Receptor
PDB id Resolution Class Description Source Keywords
3UWK 1.91 Å EC: 2.7.4.9 STRUCTURE GUIDED DEVELOPMENT OF NOVEL THYMIDINE MIMETICS TAR PSEUDOMONAS AERUGINOSA THYMIDYLATE KINASE: FROM HIT TO LEADG ENERATION PSEUDOMONAS AERUGINOSA THYMIDYLATE KINASE KINASE THYMIDINE TRIPHOSPHATE TRANSFERTRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURE GUIDED DEVELOPMENT OF NOVEL THYMIDINE MIM TARGETING PSEUDOMONAS AERUGINOSA THYMIDYLATE KINASE HIT TO LEAD GENERATION. J.MED.CHEM. V. 55 852 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0DF A:800;
B:801;
Valid;
Valid;
none;
none;
ic50 = 58 uM
225.246 C13 H11 N3 O CN1c2...
MG A:213;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3UXM 1.95 Å EC: 2.7.4.9 STRUCTURE GUIDED DEVELOPMENT OF NOVEL THYMIDINE MIMETICS TAR PSEUDOMONAS AERUGINOSA THYMIDYLATE KINASE: FROM HIT TO LEADG ENERATION PSEUDOMONAS AERUGINOSA THYMIDYLATE KINASE THYMIDINE TRIPHOSPHATE TRANSFERASE-TRANINHIBITOR COMPLEX
Ref.: STRUCTURE GUIDED DEVELOPMENT OF NOVEL THYMIDINE MIM TARGETING PSEUDOMONAS AERUGINOSA THYMIDYLATE KINASE HIT TO LEAD GENERATION. J.MED.CHEM. V. 55 852 2012
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 3UWK ic50 = 58 uM 0DF C13 H11 N3 O CN1c2cc(cn....
2 3UWO ic50 = 0.44 uM 0DJ C14 H12 N4 O2 CN1c2cc(cn....
3 3UXM ic50 = 20 uM 0DN C10 H13 F N2 O4 CC1=CN(C(=....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 3UWK ic50 = 58 uM 0DF C13 H11 N3 O CN1c2cc(cn....
2 3UWO ic50 = 0.44 uM 0DJ C14 H12 N4 O2 CN1c2cc(cn....
3 3UXM ic50 = 20 uM 0DN C10 H13 F N2 O4 CC1=CN(C(=....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4QGA ic50 = 12 nM 31Z C24 H23 Cl F N3 O5 CC1=CN(C(=....
2 4HLD ic50 = 0.5 nM 16T C22 H22 Cl N3 O6 S CC1=CN(C(=....
3 4QGG ic50 = 1 nM 32C C28 H31 Cl F N3 O5 CC1=CN(C(=....
4 5TMP Kd = 34 nM Z5A C20 H24 N10 O22 P5 CC1=CN(C(=....
5 5ZB0 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
6 3UWK ic50 = 58 uM 0DF C13 H11 N3 O CN1c2cc(cn....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 0DF; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 0DF 1 1
2 0DJ 0.584615 0.9
Similar Ligands (3D)
Ligand no: 1; Ligand: 0DF; Similar ligands found: 809
No: Ligand Similarity coefficient
1 PIQ 1.0000
2 1HP 0.9849
3 5B2 0.9799
4 5E5 0.9669
5 0UL 0.9665
6 7EH 0.9659
7 2QU 0.9635
8 2QV 0.9625
9 5NN 0.9616
10 RSV 0.9607
11 F40 0.9594
12 7L4 0.9571
13 6DQ 0.9569
14 AP6 0.9546
15 C4E 0.9537
16 3GX 0.9514
17 5VU 0.9495
18 DXK 0.9489
19 5ZM 0.9484
20 Q0K 0.9473
21 A6W 0.9470
22 1V4 0.9459
23 RGK 0.9457
24 LWS 0.9454
25 H2W 0.9454
26 6QT 0.9454
27 D64 0.9454
28 833 0.9443
