Receptor
PDB id Resolution Class Description Source Keywords
3DOY 2.4 Å EC: 4.2.1.- CRYSTAL STRUCTURE OF (3R)-HYDROXYACYL-ACYL CARRIER PROTEIN D (FABZ) FROM HELICOBACTER PYLORI IN COMPLEX WITH COMPOUND 3I HELICOBACTER PYLORI FABZ COMPLEX LYASE
Ref.: DISCOVERING POTENT INHIBITORS AGAINST THE BETA-HYDROXYACYL-ACYL CARRIER PROTEIN DEHYDRATASE ( HELICOBACTER PYLORI: STRUCTURE-BASED DESIGN, SYNTHE BIOASSAY, AND CRYSTAL STRUCTURE DETERMINATION. J.MED.CHEM. V. 52 2465 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2BE A:3001;
C:3002;
Valid;
Valid;
none;
none;
ic50 = 1.52 uM
448.494 C14 H9 Br2 Cl N2 O3 c1cc(...
BEN A:2001;
A:2005;
B:2007;
B:2009;
C:2004;
E:2008;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
120.152 C7 H8 N2 [H]/N...
CL A:1001;
B:1002;
C:1003;
D:1004;
E:1005;
F:1006;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3D04 2.4 Å EC: 4.2.1.- CRYSTAL STRUCTURE OF (3R)-HYDROXYACYL-ACYL CARRIER PROTEIN DEHYDRATASE (FABZ) FROM HELICOBACTER PYLORI IN COMPLEX W ITH SAKURANETIN HELICOBACTER PYLORI FABZ COMPLEX SAKURANETIN LYASE
Ref.: THREE FLAVONOIDS TARGETING THE BETA-HYDROXYACYL-ACYL CARRIER PROTEIN DEHYDRATASE FROM HELICOBACTER PYLORI: CRYSTAL STRUCTURE CHARACTERIZATION WITH ENZYMATIC INHIBITION ASSAY PROTEIN SCI. V. 17 1971 2008
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3CF8 Ki = 12.7 uM QUE C15 H10 O7 c1cc(c(cc1....
2 3DOZ ic50 = 1.98 uM 3BE C14 H9 Br3 N2 O3 c1cc(cc(c1....
3 3ED0 Kd = 0.45 uM EMO C15 H10 O5 Cc1cc2c(c(....
4 3B7J Ki = 6.8 uM JUG C10 H6 O3 c1cc2c(c(c....
5 3DP3 ic50 = 1.52 uM 4BB C18 H18 Br2 N2 O3 CC(C)(C)c1....
6 3DP2 ic50 = 1.5 uM 4BE C14 H9 Br3 N2 O3 c1cc(ccc1C....
7 3DP1 ic50 = 9.92 uM 2RB C15 H12 Br2 N2 O4 COc1ccc(cc....
8 3D04 Ki = 0.9 uM SAK C16 H14 O5 COc1cc(c2c....
9 3DP0 ic50 = 1.42 uM 2BC C18 H12 Br2 N2 O3 c1ccc2cc(c....
10 3DOY ic50 = 1.52 uM 2BE C14 H9 Br2 Cl N2 O3 c1cc(ccc1C....
11 2GLP Ki = 9.7 uM BDE C13 H9 Br2 N3 O3 c1cc(cnc1)....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3CF8 Ki = 12.7 uM QUE C15 H10 O7 c1cc(c(cc1....
2 3DOZ ic50 = 1.98 uM 3BE C14 H9 Br3 N2 O3 c1cc(cc(c1....
3 3ED0 Kd = 0.45 uM EMO C15 H10 O5 Cc1cc2c(c(....
4 3B7J Ki = 6.8 uM JUG C10 H6 O3 c1cc2c(c(c....
5 3DP3 ic50 = 1.52 uM 4BB C18 H18 Br2 N2 O3 CC(C)(C)c1....
6 3DP2 ic50 = 1.5 uM 4BE C14 H9 Br3 N2 O3 c1cc(ccc1C....
7 3DP1 ic50 = 9.92 uM 2RB C15 H12 Br2 N2 O4 COc1ccc(cc....
8 3D04 Ki = 0.9 uM SAK C16 H14 O5 COc1cc(c2c....
9 3DP0 ic50 = 1.42 uM 2BC C18 H12 Br2 N2 O3 c1ccc2cc(c....
10 3DOY ic50 = 1.52 uM 2BE C14 H9 Br2 Cl N2 O3 c1cc(ccc1C....
