Receptor
PDB id Resolution Class Description Source Keywords
3SZB 1.51 Å EC: 1.2.1.5 CRYSTAL STRUCTURE OF HUMAN ALDH3A1 MODIFIED WITH THE BETA-EL PRODUCT OF ALDI-1; 1-PHENYL- 2-PROPEN-1-ONE HOMO SAPIENS ALDH ALDI-1 INHIBITOR ROSSMANN FOLD COVALENT ADDUCT OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF A NOVEL CLASS OF COVALENT INHIBITOR FO ALDEHYDE DEHYDROGENASES. J.BIOL.CHEM. V. 286 43486 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:701;
B:701;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
I1E A:1001;
B:1001;
Valid;
Valid;
none;
none;
submit data
134.175 C9 H10 O CCC(=...
K A:602;
A:603;
B:601;
B:603;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
39.098 K [K+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3SZB 1.51 Å EC: 1.2.1.5 CRYSTAL STRUCTURE OF HUMAN ALDH3A1 MODIFIED WITH THE BETA-EL PRODUCT OF ALDI-1; 1-PHENYL- 2-PROPEN-1-ONE HOMO SAPIENS ALDH ALDI-1 INHIBITOR ROSSMANN FOLD COVALENT ADDUCT OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF A NOVEL CLASS OF COVALENT INHIBITOR FO ALDEHYDE DEHYDROGENASES. J.BIOL.CHEM. V. 286 43486 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3SZB - I1E C9 H10 O CCC(=O)c1c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3SZB - I1E C9 H10 O CCC(=O)c1c....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5UCD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 3SZB - I1E C9 H10 O CCC(=O)c1c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: I1E; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 I1E 1 1
2 AC0 0.482759 0.727273
3 I3E 0.470588 0.916667
Similar Ligands (3D)
Ligand no: 1; Ligand: I1E; Similar ligands found: 994
No: Ligand Similarity coefficient
1 ISZ 1.0000
2 1DJ 1.0000
3 FBM 0.9954
4 FEH 0.9953
5 BHO 0.9938
6 NIZ 0.9929
7 MNN 0.9918
8 CFI 0.9917
9 TPA 0.9901
10 F9P 0.9824
11 MXN 0.9799
12 GJZ 0.9794
13 XBT 0.9784
14 TZL 0.9754
15 BAM 0.9744
16 FBJ 0.9733
17 54D 0.9724
18 BEN 0.9723
19 NCA 0.9720
20 PEA 0.9719
21 BEZ 0.9719
22 NIO 0.9710
23 J9T 0.9709
24 PEL 0.9697
25 271 0.9696
26 PZA 0.9684
27 ZBT 0.9679
28 CEE 0.9679
29 6PC 0.9677
30 PBC 0.9672
31 NBZ 0.9666
32 M6W 0.9652
33 CXF 0.9646
34 HY1 0.9644
35 UNU 0.9640
36 NTN 0.9639
37 7MU 0.9637
38 SHA 0.9634
39 173 0.9623
40 OTR 0.9621
41 H42 0.9618
42 QSC 0.9614
43 BNS 0.9611
44 069 0.9606
45 NYL 0.9601
46 SS1 0.9590
47 FAN 0.9583
48 SS2 0.9581
49 45L 0.9580
50 4FS 0.9578
51 VGL 0.9574
52 ES5 0.9574
53 M58 0.9573