29 JCZ 0.9441
30 NYJ 0.9439
31 1V3 0.9428
32 2P3 0.9421
33 9JT 0.9416
34 KP2 0.9409
35 CDJ 0.9407
36 W8L 0.9406
37 KWB 0.9403
38 4CN 0.9401
39 D25 0.9400
40 0OK 0.9399
41 0SY 0.9395
42 P4L 0.9391
43 FCW 0.9386
44 0ON 0.9384
45 VT3 0.9380
46 68B 0.9379
47 M3W 0.9375
48 3F4 0.9372
49 DTR 0.9371
50 FT6 0.9368
51 LIG 0.9368
52 363 0.9357
53 9CE 0.9356
54 AVX 0.9355
55 3WL 0.9354
56 SZ5 0.9351
57 1Q4 0.9349
58 NKI 0.9348
59 4NR 0.9347
60 IQW 0.9345
61 3VQ 0.9345
62 5FL 0.9345
63 2GQ 0.9343
64 GEN 0.9339
65 ZRK 0.9335
66 E9L 0.9320
67 LR2 0.9319
68 4FF 0.9318
69 57D 0.9318
70 5S9 0.9318
71 LL1 0.9316
72 5F8 0.9315
73 3JC 0.9314
74 SNJ 0.9313
75 G14 0.9307
76 XI7 0.9299
77 PQM 0.9298
78 M78 0.9294
79 AUG 0.9293
80 QME 0.9289
81 6JO 0.9289
82 L2K 0.9289
83 2JX 0.9284
84 L1T 0.9283
85 25F 0.9281
86 5P3 0.9280
87 47V 0.9280
88 ZRL 0.9276
89 HH6 0.9275
90 DX2 0.9275
91 0LO 0.9274
92 4AU 0.9272
93 WLH 0.9269
94 5TZ 0.9269
95 1V1 0.9264
96 DFL 0.9263
97 IDZ 0.9263
98 52F 0.9263
99 0K7 0.9262
100 20D 0.9259
101 YE7 0.9259
102 FY8 0.9256
103 8CC 0.9255
104 3SU 0.9254
105 S0D 0.9254
106 272 0.9249
107 3D8 0.9248
108 RVE 0.9247
109 NIF 0.9247
110 DDC 0.9242
111 GJG 0.9241
112 K48 0.9241
113 5V7 0.9241
114 AUE 0.9237
115 S1D 0.9236
116 A73 0.9235
117 II4 0.9233
118 JSX 0.9229
119 9BF 0.9226
120 SQM 0.9225
121 1R5 0.9223
122 FYR 0.9223
123 OLU 0.9223
124 AJ4 0.9223
125 2D2 0.9221
126 LI7 0.9220
127 IQQ 0.9220
128 MIL 0.9214
129 TRP 0.9213
130 M4N 0.9212
131 1FE 0.9211
132 6P3 0.9206
133 KF5 0.9205
134 UAY 0.9204
135 ZSP 0.9203
136 TCR 0.9202
137 KLE 0.9201
138 IOP 0.9198
139 5AD 0.9197
140 RKV 0.9195
141 47X 0.9191
142 6XC 0.9190
143 4GU 0.9187
144 5WK 0.9186
145 L5D 0.9185
146 JMG 0.9185
147 WCU 0.9185
148 DE7 0.9184
149 6H2 0.9184
150 YE6 0.9181
151 DBE 0.9181
152 4Z9 0.9180
153 MR4 0.9179
154 3IL 0.9176
155 AJ1 0.9176
156 3QI 0.9173
157 ZZA 0.9173
158 YZ9 0.9171
159 EES 0.9169
160 H75 0.9167
161 ODK 0.9165
162 BVS 0.9165
163 1XS 0.9163
164 5TO 0.9163
165 EQW 0.9159
166 H4B 0.9153
167 JF5 0.9152
168 LFQ 0.9152
169 1FL 0.9150
170 OA4 0.9149
171 FHV 0.9145
172 6JM 0.9145
173 6FG 0.9143
174 7FZ 0.9139
175 PZX 0.9139
176 3DE 0.9138
177 AVA 0.9138
178 6C8 0.9135
179 AGI 0.9135
180 BIO 0.9134
181 NK5 0.9133
182 6C9 0.9132
183 E6Q 0.9132
184 49P 0.9130
185 VM1 0.9129
186 U13 0.9128
187 WVV 0.9128
188 A9B 0.9127
189 F18 0.9127
190 5WT 0.9127
191 AMR 0.9125
192 WG8 0.9123
193 BBY 0.9123
194 MR5 0.9123
195 UN3 0.9123
196 JGY 0.9122
197 AUV 0.9120
198 1DR 0.9120
199 NAL 0.9118
200 BP7 0.9117
201 FCD 0.9117
202 28A 0.9117
203 CBE 0.9116