11 2GLP Ki = 9.7 uM BDE C13 H9 Br2 N3 O3 c1cc(cnc1)....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3CF8 Ki = 12.7 uM QUE C15 H10 O7 c1cc(c(cc1....
2 3DOZ ic50 = 1.98 uM 3BE C14 H9 Br3 N2 O3 c1cc(cc(c1....
3 3ED0 Kd = 0.45 uM EMO C15 H10 O5 Cc1cc2c(c(....
4 3B7J Ki = 6.8 uM JUG C10 H6 O3 c1cc2c(c(c....
5 3DP3 ic50 = 1.52 uM 4BB C18 H18 Br2 N2 O3 CC(C)(C)c1....
6 3DP2 ic50 = 1.5 uM 4BE C14 H9 Br3 N2 O3 c1cc(ccc1C....
7 3DP1 ic50 = 9.92 uM 2RB C15 H12 Br2 N2 O4 COc1ccc(cc....
8 3D04 Ki = 0.9 uM SAK C16 H14 O5 COc1cc(c2c....
9 3DP0 ic50 = 1.42 uM 2BC C18 H12 Br2 N2 O3 c1ccc2cc(c....
10 3DOY ic50 = 1.52 uM 2BE C14 H9 Br2 Cl N2 O3 c1cc(ccc1C....
11 2GLP Ki = 9.7 uM BDE C13 H9 Br2 N3 O3 c1cc(cnc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2BE; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 2BE 1 1
2 4BE 0.758621 0.976744
3 4BB 0.737705 0.875
4 2RB 0.709677 0.913043
5 3BE 0.630769 0.976744
6 BDE 0.597015 0.875
7 2BC 0.585714 0.954545
Ligand no: 2; Ligand: BEN; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 BEN 1 1
2 BAM 0.52 0.941176
3 NTN 0.481481 0.8
4 P72 0.413793 0.695652
Similar Ligands (3D)
Ligand no: 1; Ligand: 2BE; Similar ligands found: 57
No: Ligand Similarity coefficient
1 FO2 0.9047
2 P9L 0.9008
3 BFS 0.8979
4 1VG 0.8937
5 OUG 0.8914
6 30Z 0.8908
7 4B8 0.8906
8 BCE 0.8904
9 QUE 0.8888
10 AU6 0.8877
11 1FL 0.8864
12 68Q 0.8862
13 MRI 0.8859
14 IHU 0.8834
15 NFG 0.8833
16 3K1 0.8825
17 M62 0.8818
18 S16 0.8817
19 BXZ 0.8777
20 J8G 0.8775
21 IRH 0.8771
22 67B 0.8766
23 MT6 0.8746
24 LU2 0.8743
25 7GK 0.8737
26 5XM 0.8733
27 IW5 0.8727
28 DN8 0.8727
29 658 0.8720
30 B4L 0.8714
31 27M 0.8704
32 MYC 0.8700
33 0H5 0.8692
34 O9Q 0.8686
35 5OA 0.8682
36 0UA 0.8672
37 JPW 0.8667
38 ELH 0.8661
39 DZ3 0.8660
40 NAR 0.8657
41 O9Z 0.8634
42 13F 0.8632
43 M0Y 0.8621
44 IW3 0.8619
45 6EN 0.8616
46 F91 0.8612
47 N0E 0.8608
48 NPZ 0.8600
49 EX7 0.8595
50 APT 0.8590
51 YC8 0.8584
52 39R 0.8580
53 H50 0.8578
54 28C 0.8571
55 5RU 0.8567
56 4KN 0.8549
57 5EZ 0.8531
Ligand no: 2; Ligand: BEN; Similar ligands found: 1302
No: Ligand Similarity coefficient
1 6PC 1.0000
2 BEZ 1.0000
3 BNS 1.0000
4 UNU 1.0000
5 NCA 1.0000
6 NIO 1.0000
7 PBC 1.0000
8 AC0 1.0000
9 YCP 1.0000
10 QSC 1.0000
11 M58 1.0000
12 BE7 1.0000
13 PZA 1.0000
14 SS1 1.0000
15 NBZ 1.0000
16 VGL 1.0000
17 JZ7 1.0000
18 URQ 1.0000
19 MMZ 1.0000
20 SS2 0.9977
21 C21 0.9951
22 IND 0.9948
23 IT2 0.9946
