ligand no: 2; Ligand: 60Q; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 60Q 1 1
2 LT8 0.5 0.783784
Similar Ligands (3D)
Ligand no: 1; Ligand: KW1; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: 60Q; Similar ligands found: 493
No: Ligand Similarity coefficient
1 BPS 0.9706
2 6XI 0.9683
3 Z5P 0.9683
4 61O 0.9667
5 F69 0.9499
6 OBP 0.9465
7 49N 0.9419
8 ZZ8 0.9407
9 52C 0.9396
10 692 0.9392
11 EVA 0.9376
12 49O 0.9372
13 NTM 0.9364
14 K2P 0.9363
15 091 0.9359
16 8GK 0.9359
17 XQK 0.9347
18 QM1 0.9338
19 2ZQ 0.9338
20 AIN 0.9333
21 B2Y 0.9319
22 N2Z 0.9301
23 PHT 0.9298
24 6W6 0.9288
25 PRZ 0.9286
26 A9O 0.9272
27 NCD 0.9267
28 97T 0.9265
29 GJS 0.9262
30 GCU 0.9248
31 BGC 0.9237
32 J9Q 0.9235
33 GM7 0.9231
34 GCB 0.9205
35 YQA 0.9199
36 4ME 0.9199
37 JKZ 0.9199
38 9PY 0.9196
39 BDP 0.9187
40 KLW 0.9187
41 5NS 0.9184
42 9X5 0.9183
43 NQM 0.9180
44 M3S 0.9180
45 S3B 0.9177
46 5VJ 0.9176
47 1WC 0.9171
48 QIC 0.9168
49 GTC 0.9163
50 4KL 0.9163
51 KYA 0.9161
52 HNQ 0.9155
53 Q6T 0.9154
54 SQP 0.9152
55 ONR 0.9151
56 URC 0.9149
57 VK3 0.9148
58 5WY 0.9147
59 LSA 0.9147
60 1FF 0.9143
61 2F6 0.9143
62 M4B 0.9142
63 PX7 0.9140
64 AKH 0.9138
65 INE 0.9136
66 KFH 0.9136
67 0F9 0.9133
68 GZ8 0.9132
69 QQQ 0.9123
70 NLA 0.9122
71 6VD 0.9121
72 AVI 0.9116
73 HHT 0.9113
74 MOK 0.9111
75 DQA 0.9108
76 BCK 0.9106
77 GOG 0.9106
78 UAN 0.9103
79 7ZE 0.9098
80 7VS 0.9097
81 87L 0.9090
82 CCB 0.9088
83 DC5 0.9088
84 9KH 0.9085
85 UFV 0.9083
86 ICO 0.9079
87 V6F 0.9077
88 67X 0.9077
89 JTH 0.9076
90 G5V 0.9076
91 OMD 0.9073
92 OA3 0.9070
93 MPK 0.9069
94 23J 0.9069
95 89J 0.9067
96 C2Y 0.9067
97 N3W 0.9065
98 FA3 0.9062
99 FA6 0.9061
100 M0Q 0.9056
101 NVU 0.9056
102 LZ2 0.9054
103 PDC 0.9053
104 S7B 0.9047
105 92K 0.9045
106 DNC 0.9042
107 4HC 0.9042
108 FBG 0.9041
109 512 0.9038
110 CKX 0.9036
111 J9W 0.9036
112 34D 0.9032
113 J01 0.9032
114 5NE 0.9029
115 8XQ 0.9027
116 QX4 0.9023
117 GDE 0.9022
118 NFQ 0.9022
119 57O 0.9021
120 ICT 0.9020
121 4XV 0.9017
122 QAT 0.9011
123 QAS 0.9010
124 QPR 0.9007
125 M1Q 0.9001
126 TRC 0.9000
127 2LY 0.9000
128 DHK 0.9000
129 R9S 0.9000
130 5OF 0.9000
131 GTR 0.8998
132 F12 0.8998
133 IPZ 0.8994
134 G3F 0.8993
135 20J 0.8992
136 M0W 0.8990
137 TQU 0.8989
138 8TX 0.8989
139 2D3 0.8988
140 ENL 0.8987
141 0GY 0.8984
142 NLQ 0.8983
143 MHK 0.8983
144 Q71 0.8983
145 1XA 0.8982
146 42C 0.8981
147 M1H 0.8976
148 M5N 0.8976
149 A13 0.8974
150 UEG 0.8973
151 L7T 0.8973
152 DNA 0.8972
153 BPY 0.8972
154 ODO 0.8971
155 GLC 0.8970
156 HLD 0.8970
157 MQB 0.8969
158 IJZ 0.8966
159 CIT 0.8962
160 CP7 0.8962
161 IAC 0.8962
162 SXS 0.8961
163 2AL 0.8961