204 P4T 0.9116
205 WDW 0.9116
206 G2V 0.9114
207 ZTW 0.9112
208 NEO 0.9111
209 3CA 0.9110
210 N1E 0.9109
211 5C1 0.9108
212 6C5 0.9105
213 5F5 0.9105
214 108 0.9104
215 O9T 0.9104
216 4AB 0.9098
217 8D6 0.9098
218 Q8G 0.9096
219 NWD 0.9095
220 7FU 0.9093
221 7G0 0.9092
222 4L2 0.9092
223 B5A 0.9091
224 90G 0.9090
225 ITE 0.9090
226 78Y 0.9087
227 LZ5 0.9086
228 RDV 0.9084
229 TI7 0.9082
230 TMG 0.9081
231 91F 0.9081
232 5ER 0.9074
233 PQS 0.9074
234 D26 0.9074
235 X48 0.9073
236 NU3 0.9072
237 XCG 0.9070
238 NAR 0.9070
239 3D3 0.9070
240 40N 0.9069
241 5OR 0.9066
242 245 0.9065
243 BJ4 0.9063
244 EV2 0.9063
245 FZM 0.9062
246 O9Z 0.9062
247 NIY 0.9059
248 6BK 0.9058
249 Q4G 0.9055
250 Q8D 0.9053
251 397 0.9052
252 MKN 0.9052
253 XYS XYS 0.9047
254 IIH 0.9046
255 DHC 0.9045
256 CUE 0.9044
257 5SJ 0.9043
258 FER 0.9043
259 22T 0.9042
260 C0V 0.9041
261 CWE 0.9040
262 LR8 0.9040
263 X2M 0.9039
264 CX6 0.9038
265 KMP 0.9038
266 QIV 0.9037
267 4FE 0.9037
268 7G2 0.9036
269 0FR 0.9034
270 DFV 0.9033
271 Y3L 0.9031
272 PRL 0.9031
273 4I8 0.9030
274 LJ4 0.9028
275 J84 0.9028
276 5H6 0.9026
277 1SF 0.9025
278 CC6 0.9025
279 LU2 0.9025
280 AOY 0.9025
281 SU9 0.9025
282 AJG 0.9024
283 BHS 0.9023
284 4ZF 0.9023
285 EST 0.9023
286 KW7 0.9022
287 0NJ 0.9020
288 O9Q 0.9019
289 LJ2 0.9019
290 122 0.9019
291 2UD 0.9018
292 97K 0.9015
293 RF2 0.9015
294 SGW 0.9014
295 CU8 0.9014
296 EWG 0.9014
297 2PV 0.9014
298 2PK 0.9012
299 HBI 0.9012
300 H2B 0.9012
301 4BX 0.9011
302 SOJ 0.9010
303 08C 0.9010
304 FHI 0.9009
305 H35 0.9009
306 1AJ 0.9008
307 96Z 0.9008
308 801 0.9007
309 120 0.9007
310 9FH 0.9002
311 LJ3 0.9001
312 5M2 0.9000
313 39Z 0.9000
314 WA1 0.8999
315 9UL 0.8997
316 EI1 0.8996
317 121 0.8996
318 EAT 0.8992
319 5TT 0.8992
320 4G2 0.8991
321 BMZ 0.8989
322 CR4 0.8989
323 5WW 0.8987
324 JF8 0.8986
325 789 0.8983
326 NEU 0.8983
327 38E 0.8982
328 XYP XYP 0.8982
329 8M5 0.8982
330 NPX 0.8982
331 ZHA 0.8981
332 LVY 0.8980
333 S8P 0.8979
334 124 0.8979
335 FF2 0.8977
336 39R 0.8977
337 HWB 0.8976
338 P7V 0.8975
339 LJ5 0.8973
340 3AK 0.8969
341 ZEA 0.8969
342 CX4 0.8969
343 92O 0.8969
344 7EL 0.8968
345 SSY 0.8967
346 15Q 0.8964
347 0MB 0.8963
348 EMU 0.8959
349 3WK 0.8957
350 BXZ 0.8957
351 PUE 0.8953
352 2FX 0.8953
353 CHQ 0.8953
354 JFS 0.8951
355 XEV 0.8951
356 1BW 0.8948
357 KLS 0.8948
358 JAH 0.8946
359 MJW 0.8944
360 LEL 0.8944
361 A5H 0.8943
362 J38 0.8943
363 22M 0.8942
364 VC3 0.8941
365 SJR 0.8941
366 2L1 0.8940
367 GB4 0.8939
368 1ER 0.8938
369 C0W 0.8938
370 697 0.8938
371 AJ6 0.8935
372 THM 0.8934
373 7LU 0.8933
374 IQZ 0.8932