24 TP5 0.9940
25 PRO 0.9938
26 265 0.9938
27 DEN 0.9934
28 LZ1 0.9928
29 FOA 0.9927
30 AMC 0.9922
31 BZI 0.9918
32 PYC 0.9911
33 0R1 0.9908
34 TZC 0.9902
35 IDM 0.9902
36 JBN 0.9899
37 BZF 0.9896
38 MPI 0.9893
39 2PC 0.9892
40 GVH 0.9890
41 4JP 0.9886
42 273 0.9885
43 SMV 0.9878
44 GAG 0.9868
45 RSO 0.9866
46 MRZ 0.9844
47 NPY 0.9842
48 QUZ 0.9842
49 NPO 0.9837
50 ABN 0.9836
51 CFI 0.9829
52 PHB 0.9828
53 DPR 0.9824
54 5AC 0.9824
55 GBD 0.9821
56 JAB 0.9819
57 0CT 0.9812
58 BHO 0.9810
59 PRS 0.9809
60 282 0.9807
61 OXQ 0.9803
62 JZ9 0.9802
63 FAN 0.9801
64 FEH 0.9800
65 SAL 0.9800
66 HY1 0.9799
67 SYN 0.9791
68 7A8 0.9790
69 ISZ 0.9785
70 3U4 0.9784
71 PY7 0.9783
72 BE2 0.9779
73 HBX 0.9778
74 OAA 0.9778
75 HBD 0.9777
76 ES6 0.9776
77 JBE 0.9774
78 3OC 0.9774
79 UGC 0.9771
80 4SV 0.9769
81 JZ5 0.9768
82 54D 0.9764
83 PAB 0.9763
84 PYF 0.9762
85 1Y6 0.9759
86 60P 0.9754
87 2CK 0.9754
88 826 0.9752
89 8GC 0.9751
90 PBZ 0.9747
91 AC6 0.9744
92 J1Z 0.9743
93 GAB 0.9740
94 F05 0.9739
95 HLR 0.9738
96 3NT 0.9737
97 9EW 0.9734
98 5HN 0.9732
99 6M9 0.9732
100 1PT 0.9732
101 0RW 0.9725
102 I1E 0.9723
103 NBE 0.9722
104 SW7 0.9721
105 Z82 0.9719
106 3HB 0.9716
107 VNJ 0.9715
108 JKE 0.9714
109 3AB 0.9714
110 FBM 0.9713
111 4MA 0.9713
112 MLT 0.9713
113 AX7 0.9711
114 HYP 0.9711
115 270 0.9709
116 53C 0.9709
117 MXN 0.9708
118 NIZ 0.9706
119 14J 0.9705
120 OK7 0.9703
121 6M4 0.9700
122 MNN 0.9700
123 7WV 0.9699
124 4CS 0.9698
125 SVN 0.9696
126 NMJ 0.9695
127 HZP 0.9693
128 3SK 0.9693
129 1MR 0.9691
130 OVV 0.9688
131 1DJ 0.9685
132 HY3 0.9684
133 1WD 0.9679
134 UYA 0.9675
135 TFB 0.9673
136 F9P 0.9671
137 UY7 0.9670
138 14O 0.9670
139 FQI 0.9669
140 9CL 0.9668
141 DYA 0.9666
142 ABV 0.9665
143 FPI 0.9665
144 2MI 0.9664
145 FB2 0.9661
146 HIO 0.9660
147 8EZ 0.9660
148 5H1 0.9660
149 174 0.9658
150 WCE 0.9657
151 2K4 0.9657
152 F60 0.9652
153 BRT 0.9646
154 FBJ 0.9645
155 APY 0.9645
156 TPA 0.9637
157 PCA 0.9636
158 6AI 0.9634
159 1DU 0.9626
160 3BZ 0.9624
161 P92 0.9620
162 BZX 0.9615
163 5MI 0.9614
164 PHU 0.9613
165 M4T 0.9609
166 LMR 0.9600
167 5MB 0.9598
168 PMB 0.9597
169 XM0 0.9597
170 7WG 0.9592
171 CXF 0.9591
172 ADE 0.9587
173 T2C 0.9587
174 XBT 0.9583
175 0TR 0.9581
176 2RH 0.9577
177 ZBT 0.9577
178 TZL 0.9577
179 RSF 0.9574
180 L3Q 0.9570
181 3ID 0.9569
182 HPA 0.9568
183 COI 0.9567
184 HBA 0.9567
185 SRT 0.9556
186 HSM 0.9547
187 B24 0.9546
188 THE 0.9538
189 ASP 0.9537