164 NZ2 0.8957
165 BK9 0.8954
166 1Z8 0.8954
167 9DG 0.8954
168 Q7A 0.8948
169 12B 0.8946
170 SKM 0.8944
171 A9P 0.8942
172 A1Y 0.8940
173 DQU 0.8940
174 NID 0.8939
175 6DP 0.8939
176 VNL 0.8939
177 XAN 0.8938
178 8S0 0.8938
179 PE0 0.8934
180 IBM 0.8931
181 5RN 0.8930
182 KIB 0.8926
183 O2A 0.8925
184 TRA 0.8924
185 GTQ 0.8924
186 DOR 0.8918
187 AQO 0.8918
188 39U 0.8918
189 7WR 0.8915
190 44W 0.8914
191 LT3 0.8914
192 GUN 0.8913
193 GCS 0.8911
194 GV9 0.8911
195 4XS 0.8911
196 AM1 0.8910
197 OTD 0.8909
198 AJ2 0.8909
199 QMS 0.8909
200 GAL 0.8909
201 NTZ 0.8907
202 7NI 0.8907
203 ORO 0.8906
204 M1E 0.8906
205 6NT 0.8903
206 NZ3 0.8902
207 15N 0.8902
208 FOT 0.8901
209 FLC 0.8900
210 HJP 0.8900
211 CH9 0.8900
212 5WU 0.8898
213 B62 0.8892
214 AZ8 0.8891
215 0GZ 0.8890
216 TT4 0.8889
217 CBF 0.8889
218 791 0.8889
219 AY4 0.8888
220 L13 0.8887
221 293 0.8887
222 HA7 0.8887
223 JR2 0.8887
224 RXA 0.8886
225 HXX 0.8884
226 PJW 0.8883
227 NQ 0.8883
228 1F1 0.8882
229 92P 0.8881
230 DBJ 0.8880
231 FE DB1 0.8878
232 LGC 0.8874
233 44V 0.8874
234 D1X 0.8873
235 FXH 0.8873
236 MS9 0.8872
237 ADA 0.8871
238 JRB 0.8869
239 MEW 0.8869
240 680 0.8868
241 BEA 0.8868
242 M2K 0.8868
243 AVJ 0.8867
244 RM1 0.8867
245 E7Z 0.8863
246 9MG 0.8863
247 LDR 0.8862
248 M6N 0.8861
249 H6B 0.8859
250 GZQ 0.8859
251 NBG 0.8859
252 SHA 0.8857
253 8VE 0.8857
254 AZA 0.8856
255 6J9 0.8855
256 TSR 0.8855
257 IOS 0.8854
258 3FH 0.8854
259 6ME 0.8854
260 9TZ 0.8853
261 M5K 0.8852
262 PEY 0.8848
263 QBK 0.8848
264 0LH 0.8848
265 DNB 0.8847
266 GT0 0.8844
267 NCT 0.8844
268 0HN 0.8842
269 AX3 0.8837
270 NIG 0.8835
271 2CL 0.8834
272 IGA 0.8832
273 TSS 0.8832
274 FA0 0.8830
275 2ZM 0.8829
276 H5B 0.8828
277 DBH 0.8827
278 EA1 0.8824
279 EJZ 0.8824
280 WOE 0.8823
281 3MG 0.8823
282 141 0.8821
283 3C2 0.8820
284 46P 0.8817
285 EV0 0.8817
286 4TU 0.8815
287 M3Q 0.8807
288 7MX 0.8806
289 CN0 0.8806
290 1AL 0.8803
291 9AP 0.8803
292 6BL 0.8802
293 5NI 0.8801
294 2FY 0.8800
295 TVP 0.8800
296 Q24 0.8799
297 0JD 0.8798
298 6AP 0.8797
299 HLZ 0.8795
300 3F0 0.8794
301 TWO 0.8793
302 329 0.8792
303 EYK 0.8791
304 GTZ 0.8787
305 KIF 0.8786
306 3C1 0.8786
307 JKE 0.8786
308 3HA 0.8786
309 S2T 0.8785
310 1A7 0.8784
311 IPM 0.8783
312 APZ 0.8781
313 F6P 0.8776
314 DOB 0.8776
315 SQ7 0.8775
316 A2F 0.8773
317 II6 0.8771
318 BTY 0.8771
319 ATH 0.8771
320 GLY PRO 0.8770
321 XAZ 0.8770
322 BE2 0.8769
323 GVG 0.8767
324 X8D 0.8764
325 1XM 0.8764
326 1U1 0.8764
327 X8Z 0.8764
328 15L 0.8763
329 IPB 0.8763
330 SV4 0.8763
331 GTL 0.8762
332 209 0.8761
333 7CT 0.8761
334 DBX 0.8760
335 GLY LEU 0.8759
336 4MU 0.8759