54 2AQ 0.9567
55 HDH 0.9564
56 4FA 0.9561
57 8OZ 0.9561
58 T9G 0.9560
59 269 0.9558
60 ABV 0.9558
61 COU 0.9557
62 SMN 0.9556
63 268 0.9553
64 2BG 0.9551
65 258 0.9550
66 03V 0.9547
67 OCH 0.9546
68 YRL 0.9545
69 AC6 0.9541
70 AX7 0.9539
71 YCP 0.9539
72 5WV 0.9537
73 RM1 0.9533
74 M3H 0.9530
75 PHB 0.9527
76 49F 0.9518
77 XIY 0.9514
78 11S 0.9514
79 IT2 0.9507
80 PKU 0.9505
81 264 0.9502
82 RMN 0.9499
83 GOJ 0.9499
84 FB2 0.9499
85 ES9 0.9498
86 NPO 0.9497
87 FK1 0.9495
88 BNF 0.9495
89 A09 0.9492
90 TP5 0.9490
91 PIY 0.9487
92 DHR 0.9487
93 PMB 0.9484
94 JZ7 0.9483
95 GRO 0.9481
96 PAC 0.9480
97 7N0 0.9478
98 9RW 0.9478
99 PHU 0.9478
100 P92 0.9477
101 1M2 0.9475
102 URS 0.9474
103 QY9 0.9473
104 TZC 0.9469
105 I4B 0.9469
106 PZI 0.9461
107 XM0 0.9458
108 I3A 0.9458
109 H4N 0.9456
110 PIM 0.9455
111 PBZ 0.9454
112 BZ3 0.9454
113 BE2 0.9454
114 MLT 0.9452
115 5MB 0.9450
116 L99 0.9445
117 PAB 0.9442
118 VNJ 0.9441
119 717 0.9441
120 WCE 0.9440
121 AEF 0.9438
122 PRA 0.9438
123 OAA 0.9438
124 F60 0.9437
125 KKN 0.9431
126 8ZE 0.9431
127 RSO 0.9430
128 4CS 0.9430
129 14O 0.9430
130 6M9 0.9430
131 5H1 0.9428
132 HBD 0.9427
133 RBJ 0.9420
134 3OC 0.9416
135 1P7 0.9414
136 5MI 0.9413
137 BZX 0.9413
138 3PF 0.9410
139 3U4 0.9408
140 PYC 0.9407
141 6AI 0.9407
142 FK8 0.9407
143 RJY 0.9407
144 6M4 0.9403
145 5OB 0.9400
146 MR1 0.9399
147 F9Y 0.9398
148 K34 0.9397
149 ES2 0.9396
150 A29 0.9396
151 PRO 0.9395
152 DE5 0.9393
153 8NY 0.9393
154 ES7 0.9393
155 3NT 0.9389
156 ISN 0.9386
157 AL0 0.9385
158 1Y6 0.9384
159 SD4 0.9383
160 LNR 0.9383
161 J9N 0.9383
162 7W4 0.9379
163 1P8 0.9378
164 3AB 0.9375
165 CLW 0.9371
166 1PT 0.9370
167 LMR 0.9369
168 OK7 0.9367
169 8GC 0.9363
170 SYG 0.9362
171 LT1 0.9361
172 36R 0.9360
173 826 0.9360
174 INO 0.9359
175 2HQ 0.9357
176 RB5 0.9356
177 XYL 0.9356
178 SAF 0.9355
179 0TU 0.9353
180 4P5 0.9353
181 SAL 0.9353
182 2MI 0.9353
183 SYN 0.9353
184 3SK 0.9352
185 5QY 0.9352
186 KUF 0.9350
187 5XC 0.9349
188 270 0.9347
189 HL5 0.9347
190 LDP 0.9346
191 GAB 0.9345
192 FOA 0.9345
193 2K4 0.9343
194 4JT 0.9343
195 GZL 0.9342
196 OVV 0.9341
197 53C 0.9341
198 1L5 0.9340
199 1DU 0.9340
200 N2I 0.9338
201 VGD 0.9338
202 92K 0.9336
203 HSM 0.9333
204 2PC 0.9331
205 3HB 0.9328
206 2RH 0.9327
207 N4B 0.9323
208 4HP 0.9323
209 ET2 0.9323
210 MQN 0.9323
211 CWS 0.9321
212 M4T 0.9321
213 7VP 0.9320
214 K2T 0.9320
215 2LP 0.9317
216 J9Q 0.9315