190 FBA 0.9531
191 HHA 0.9531
192 3M0 0.9531
193 JAE 0.9531
194 NNO 0.9526
195 DBH 0.9523
196 11S 0.9523
197 1WG 0.9523
198 1DQ 0.9521
199 3HA 0.9518
200 10L 0.9517
201 QY9 0.9514
202 NK 0.9513
203 4VP 0.9512
204 JBK 0.9512
205 M6W 0.9511
206 PZI 0.9510
207 40E 0.9508
208 PEA 0.9507
209 4P5 0.9501
210 ES9 0.9500
211 GJZ 0.9499
212 3F0 0.9498
213 ASN 0.9495
214 H4N 0.9493
215 150 0.9491
216 FE DB1 0.9489
217 INO 0.9489
218 PYJ 0.9489
219 KKN 0.9487
220 DMD 0.9486
221 ISN 0.9486
222 TLA 0.9481
223 FK1 0.9479
224 8NY 0.9476
225 IP0 0.9475
226 P9P 0.9475
227 BP1 0.9474
228 K34 0.9472
229 SPA 0.9472
230 1P3 0.9471
231 BVC 0.9471
232 PAC 0.9470
233 9DA 0.9470
234 URF 0.9469
235 7HP 0.9469
236 5WV 0.9467
237 COU 0.9466
238 XYP 0.9464
239 93K 0.9462
240 4NC 0.9461
241 XX2 0.9461
242 FCR 0.9459
243 9TW 0.9458
244 SHA 0.9458
245 2HO 0.9457
246 TH0 0.9457
247 FHB 0.9456
248 HDH 0.9454
249 69O 0.9453
250 7N0 0.9452
251 KIV 0.9452
252 GYE 0.9451
253 JB5 0.9450
254 7WA 0.9449
255 3HM 0.9447
256 MYJ 0.9447
257 TH7 0.9446
258 DHB 0.9444
259 9HX 0.9442
260 HSE 0.9440
261 SWD 0.9440
262 6MP 0.9440
263 4A3 0.9436
264 271 0.9436
265 67N 0.9436
266 2CQ 0.9436
267 GUA 0.9436
268 PEL 0.9435
269 2AQ 0.9435
270 ES7 0.9432
271 JLZ 0.9430
272 7W4 0.9426
273 RB5 0.9425
274 XYL 0.9425
275 03V 0.9425
276 TZE 0.9423
277 M1A 0.9422
278 J9T 0.9421
279 ES5 0.9421
280 FUM 0.9421
281 WOT 0.9420
282 R8A 0.9418
283 MAK 0.9418
284 1SQ 0.9417
285 7CZ 0.9417
286 1MC 0.9417
287 MZW 0.9415
288 4JM 0.9414
289 CHB 0.9414
290 1DV 0.9414
291 5SG 0.9413
292 XQ0 0.9413
293 QSB 0.9412
294 TEO 0.9412
295 1LQ 0.9411
296 4XH 0.9411
297 NMG 0.9410
298 LDU 0.9410
299 WBU 0.9407
300 IHB 0.9407
301 SIN 0.9406
302 NXA 0.9402
303 4YS 0.9399
304 BVG 0.9399
305 717 0.9397
306 45C 0.9394
307 OCH 0.9392
308 5Q0 0.9392
309 TSU 0.9391
310 HCS 0.9390
311 GRE 0.9390
312 LXC 0.9389
313 MZ0 0.9389
314 5IQ 0.9388
315 N5J 0.9388
316 24W 0.9388
317 HQY 0.9388
318 ES4 0.9388
319 KYD 0.9387
320 RMN 0.9386
321 OHG 0.9385
322 OTR 0.9384
323 PRI 0.9384
324 4FS 0.9383
325 ES1 0.9383
326 AHR 0.9383
327 DOB 0.9383
328 ALO 0.9381
329 FA0 0.9381
330 1P7 0.9378
331 SJ5 0.9377
332 51R 0.9375
333 EDG 0.9375
334 HH8 0.9374
335 MCT 0.9374
336 HX2 0.9374
337 CEE 0.9373
338 PM6 0.9373
339 JZ3 0.9372
340 2LP 0.9372
341 PLQ 0.9372
342 BP9 0.9371
343 TDR 0.9371
344 JPZ 0.9369
345 FPY 0.9366
346 4JL 0.9366
347 AL0 0.9364
348 1AB 0.9364
349 QDK 0.9364
350 7B4 0.9364