375 3WN 0.8932
376 3WO 0.8932
377 EQU 0.8931
378 WV7 0.8930
379 SWX 0.8930
380 HWH 0.8926
381 ASE 0.8923
382 657 0.8923
383 51Y 0.8922
384 VUP 0.8922
385 B7H 0.8922
386 K7H 0.8921
387 NE2 0.8921
388 7PJ 0.8920
389 6DE 0.8918
390 DX7 0.8918
391 5WN 0.8917
392 U14 0.8915
393 5GV 0.8915
394 MR6 0.8913
395 ERZ 0.8913
396 CC5 0.8912
397 GJK 0.8912
398 A63 0.8911
399 KMY 0.8910
400 6FB 0.8908
401 NFZ 0.8906
402 JVD 0.8905
403 EQA 0.8903
404 G30 0.8902
405 A51 0.8901
406 WA2 0.8901
407 3VX 0.8900
408 EF2 0.8900
409 83D 0.8899
410 QUE 0.8899
411 BSU 0.8897
412 26C 0.8897
413 QS4 0.8897
414 AWE 0.8896
415 TID 0.8896
416 Q11 0.8895
417 22L 0.8894
418 GO2 0.8894
419 041 0.8894
420 4Z1 0.8892
421 U7E 0.8892
422 Y70 0.8890
423 Z21 0.8890
424 G6P 0.8889
425 NQ7 0.8889
426 0XR 0.8889
427 18E 0.8889
428 U4J 0.8885
429 NPS 0.8883
430 27M 0.8883
431 FC2 0.8883
432 MI2 0.8883
433 XDL XYP 0.8881
434 3RP 0.8880
435 1UZ 0.8879
436 HRM 0.8878
437 NRA 0.8876
438 MD6 0.8874
439 6MW 0.8873
440 LJ1 0.8872
441 IDD 0.8871
442 9XZ 0.8871
443 205 0.8871
444 6C4 0.8870
445 7MW 0.8870
446 Q92 0.8870
447 6TJ 0.8868
448 V1T 0.8868
449 42R 0.8867
450 NW1 0.8866
451 C53 0.8863
452 EVO 0.8860
453 E3X 0.8860
454 B4L 0.8858
455 FSE 0.8857
456 P93 0.8856
457 1EL 0.8856
458 7M5 0.8855
459 VJJ 0.8854
460 GO8 0.8854
461 PCQ 0.8853
462 3VS 0.8853
463 TJM 0.8853
464 3WJ 0.8852
465 MUK 0.8852
466 IPJ 0.8850
467 T98 0.8850
468 6ZW 0.8849
469 OUA 0.8848
470 7M2 0.8847
471 D9Z 0.8846
472 4UM 0.8844
473 3D1 0.8843
474 1ZC 0.8843
475 5XM 0.8843
476 OA1 0.8842
477 7O4 0.8842
478 CMG 0.8841
479 27F 0.8841
480 LTN 0.8841
481 2J1 0.8840
482 A05 0.8839
483 ADN 0.8839
484 RFZ 0.8839
485 KYN 0.8838
486 N91 0.8838
487 TVC 0.8836
488 LC1 0.8834
489 GJB 0.8834
490 2OX 0.8832
491 STV 0.8832
492 NE1 0.8832
493 F5C 0.8830
494 6EL 0.8830
495 FQX 0.8830
496 DBS 0.8830
497 KXN 0.8829
498 338 0.8829
499 613 0.8828
500 BIK 0.8826
501 27K 0.8825
502 4EU 0.8825
503 HMO 0.8824
504 72D 0.8823
505 A5Q 0.8823
506 VFM 0.8822
507 P2L 0.8820
508 FWD 0.8819
509 SNV 0.8818
510 1EB 0.8818
511 FMQ 0.8818
512 3VW 0.8816
513 OUG 0.8816
514 HNT 0.8815
515 IMK 0.8813
516 LFN 0.8812
517 TIA 0.8812
518 GB5 0.8811
519 W23 0.8811
520 7ZL 0.8810
521 PMM 0.8810
522 2LW 0.8809
523 4HB 0.8809
524 U55 0.8809
525 BXS 0.8808
526 1V8 0.8806
527 KCH 0.8804
528 MQR 0.8803
529 2UV 0.8801
530 V2Z 0.8800
531 S62 0.8800
532 68C 0.8799
533 R4E 0.8797
534 ZIP 0.8797
535 LZ4 0.8795
536 D1Y 0.8794
537 NY4 0.8793
538 IW1 0.8793
539 ESJ 0.8793
540 5O6 0.8791
541 1HR 0.8790
542 JTF 0.8790
543 CL9 0.8790
544 VGS 0.8790