217 XRG 0.9314
218 4MA 0.9313
219 4JQ 0.9312
220 F4E 0.9311
221 0RW 0.9311
222 40E 0.9310
223 NCT 0.9310
224 GUA 0.9310
225 G3E 0.9309
226 KDV 0.9308
227 JZ5 0.9307
228 FBB 0.9307
229 7WV 0.9307
230 ODO 0.9306
231 4NC 0.9305
232 ES6 0.9305
233 D48 0.9304
234 TH7 0.9302
235 2EC 0.9295
236 5B1 0.9294
237 HSO 0.9292
238 EDR 0.9291
239 DYA 0.9290
240 HIS 0.9288
241 HBA 0.9288
242 93K 0.9288
243 KOJ 0.9287
244 JFJ 0.9287
245 PO6 0.9286
246 273 0.9284
247 DMD 0.9284
248 XQ0 0.9283
249 KJU 0.9283
250 AMC 0.9283
251 HHH 0.9283
252 2FY 0.9283
253 JZ4 0.9280
254 JA8 0.9279
255 RBL 0.9278
256 97T 0.9274
257 4WL 0.9274
258 MRW 0.9274
259 GAG 0.9273
260 C21 0.9272
261 TEO 0.9270
262 NMJ 0.9270
263 ASP 0.9270
264 MSR 0.9270
265 BNL 0.9270
266 4YO 0.9270
267 QWN 0.9269
268 5HN 0.9269
269 23J 0.9268
270 PYJ 0.9268
271 0HN 0.9268
272 Z82 0.9267
273 3QM 0.9264
274 MRZ 0.9264
275 DHB 0.9263
276 0P6 0.9260
277 5VM 0.9260
278 P72 0.9260
279 4RW 0.9258
280 AEG 0.9255
281 NNO 0.9255
282 QUZ 0.9252
283 P9P 0.9252
284 PBA 0.9252
285 GLY ALA 0.9252
286 KMT 0.9251
287 7C3 0.9249
288 J5I 0.9248
289 DIN 0.9247
290 HMH 0.9245
291 MS9 0.9245
292 6TZ 0.9244
293 9CL 0.9243
294 CWM 0.9241
295 KTA 0.9240
296 XUL 0.9239
297 86J 0.9238
298 BSX 0.9238
299 DGN 0.9237
300 DGL 0.9236
301 TYL 0.9235
302 SAN 0.9235
303 14J 0.9234
304 PY7 0.9232
305 JBN 0.9230
306 8WT 0.9229
307 174 0.9228
308 9R5 0.9228
309 GLU 0.9227
310 BZ2 0.9227
311 A7W 0.9226
312 LZM 0.9225
313 2HO 0.9224
314 JF6 0.9223
315 2D0 0.9223
316 7WG 0.9222
317 ORN 0.9221
318 6NT 0.9220
319 SPA 0.9219
320 HCI 0.9219
321 N2Z 0.9217
322 GVG 0.9217
323 7BC 0.9217
324 4A3 0.9216
325 ASC 0.9215
326 ABN 0.9215
327 3BZ 0.9214
328 NPY 0.9213
329 1DQ 0.9212
330 TZE 0.9212
331 IWT 0.9211
332 S8V 0.9208
333 URQ 0.9208
334 261 0.9208
335 7HQ 0.9208
336 FBV 0.9206
337 SMV 0.9206
338 2HG 0.9205
339 FQI 0.9205
340 PEP 0.9205
341 SE2 0.9205
342 FP1 0.9203
343 1P3 0.9202
344 HX4 0.9201
345 1A7 0.9200
346 JAE 0.9200
347 B09 0.9199
348 FHB 0.9199
349 DAS 0.9196
350 42A 0.9193
351 R9S 0.9193
352 BCU 0.9193
353 5GU 0.9191
354 MED 0.9190
355 PRY 0.9190
356 HYA 0.9189
357 APG 0.9189
358 SIN 0.9189
359 HX2 0.9188
360 MET 0.9188
361 JKE 0.9187
362 3HA 0.9186
363 IP0 0.9186
364 MYJ 0.9186
365 J6W 0.9186
366 0JD 0.9186
367 TFB 0.9185
368 1WD 0.9185
369 BRT 0.9184
370 4SV 0.9183
371 3ID 0.9182
372 0HO 0.9181
373 3LR 0.9180
374 AHR 0.9179
375 AAS 0.9179
376 42J 0.9179
377 EHM 0.9178