351 5NU 0.9363
352 173 0.9362
353 BHA 0.9362
354 KOJ 0.9361
355 275 0.9361
356 GLU 0.9360
357 280 0.9359
358 4JU 0.9359
359 6M1 0.9357
360 5B1 0.9357
361 6F0 0.9356
362 MAE 0.9355
363 AAS 0.9353
364 51F 0.9352
365 HVQ 0.9352
366 ORO 0.9352
367 3DO 0.9350
368 MWM 0.9350
369 4ZE 0.9349
370 069 0.9347
371 RIB 0.9347
372 PKU 0.9346
373 SAN 0.9343
374 23A 0.9343
375 5CU 0.9343
376 2MP 0.9342
377 R2B 0.9341
378 NVI 0.9341
379 O72 0.9341
380 H42 0.9341
381 2ZV 0.9339
382 FBV 0.9339
383 4M0 0.9338
384 FPN 0.9337
385 HMH 0.9336
386 R1X 0.9336
387 JBH 0.9335
388 DE5 0.9334
389 HQE 0.9334
390 XYD 0.9333
391 IQ0 0.9333
392 2AC 0.9331
393 MRY 0.9330
394 4JT 0.9329
395 OXZ 0.9329
396 Q88 0.9329
397 45L 0.9328
398 PBE 0.9328
399 268 0.9327
400 ADZ 0.9326
401 IFM 0.9324
402 ES0 0.9324
403 F4Z 0.9324
404 FP1 0.9323
405 DA1 0.9323
406 XBZ 0.9323
407 ITN 0.9321
408 ICP 0.9320
409 PYD 0.9320
410 ET2 0.9319
411 BTE 0.9318
412 1NP 0.9317
413 7MU 0.9315
414 34A 0.9313
415 MLA 0.9313
416 4HO 0.9312
417 IMR 0.9311
418 5RG 0.9310
419 XCZ 0.9310
420 1LN 0.9308
421 SMN 0.9307
422 AZF 0.9307
423 4WL 0.9305
424 DAS 0.9305
425 1DW 0.9305
426 QWN 0.9305
427 A1U 0.9305
428 4XR 0.9305
429 8OZ 0.9303
430 4JJ 0.9303
431 CWM 0.9302
432 OXC 0.9302
433 3PF 0.9300
434 URS 0.9299
435 AW5 0.9298
436 GTQ 0.9298
437 9TZ 0.9298
438 GRO 0.9297
439 34D 0.9296
440 FB1 0.9296
441 H8N 0.9294
442 M3H 0.9293
443 HSO 0.9293
444 4ZA 0.9293
445 RHU 0.9293
446 C2B 0.9293
447 THR 0.9291
448 1SA 0.9289
449 1LM 0.9289
450 HT4 0.9289
451 DOR 0.9288
452 98J 0.9288
453 PCR 0.9288
454 9X7 0.9287
455 D48 0.9286
456 0R0 0.9284
457 2MH 0.9284
458 286 0.9283
459 54G 0.9282
460 LG4 0.9281
461 SD4 0.9280
462 FBW 0.9280
463 IPB 0.9278
464 CLW 0.9278
465 9RW 0.9277
466 2YU 0.9277
467 6CS 0.9277
468 XUL 0.9277
469 FBS 0.9276
470 5UC 0.9275
471 EQT 0.9274
472 4CL 0.9273
473 DS0 0.9272
474 RM1 0.9271
475 4J8 0.9271
476 G3E 0.9270
477 DAB 0.9270
478 36R 0.9270
479 AHB 0.9269
480 JYD 0.9269
481 5JC 0.9266
482 D1X 0.9265
483 DHR 0.9265
484 ILE 0.9263
485 5M0 0.9263
486 A09 0.9263
487 DTL 0.9263
488 CAQ 0.9263
489 CXL 0.9263
490 ECE 0.9262
491 3SL 0.9261
492 AMS 0.9261
493 ASC 0.9260
494 5MK 0.9259
495 QXW 0.9259
496 VAL 0.9259
497 5MH 0.9258
498 J5I 0.9256
499 LT2 0.9255
500 2CO 0.9255
501 PIY 0.9254
502 NYL 0.9253
503 ROR 0.9253
504 GIF 0.9252
505 IZC 0.9252
506 ES2 0.9251
507 VGD 0.9251
508 TC7 0.9251
509 43M 0.9251
510 2AL 0.9251
511 BSX 0.9250
512 SE2 0.9250