545 FL8 0.8789
546 3CX 0.8788
547 23M 0.8788
548 X0T 0.8787
549 B2L 0.8786
550 MFR 0.8785
551 J3Z 0.8785
552 IWD 0.8785
553 GZV 0.8784
554 6VW 0.8784
555 C82 0.8783
556 FZ0 0.8778
557 6KT 0.8778
558 AZY 0.8777
559 LUM 0.8775
560 H32 0.8774
561 A8D 0.8774
562 XYS XYP 0.8771
563 FBC 0.8771
564 PLP 0.8770
565 1OT 0.8769
566 20N 0.8769
567 4P9 0.8768
568 R18 0.8767
569 KU1 0.8764
570 B1J 0.8763
571 DH2 0.8763
572 9KZ 0.8762
573 28B 0.8762
574 NDD 0.8762
575 MRI 0.8761
576 BWD 0.8761
577 TEF 0.8759
578 Q9T 0.8758
579 HUL 0.8758
580 90M 0.8758
581 6DH 0.8757
582 OSY 0.8756
583 78U 0.8756
584 8Y7 0.8756
585 DRG 0.8755
586 ESZ 0.8755
587 TES 0.8755
588 XZ1 0.8753
589 FX5 0.8753
590 S98 0.8753
591 2WU 0.8753
592 SYE 0.8752
593 17M 0.8751
594 ISC 0.8750
595 B21 0.8750
596 3UG 0.8749
597 HC4 0.8749
598 54E 0.8749
599 DCF 0.8749
600 H0V 0.8749
601 KLV 0.8748
602 BG6 0.8746
603 8V8 0.8745
604 RKY 0.8745
605 F4K 0.8745
606 IBP 0.8744
607 CWD 0.8743
608 BZC 0.8743
609 C0H 0.8742
610 802 0.8742
611 CX5 0.8740
612 HRD 0.8739
613 CZ0 0.8739
614 F36 0.8738
615 NVS 0.8738
616 HFT 0.8737
617 0NX 0.8737
618 DQH 0.8736
619 TVZ 0.8736
620 J1K 0.8733
621 3MI 0.8733
622 BX4 0.8733
623 DTQ 0.8732
624 HPX 0.8732
625 KWV 0.8732
626 5TU 0.8729
627 L3L 0.8729
628 JA5 0.8728
629 KOM 0.8726
630 D1G 0.8725
631 68A 0.8725
632 PE2 0.8724
633 Q5M 0.8723
634 S60 0.8722
635 X8E 0.8722
636 C9M 0.8721
637 BUX 0.8721
638 5I5 0.8719
639 GNG 0.8717
640 T5J 0.8715
641 F4U 0.8714
642 4F8 0.8714
643 BGU 0.8714
644 MXD 0.8714
645 4RG 0.8713
646 FNT 0.8711
647 IW4 0.8708
648 BQ2 0.8707
649 OTA 0.8705
650 5OO 0.8705
651 SJK 0.8705
652 1QV 0.8704
653 P9I 0.8704
654 5TY 0.8702
655 6WL 0.8702
656 54X 0.8701
657 SAK 0.8701
658 X0U 0.8701
659 7VF 0.8699
660 0SX 0.8699
661 DHT 0.8699
662 34L 0.8697
663 GHQ 0.8696
664 MYU 0.8696
665 92G 0.8694
666 M83 0.8694
667 6NZ 0.8693
668 JGB 0.8690
669 BC5 0.8690
670 YEX 0.8687
671 BRY 0.8683
672 4AJ 0.8683
673 LRW 0.8682
674 37E 0.8680
675 0H5 0.8679
676 ZAR 0.8678
677 EUE 0.8678
678 OPA 0.8677
679 K0G 0.8677
680 PMP 0.8677
681 QR2 0.8675
682 BA5 0.8674
683 4R1 0.8674
684 1Q1 0.8673
685 EUH 0.8672
686 8YH 0.8672
687 4CF 0.8672
688 7N8 0.8672
689 B61 0.8670
690 3Y7 0.8668
691 M5H 0.8668
692 UN4 0.8668
693 9FG 0.8667
694 E9S 0.8663
695 SKF 0.8662
696 ZME 0.8662
697 AQN 0.8661
698 JRO 0.8661
699 A7H 0.8659
700 244 0.8658
701 IS2 0.8657
702 IOS 0.8656
703 AXX 0.8654
704 P81 0.8651
705 CSN 0.8651
706 2M7 0.8651
707 4NP 0.8650
708 6B5 0.8649
709 RDT 0.8649
710 S0E 0.8648
711 TYP 0.8647
712 G1L 0.8647
713 DUR 0.8647
714 DAH 0.8646
715 A64 0.8646