378 LEU 0.9178
379 5NI 0.9176
380 TLA 0.9175
381 R20 0.9174
382 GLY GLY 0.9173
383 Q88 0.9172
384 IZC 0.9169
385 A5E 0.9169
386 RNS 0.9168
387 2AL 0.9168
388 DBH 0.9168
389 4VP 0.9167
390 9TW 0.9166
391 ICB 0.9165
392 4HM 0.9164
393 FB1 0.9164
394 52C 0.9161
395 282 0.9161
396 60P 0.9161
397 8CM 0.9161
398 HQJ 0.9160
399 B24 0.9160
400 3F0 0.9160
401 AOT 0.9159
402 PHE 0.9159
403 OGA 0.9159
404 265 0.9159
405 ILE 0.9158
406 4ZA 0.9158
407 R9Y 0.9156
408 CHB 0.9156
409 OHP 0.9156
410 APY 0.9155
411 R2P 0.9155
412 ES0 0.9155
413 IDM 0.9155
414 1F1 0.9154
415 4XR 0.9154
416 PNZ 0.9153
417 TSU 0.9153
418 H4E 0.9153
419 JB5 0.9152
420 0BP 0.9151
421 SNU 0.9151
422 HIO 0.9149
423 HLR 0.9149
424 3HM 0.9148
425 FPI 0.9148
426 ROR 0.9147
427 JYD 0.9144
428 PCA 0.9144
429 Q9Z 0.9143
430 RUY 0.9143
431 HPS 0.9141
432 PYF 0.9140
433 Q02 0.9138
434 HL4 0.9135
435 6RQ 0.9135
436 4JM 0.9134
437 SRT 0.9134
438 AKG 0.9133
439 B40 0.9133
440 MUC 0.9133
441 FBW 0.9132
442 LYS 0.9132
443 4J8 0.9132
444 GLN 0.9131
445 FUM 0.9131
446 2HU 0.9131
447 CPZ 0.9130
448 L5V 0.9130
449 4VY 0.9130
450 SW7 0.9129
451 IV2 0.9129
452 E35 0.9128
453 SYM 0.9128
454 HBX 0.9127
455 MPV 0.9127
456 QDK 0.9127
457 DEE 0.9127
458 ASN 0.9127
459 2ZM 0.9126
460 OKG 0.9125
461 B85 0.9124
462 GBD 0.9123
463 K7M 0.9122
464 GLC 0.9122
465 2CK 0.9121
466 ICO 0.9120
467 DTL 0.9120
468 DOB 0.9120
469 BE7 0.9120
470 6FZ 0.9120
471 4PN 0.9119
472 YZM 0.9118
473 CTL 0.9116
474 TSS 0.9115
475 CH9 0.9114
476 3HP 0.9114
477 GGL 0.9113
478 9FL 0.9113
479 OXQ 0.9112
480 4JL 0.9112
481 FA0 0.9110
482 TZF 0.9110
483 CXP 0.9110
484 XIZ 0.9110
485 GYE 0.9109
486 JBE 0.9109
487 3AL 0.9108
488 8H8 0.9108
489 SYC 0.9107
490 9ON 0.9107
491 H8N 0.9104
492 NXA 0.9104
493 1MR 0.9103
494 FCR 0.9101
495 0LH 0.9101
496 DEN 0.9101
497 IHB 0.9101
498 GTQ 0.9100
499 ESP 0.9100
500 TGX 0.9100
501 263 0.9100
502 DHY 0.9100
503 PMF 0.9099
504 LYL 0.9099
505 3A9 0.9099
506 QSB 0.9099
507 ALA ALA 0.9098
508 FBA 0.9097
509 UY7 0.9097
510 6NI 0.9096
511 1LN 0.9096
512 3SL 0.9095
513 DYT 0.9094
514 5RN 0.9093
515 5NU 0.9093
516 3NY 0.9091
517 2CO 0.9089
518 IXW 0.9087
519 FA1 0.9087
520 61M 0.9086
521 DAL DAL 0.9085
522 3M0 0.9085
523 51R 0.9083
524 URO 0.9083
525 XCZ 0.9082
526 N8Y 0.9082
527 PRS 0.9080
528 RNT 0.9074
529 TCA 0.9074
530 9CA 0.9074
531 XLS 0.9073
532 4M0 0.9071
533 P7Y 0.9070
534 OOG 0.9070
535 5RG 0.9070
536 2F6 0.9069
537 BHA 0.9062