513 DCL 0.9249
514 3ZQ 0.9249
515 27Y 0.9248
516 261 0.9247
517 AGK 0.9246
518 RBL 0.9246
519 BEW 0.9246
520 5QY 0.9245
521 PXY 0.9244
522 FYU 0.9240
523 HIS 0.9237
524 K2T 0.9236
525 MLI 0.9236
526 AEF 0.9235
527 AKG 0.9234
528 FBB 0.9234
529 IFP 0.9233
530 2D0 0.9232
531 25R 0.9232
532 SKM 0.9231
533 JZ2 0.9231
534 AC5 0.9231
535 9YL 0.9229
536 H3M 0.9229
537 SX1 0.9228
538 CYH 0.9228
539 LCN 0.9225
540 I3A 0.9225
541 5VM 0.9224
542 2IM 0.9223
543 L99 0.9223
544 DHK 0.9219
545 LEU 0.9219
546 PRY 0.9219
547 MUC 0.9218
548 HL5 0.9217
549 T9G 0.9216
550 HAI 0.9215
551 1P8 0.9214
552 258 0.9214
553 GUN 0.9214
554 HH5 0.9214
555 DMG 0.9214
556 TM7 0.9213
557 PAF 0.9212
558 V1L 0.9212
559 PEQ 0.9211
560 0V5 0.9211
561 SNE 0.9211
562 MLM 0.9211
563 S2G 0.9210
564 C5J 0.9210
565 40O 0.9210
566 ICC 0.9209
567 MWJ 0.9209
568 DHS 0.9207
569 JZ1 0.9206
570 25W 0.9205
571 CFP 0.9205
572 2EZ 0.9205
573 PIM 0.9203
574 JZ4 0.9203
575 E5X 0.9202
576 PEP 0.9201
577 A2Q 0.9201
578 4CH 0.9200
579 GDE 0.9199
580 6GU 0.9199
581 DX4 0.9197
582 OXE 0.9195
583 HX3 0.9192
584 QMP 0.9192
585 ONL 0.9191
586 ABE 0.9191
587 4FA 0.9190
588 J9Q 0.9190
589 IUR 0.9189
590 A2F 0.9188
591 L60 0.9188
592 TIU 0.9184
593 GXE 0.9184
594 6AP 0.9184
595 C2A 0.9183
596 2DR 0.9183
597 TTL 0.9180
598 PPR 0.9178
599 JA8 0.9178
600 SPV 0.9178
601 XAN 0.9178
602 FUL 0.9177
603 N4B 0.9175
604 JFJ 0.9175
605 NOJ 0.9175
606 G2F 0.9174
607 ZXD 0.9174
608 LDP 0.9172
609 EHM 0.9172
610 RP7 0.9172
611 ICF 0.9171
612 5OB 0.9170
613 HMU 0.9170
614 BZ3 0.9169
615 IPH 0.9169
616 MZG 0.9168
617 YRL 0.9166
618 SEP 0.9165
619 IGA 0.9165
620 MBN 0.9163
621 FCA 0.9163
622 4NM 0.9161
623 TAR 0.9161
624 HRZ 0.9159
625 LNR 0.9157
626 264 0.9156
627 93B 0.9154
628 K5W 0.9153
629 P2D 0.9153
630 GZ3 0.9152
631 IHG 0.9152
632 7HQ 0.9151
633 2AP 0.9151
634 G3H 0.9150
635 G3P 0.9150
636 4HS 0.9150
637 AZA 0.9150
638 4AP 0.9150
639 SKG 0.9148
640 4AA 0.9147
641 7W1 0.9147
642 3AP 0.9147
643 HVK 0.9147
644 ASO 0.9146
645 5QX 0.9146
646 BGC 0.9145
647 Z6J 0.9143
648 RCO 0.9143
649 ARB 0.9143
650 BR9 0.9141
651 DUC 0.9141
652 H95 0.9140
653 GLY GLY 0.9140
654 QOS 0.9140
655 1M2 0.9140
656 AAE 0.9138
657 BOA 0.9138
658 8CL 0.9135
659 DFB 0.9135
660 FLA 0.9135
661 URA 0.9135
662 XIY 0.9134
663 278 0.9134
664 290 0.9134
665 5XC 0.9133
666 CYT 0.9133
667 IOM 0.9133
668 CRN 0.9133
669 3MB 0.9132
670 1XN 0.9132
671 0CU 0.9132
672 XLS 0.9131