337 PXL 0.8758
338 75K 0.8758
339 FBU 0.8756
340 B55 0.8754
341 8VN 0.8749
342 5RG 0.8748
343 HA5 0.8747
344 GCV 0.8746
345 GIM 0.8746
346 4M0 0.8744
347 FP1 0.8744
348 3TJ 0.8743
349 B5D 0.8743
350 YH7 0.8743
351 GCW 0.8743
352 CDV 0.8742
353 U2Z 0.8741
354 DRL 0.8741
355 KIA 0.8741
356 D07 0.8740
357 5CU 0.8739
358 MBG 0.8739
359 8NX 0.8738
360 T9G 0.8737
361 2CG 0.8736
362 TTY 0.8736
363 96R 0.8736
364 5VL 0.8735
365 2FG 0.8735
366 DX4 0.8733
367 PXM 0.8732
368 AZ9 0.8730
369 GLA 0.8729
370 NAG 0.8728
371 290 0.8726
372 1X7 0.8725
373 CKA 0.8724
374 3M0 0.8724
375 KBG 0.8723
376 W8G 0.8722
377 FGZ 0.8722
378 K3Q 0.8717
379 5JQ 0.8714
380 AZG 0.8710
381 KDO 0.8707
382 3AL 0.8703
383 HTP 0.8703
384 XFE 0.8702
385 X09 0.8701
386 BOA 0.8697
387 XHP 0.8697
388 ASC 0.8695
389 H33 0.8694
390 C9E 0.8693
391 AN0 0.8691
392 OQC 0.8691
393 149 0.8691
394 4AA 0.8690
395 C4L 0.8690
396 9UL 0.8688
397 2MN 0.8688
398 SLC 0.8686
399 8WZ 0.8683
400 6HX 0.8681
401 61M 0.8681
402 790 0.8681
403 7A3 0.8679
404 AEZ 0.8679
405 2H5 0.8679
406 2D0 0.8679
407 M5E 0.8678
408 FDB 0.8675
409 MUA 0.8674
410 54G 0.8673
411 M5H 0.8671
412 SR4 0.8669
413 5M0 0.8667
414 CFP 0.8666
415 8G0 0.8665
416 C2U 0.8665
417 HCA 0.8665
418 B60 0.8665
419 FHN 0.8662
420 4JT 0.8661
421 LZM 0.8658
422 XH2 0.8655
423 UNC 0.8655
424 0FO 0.8654
425 2B4 0.8653
426 261 0.8652
427 GBN 0.8651
428 FB1 0.8650
429 GIV 0.8648
430 1QP 0.8648
431 3A9 0.8643
432 06B 0.8642
433 M4E 0.8642
434 GF4 0.8642
435 NGO 0.8641
436 BHA 0.8640
437 MAG 0.8640
438 GOX 0.8640
439 ALA PRO 0.8635
440 ACE PHE 0.8635
441 I59 0.8634
442 IP0 0.8633
443 CP6 0.8632
444 JF6 0.8631
445 7ME 0.8630
446 LAO 0.8629
447 VOH 0.8627
448 SQ4 0.8627
449 54X 0.8626
450 MVN 0.8625
451 OTW 0.8625
452 5PX 0.8623
453 787 0.8621
454 OSB 0.8620
455 6CS 0.8618
456 7HQ 0.8615
457 1GN 0.8613
458 ARP 0.8610
459 7WV 0.8609
460 MAN 0.8607
461 3SK 0.8605
462 5FN 0.8604
463 ZOL 0.8604
464 42A 0.8603
465 2J9 0.8602
466 SOR 0.8598
467 MO8 0.8594
468 RUY 0.8589
469 GDL 0.8586
470 5JL 0.8582
471 SVD 0.8580
472 0FK 0.8578
473 505 0.8578
474 4Z4 0.8574
475 4SV 0.8574
476 N8Z 0.8572
477 8ZE 0.8568
478 EMZ 0.8566
479 5MK 0.8564
480 2KA 0.8564
481 SYR 0.8563
482 5ZZ 0.8561
483 YIO 0.8555
484 SWA 0.8549
485 BY5 0.8549
486 6R8 0.8549
487 FBV 0.8548
488 977 0.8543
489 CLU 0.8540
490 FTV 0.8539
491 MAQ 0.8539
492 IPT 0.8526
493 T2D 0.8524
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6NPM; Ligand: KVD; 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: 6npm.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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