538 1DV 0.9061
539 SSB 0.9061
540 COI 0.9061
541 S2G 0.9057
542 M45 0.9057
543 HC4 0.9056
544 JB8 0.9056
545 54G 0.9056
546 IND 0.9055
547 51F 0.9055
548 AS3 0.9055
549 YPN 0.9053
550 DHI 0.9053
551 EV0 0.9052
552 ANN 0.9052
553 ALE 0.9051
554 XDE 0.9051
555 ABI 0.9048
556 NLE 0.9046
557 QMP 0.9046
558 5CU 0.9045
559 15N 0.9045
560 5M0 0.9045
561 ESX 0.9045
562 FBS 0.9044
563 DS0 0.9044
564 TT4 0.9043
565 KIV 0.9042
566 DLY 0.9041
567 2HC 0.9040
568 1SA 0.9040
569 PTU 0.9039
570 E7S 0.9038
571 BZI 0.9038
572 5AC 0.9036
573 FUD 0.9036
574 EKZ 0.9035
575 2IT 0.9031
576 JAB 0.9031
577 RHU 0.9030
578 BPW 0.9029
579 X0V 0.9028
580 M6H 0.9027
581 PPY 0.9026
582 HY3 0.9023
583 BEA 0.9023
584 94W 0.9022
585 CTS 0.9021
586 C2B 0.9020
587 AHC 0.9019
588 LZ1 0.9018
589 HFA 0.9015
590 FE DB1 0.9015
591 D1X 0.9015
592 B2J 0.9014
593 TAG 0.9014
594 GLY CYS 0.9013
595 HHI 0.9012
596 I38 0.9011
597 EUG 0.9011
598 JRB 0.9007
599 BZF 0.9006
600 FYU 0.9005
601 SJ5 0.9002
602 SOR 0.9000
603 AX3 0.8999
604 DHK 0.8999
605 NSP 0.8999
606 SPV 0.8998
607 DOR 0.8998
608 9ZE 0.8998
609 PH3 0.8995
610 HPP 0.8995
611 NOJ 0.8994
612 C2A 0.8993
613 HX3 0.8992
614 FOC 0.8990
615 BP9 0.8990
616 EA1 0.8989
617 XX2 0.8989
618 4SX 0.8989
619 ONL 0.8987
620 N3W 0.8987
621 GZ3 0.8986
622 E1T 0.8986
623 DHS 0.8985
624 CWJ 0.8985
625 Q03 0.8984
626 DIR 0.8983
627 4LW 0.8983
628 36Y 0.8980
629 K6V 0.8978
630 JLZ 0.8978
631 HYP 0.8977
632 XDK 0.8976
633 NDH 0.8974
634 HHA 0.8973
635 23W 0.8971
636 GZQ 0.8970
637 TAR 0.8969
638 HA5 0.8969
639 PBN 0.8968
640 BPN 0.8967
641 HDA 0.8967
642 OVM 0.8966
643 UGC 0.8965
644 IPB 0.8965
645 8WO 0.8965
646 6F0 0.8964
647 SKM 0.8962
648 R67 0.8962
649 CRN 0.8961
650 IOM 0.8961
651 MTL 0.8961
652 MEQ 0.8958
653 1WC 0.8958
654 24B 0.8958
655 JDN 0.8957
656 VKC 0.8957
657 T2C 0.8956
658 4AA 0.8956
659 PSJ 0.8955
660 0CT 0.8955
661 9X7 0.8954
662 MZW 0.8954
663 2LY 0.8953
664 PPT 0.8953
665 0OC 0.8951
666 OW4 0.8951
667 3C4 0.8950
668 KTJ 0.8950
669 EOU 0.8949
670 4HO 0.8949
671 AMS 0.8946
672 ITN 0.8945
673 MPI 0.8945
674 SR1 0.8944
675 5MK 0.8944
676 KDG 0.8943
677 IHG 0.8943
678 ZXD 0.8943
679 URC 0.8942
680 1XA 0.8942
681 AHN 0.8941
682 SLS 0.8940
683 9TZ 0.8939
684 GAL 0.8938
685 2PG 0.8938
686 MES 0.8938
687 4LV 0.8938
688 VXX 0.8937
689 3DO 0.8937
690 SC2 0.8936
691 4Z4 0.8934
692 K5W 0.8933
693 SDD 0.8932
694 M74 0.8932
695 EN1 0.8931
696 0R1 0.8926
697 TYE 0.8925