673 0P6 0.9128
674 23W 0.9128
675 IDH 0.9128
676 I2M 0.9128
677 3CH 0.9128
678 XYS 0.9127
679 2PG 0.9124
680 XSP 0.9124
681 A13 0.9124
682 X0V 0.9123
683 SVD 0.9122
684 BML 0.9122
685 IFL 0.9121
686 259 0.9121
687 LG3 0.9121
688 BCP 0.9121
689 9TY 0.9121
690 3HL 0.9121
691 G6D 0.9120
692 DFU 0.9117
693 NOY 0.9116
694 S76 0.9116
695 OVM 0.9116
696 RIP 0.9116
697 8K2 0.9115
698 9DG 0.9115
699 284 0.9114
700 141 0.9114
701 QSH 0.9114
702 GZL 0.9113
703 42A 0.9113
704 HPY 0.9113
705 2CH 0.9113
706 OVP 0.9112
707 4JO 0.9111
708 12Q 0.9110
709 8H8 0.9109
710 92Z 0.9109
711 AMH 0.9108
712 GLC 0.9108
713 LER 0.9106
714 CWS 0.9105
715 9PO 0.9103
716 YH7 0.9102
717 CIZ 0.9102
718 R67 0.9101
719 EKZ 0.9101
720 3PG 0.9101
721 F81 0.9101
722 URP 0.9101
723 P3K 0.9100
724 24B 0.9100
725 2KT 0.9100
726 97T 0.9098
727 2FT 0.9097
728 4JN 0.9097
729 2BG 0.9096
730 BVF 0.9096
731 AZG 0.9095
732 FUC 0.9095
733 FP2 0.9095
734 HHN 0.9094
735 LGA 0.9094
736 FGZ 0.9093
737 NVA 0.9093
738 PXL 0.9093
739 OKG 0.9092
740 3PY 0.9092
741 1AN 0.9092
742 G4D 0.9091
743 DGJ 0.9091
744 EA1 0.9091
745 CSS 0.9091
746 KTA 0.9090
747 ORN 0.9088
748 RBJ 0.9088
749 CRS 0.9087
750 0MK 0.9087
751 8CM 0.9086
752 TLD 0.9086
753 I4B 0.9084
754 K7M 0.9084
755 TTO 0.9083
756 3Z8 0.9083
757 269 0.9082
758 AKB 0.9082
759 OW4 0.9080
760 MR1 0.9078
761 3QM 0.9077
762 2AF 0.9077
763 DHQ 0.9076
764 KUF 0.9075
765 A7W 0.9074
766 GOJ 0.9074
767 8LG 0.9074
768 3FH 0.9074
769 SYV 0.9071
770 0W8 0.9071
771 4MV 0.9070
772 TYL 0.9070
773 KPL 0.9070
774 1XM 0.9069
775 64K 0.9069
776 CMS 0.9068
777 2TQ 0.9067
778 ANN 0.9066
779 HQT 0.9066
780 FW5 0.9066
781 IF7 0.9065
782 IVA 0.9065
783 SSN 0.9064
784 2XX 0.9064
785 JZ0 0.9064
786 KG7 0.9064
787 PBA 0.9063
788 XRG 0.9059
789 NDH 0.9059
790 SWA 0.9058
791 L89 0.9058
792 MED 0.9057
793 DGY 0.9057
794 PNZ 0.9056
795 ZZT 0.9055
796 YAN 0.9055
797 1GP 0.9054
798 ZZ3 0.9053
799 2HQ 0.9053
800 6RQ 0.9053
801 JIF 0.9052
802 LG5 0.9052
803 SKA 0.9051
804 2A7 0.9051
805 R9S 0.9050
806 26D 0.9049
807 FUB 0.9048
808 RNS 0.9047
809 BPN 0.9046
810 LT1 0.9045
811 GLN 0.9045
812 8GF 0.9045
813 4FH 0.9044
814 GLL 0.9044
815 OHP 0.9043
816 GGL 0.9041
817 CTL 0.9040
818 PRA 0.9039
819 DMJ 0.9039
820 4NG 0.9038
821 DGN 0.9038
822 DIN 0.9038
823 13P 0.9038
824 86J 0.9038
825 IV2 0.9038
826 32X 0.9038
827 2AS 0.9037
828 93Q 0.9037
829 RUU 0.9036
830 4BZ 0.9035
831 MRW 0.9034
832 LZM 0.9034
833 BNF 0.9033
834 92K 0.9033