716 N7I 0.8643
717 DT7 0.8642
718 JY2 0.8642
719 AOM 0.8642
720 8UY 0.8641
721 L02 0.8640
722 3ZB 0.8638
723 1UT 0.8636
724 X04 0.8636
725 EXX 0.8634
726 TGW 0.8632
727 78P 0.8631
728 AJD 0.8630
729 9NB 0.8629
730 ASD 0.8629
731 NQ8 0.8626
732 QC1 0.8624
733 GAT 0.8623
734 8HG 0.8623
735 ESR 0.8622
736 7G1 0.8622
737 A4D 0.8621
738 3R4 0.8616
739 DX8 0.8616
740 VFG 0.8615
741 72E 0.8614
742 PNP 0.8613
743 P9E 0.8613
744 CFA 0.8613
745 IAC 0.8612
746 GMP 0.8610
747 IYR 0.8607
748 38B 0.8607
749 BIE 0.8607
750 658 0.8607
751 AOX 0.8606
752 3C3 0.8606
753 ZYQ 0.8606
754 JOB 0.8605
755 DZ1 0.8604
756 4MB 0.8604
757 X2L 0.8600
758 8HH 0.8599
759 50C 0.8597
760 2LT 0.8596
761 6SD 0.8595
762 4BY 0.8594
763 B86 0.8594
764 F02 0.8593
765 GZ2 0.8591
766 5CD 0.8589
767 0OO 0.8586
768 IRH 0.8586
769 ET0 0.8585
770 SNB 0.8585
771 7KE 0.8585
772 J8D 0.8581
773 U12 0.8581
774 S0A 0.8580
775 B23 0.8580
776 COL 0.8578
777 0OL 0.8578
778 MT6 0.8575
779 ISX 0.8575
780 6MD 0.8575
781 CNI 0.8574
782 6J9 0.8574
783 I0G 0.8573
784 AD6 0.8573
785 IXM 0.8573
786 BL4 0.8569
787 1V0 0.8569
788 4HG 0.8567
789 L03 0.8567
790 94X 0.8566
791 THA 0.8565
792 0QA 0.8564
793 QBP 0.8563
794 ZEC 0.8558
795 AX1 0.8554
796 T21 0.8550
797 WST 0.8550
798 LWA 0.8550
799 JO5 0.8548
800 MYC 0.8548
801 M3F 0.8545
802 BL7 0.8541
803 1KN 0.8540
804 5P7 0.8540
805 AO 0.8539
806 LP8 0.8538
807 GXD 0.8531
808 OQC 0.8524
809 TFX 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3UXM; Ligand: 0DN; 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: 3uxm.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3UXM; Ligand: 0DN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3uxm.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3UXM; Ligand: 0DN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3uxm.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3UXM; Ligand: 0DN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3uxm.bio5) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3UXM; Ligand: 0DN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3uxm.bio5) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3UXM; Ligand: 0DN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3uxm.bio6) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3UXM; Ligand: 0DN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3uxm.bio6) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3UXM; Ligand: 0DN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3uxm.bio4) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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