698 GDE 0.8924
699 V55 0.8923
700 HCS 0.8922
701 A9P 0.8922
702 6M1 0.8921
703 1MC 0.8920
704 2AS 0.8919
705 6NA 0.8917
706 GVH 0.8917
707 92P 0.8915
708 SYV 0.8915
709 B3U 0.8914
710 S2P 0.8914
711 F31 0.8912
712 PEQ 0.8911
713 IFP 0.8910
714 82I 0.8910
715 AHB 0.8905
716 34D 0.8903
717 HSE 0.8903
718 HMU 0.8902
719 HNH 0.8901
720 NBE 0.8900
721 MSE 0.8900
722 DBX 0.8900
723 SHI 0.8897
724 DFB 0.8896
725 LCN 0.8895
726 FA3 0.8894
727 DPN 0.8892
728 259 0.8892
729 3FH 0.8892
730 BHH 0.8891
731 4V2 0.8890
732 EGR 0.8889
733 PZM 0.8888
734 HNL 0.8887
735 MAE 0.8887
736 TIH 0.8886
737 0R0 0.8886
738 LPK 0.8885
739 5WZ 0.8885
740 JZ3 0.8885
741 IAC 0.8884
742 0V5 0.8884
743 S24 0.8883
744 2BX 0.8882
745 A3M 0.8881
746 36M 0.8880
747 3IT 0.8880
748 JAW 0.8879
749 SME 0.8879
750 PG3 0.8878
751 2FT 0.8877
752 0F9 0.8877
753 RAT 0.8876
754 56D 0.8875
755 OHG 0.8873
756 ASO 0.8872
757 8GL 0.8872
758 46P 0.8872
759 HF2 0.8871
760 3YP 0.8871
761 KYD 0.8871
762 CFA 0.8870
763 NK 0.8870
764 4M4 0.8868
765 MLE 0.8867
766 DAV 0.8866
767 GP9 0.8866
768 1CO 0.8865
769 4FH 0.8865
770 NF3 0.8864
771 RIB 0.8862
772 EYK 0.8861
773 PJW 0.8861
774 C2Y 0.8860
775 6ZX 0.8859
776 SVD 0.8859
777 KMH 0.8858
778 M1Z 0.8858
779 449 0.8858
780 4NM 0.8857
781 GLO 0.8857
782 HGA 0.8857
783 428 0.8856
784 4MV 0.8855
785 HPV 0.8854
786 ZZT 0.8852
787 TIU 0.8850
788 IFM 0.8849
789 JND 0.8849
790 7MX 0.8848
791 6LW 0.8848
792 3R6 0.8847
793 HNK 0.8844
794 13P 0.8844
795 NFM 0.8843
796 PGA 0.8841
797 THE 0.8840
798 SX1 0.8840
799 D3G 0.8839
800 G3P 0.8839
801 PBE 0.8839
802 QUS 0.8838
803 G3H 0.8838
804 DMV 0.8838
805 SHF 0.8838
806 4ME 0.8836
807 1BN 0.8835
808 4XV 0.8831
809 BVC 0.8831
810 GRE 0.8831
811 IF7 0.8828
812 M4E 0.8826
813 BDP 0.8826
814 SOL 0.8824
815 HVQ 0.8824
816 A13 0.8823
817 3XX 0.8823
818 BTY 0.8822
819 WOT 0.8820
820 H7Y 0.8819
821 8U3 0.8819
822 3BU 0.8819
823 FBT 0.8819
824 DGJ 0.8817
825 JZ1 0.8815
826 OMD 0.8814
827 8K2 0.8814
828 ZZ2 0.8806
829 G4D 0.8806
830 KP6 0.8805
831 286 0.8805
832 TYR 0.8805
833 GWM 0.8801
834 AMH 0.8801
835 AEH 0.8799
836 M5E 0.8799
837 SOE 0.8799
838 BVG 0.8799
839 ONR 0.8796
840 92G 0.8795
841 CMS 0.8794
842 IFL 0.8794
843 5XB 0.8793
844 1AB 0.8792
845 3OL 0.8790
846 LEA 0.8790
847 PGH 0.8787
848 NVI 0.8786
849 X1S 0.8786
850 PRZ 0.8786
851 ACA 0.8785
852 2D8 0.8784
853 DTU 0.8784
854 NFA 0.8782
855 41K 0.8781
856 GLL 0.8781
857 GCO 0.8780
858 293 0.8780
859 23A 0.8778
860 69O 0.8777
861 LYN 0.8777
862 ABU 0.8777
863 1Z6 0.8776
864 LER 0.8775
865 1X4 0.8775
866 9YL 0.8772
867 5LA 0.8771
868 MRY 0.8769
869 MJ2 0.8768
870 9SE 0.8764
871 2TQ 0.8763
872 EOL 0.8762
873 OSE 0.8762
874 ICF 0.8761
875 2XX 0.8760
876 3MB 0.8760
877 AOS 0.8758
878 CN0 0.8758
879 G2F 0.8758
880 BPY 0.8757
881 2EZ 0.8756
882 C1M 0.8756
883 9RH 0.8755
884 0VT 0.8754
885 4XS 0.8752
886 AGK 0.8752
887 F69 0.8751
888 R2B 0.8750
889 Z5P 0.8750
890 PAF 0.8749
891 MEV 0.8748
892 L13 0.8747
893 2A9 0.8744
894 G8M 0.8744
895 KDF 0.8743
896 SNE 0.8742
897 3CR 0.8741
898 CS2 0.8740
899 1GP 0.8740
900 NOY 0.8738
901 FBU 0.8738
902 AG2 0.8737
903 MZ0 0.8735
904 ADA 0.8734
905 H95 0.8733
906 MNM 0.8732
907 GIF 0.8729
908 3HG 0.8728
909 3PG 0.8728
910 G2H 0.8727
911 LTL 0.8727
912 CSS 0.8726
913 LDU 0.8724
914 IPZ 0.8723
915 ZZ3 0.8722
916 CIZ 0.8722
917 XQI 0.8719
918 C9E 0.8718
919 LNO 0.8717
920 SEP 0.8716
921 OXZ 0.8716
922 SN4 0.8715
923 2CL 0.8711
924 KBB 0.8711
925 DC5 0.8711
926 RA7 0.8703
927 PLU 0.8702
928 GTR 0.8699
929 CIT 0.8699
930 EYV 0.8693
931 AFR 0.8693
932 FOT 0.8693
933 5VL 0.8691
934 PG0 0.8690
935 N6C 0.8689
936 149 0.8688
937 R1X 0.8686
938 N9J 0.8685
939 LLQ 0.8685
940 C2U 0.8685
941 GAF 0.8682
942 OHJ 0.8679
943 S76 0.8677
944 4P0 0.8676
945 QBM 0.8672
946 URP 0.8667
947 AAN 0.8660
948 R8A 0.8660
949 UFV 0.8660
950 FF3 0.8659
951 GLA 0.8657
952 CUW 0.8654
953 36E 0.8654
954 AZF 0.8653
955 ACH 0.8652
956 EDG 0.8650
957 FSG 0.8650
958 DQA 0.8645
959 LSQ 0.8641
960 TSR 0.8641
961 2A7 0.8639
962 152 0.8635
963 AMQ 0.8629
964 F4K 0.8629
965 3MV 0.8626
966 PAH 0.8623
967 791 0.8619
968 278 0.8618
969 IPU 0.8614
970 GBN 0.8612
971 DCL 0.8610
972 HJP 0.8609
973 2FG 0.8607
974 2C2 0.8605
975 4BZ 0.8604
976 AC5 0.8603
977 42C 0.8603
978 CCU 0.8601
979 CP 0.8599
980 HQ9 0.8597
981 129 0.8596
982 LRH 0.8595
983 6OT 0.8590
984 HXX 0.8589
985 RNO 0.8589
986 CXH 0.8567
987 ZGL 0.8563
988 GXL 0.8560
989 F06 0.8556
990 AY4 0.8553
991 B2Y 0.8545
992 H76 0.8544
993 G5V 0.8541
994 GPJ 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3SZB; Ligand: I1E; 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: 3szb.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3SZB; Ligand: I1E; 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: 3szb.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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