835 MNM 0.9033
836 4SX 0.9033
837 MET 0.9032
838 3HR 0.9030
839 3MC 0.9029
840 HPS 0.9028
841 LYL 0.9028
842 449 0.9028
843 76X 0.9028
844 285 0.9026
845 RAM 0.9026
846 2FY 0.9024
847 VNL 0.9024
848 2HG 0.9023
849 PGA 0.9023
850 HJP 0.9022
851 NSP 0.9020
852 ADK 0.9020
853 UNC 0.9018
854 NCT 0.9017
855 Q24 0.9017
856 GG6 0.9016
857 47J 0.9016
858 HTS 0.9015
859 3XX 0.9014
860 FOT 0.9012
861 5GU 0.9010
862 IOL 0.9010
863 MT0 0.9010
864 MQN 0.9009
865 8WO 0.9009
866 2EC 0.9008
867 F5B 0.9008
868 3IT 0.9008
869 KJH 0.9007
870 7EX 0.9007
871 E7Z 0.9006
872 FA1 0.9006
873 MS9 0.9005
874 HDA 0.9004
875 PIH 0.9003
876 PYG 0.9003
877 OGA 0.9003
878 HGW 0.9002
879 SN4 0.9001
880 G3F 0.9000
881 0HO 0.8998
882 SYG 0.8997
883 R8V 0.8996
884 CEJ 0.8996
885 YHO 0.8996
886 N2Z 0.8995
887 HHI 0.8995
888 RNT 0.8994
889 EXO 0.8994
890 Y8I 0.8993
891 HIU 0.8993
892 4P0 0.8991
893 ODO 0.8991
894 FBT 0.8988
895 NLE 0.8986
896 URC 0.8986
897 938 0.8984
898 3Z7 0.8982
899 5RN 0.8982
900 3AL 0.8982
901 HGQ 0.8982
902 24T 0.8981
903 XXR 0.8977
904 C2U 0.8976
905 0HN 0.8976
906 SC2 0.8976
907 ABU 0.8975
908 HC4 0.8974
909 TMZ 0.8973
910 IPZ 0.8973
911 MWP 0.8970
912 4HC 0.8969
913 DBX 0.8968
914 MAN 0.8968
915 PE0 0.8968
916 4H2 0.8968
917 B40 0.8967
918 4YO 0.8967
919 LGC 0.8967
920 M5K 0.8966
921 34V 0.8966
922 9MG 0.8966
923 KMT 0.8965
924 GVG 0.8965
925 25T 0.8965
926 HHH 0.8964
927 0JD 0.8964
928 GAL 0.8963
929 B57 0.8962
930 B85 0.8961
931 MEW 0.8961
932 2A9 0.8960
933 4JQ 0.8960
934 82I 0.8960
935 ARA 0.8960
936 HQJ 0.8959
937 L5V 0.8957
938 6X8 0.8957
939 23J 0.8956
940 ABI 0.8956
941 DIU 0.8956
942 8S0 0.8956
943 KJU 0.8955
944 LRH 0.8955
945 DGL 0.8954
946 CIG 0.8953
947 IJZ 0.8952
948 M3T 0.8952
949 4Z4 0.8951
950 FDB 0.8950
951 AZ8 0.8949
952 G2H 0.8948
953 0TU 0.8947
954 AQO 0.8947
955 HEW 0.8947
956 GLY ALA 0.8946
957 HYN 0.8945
958 FLM 0.8944
959 GIO 0.8943
960 PAE 0.8942
961 MSR 0.8940
962 3A9 0.8938
963 75K 0.8937
964 LEA 0.8936
965 JBQ 0.8936
966 52C 0.8936
967 X1S 0.8935
968 4ZC 0.8935
969 NEQ 0.8935
970 RJY 0.8931
971 FFP 0.8931
972 3FA 0.8930
973 3WA 0.8930
974 32O 0.8929
975 XQG 0.8929
976 A29 0.8928
977 YTB 0.8928
978 ADA 0.8927
979 F31 0.8927
980 FBU 0.8927
981 GMN 0.8927
982 B3R 0.8926
983 6NT 0.8925
984 SME 0.8924
985 PAH 0.8923
986 8ZE 0.8923
987 APG 0.8922
988 7MH 0.8922
989 KT7 0.8921
990 BDP 0.8919
991 EYK 0.8919
992 SOE 0.8918
993 GTR 0.8918
994 495 0.8918
995 MZB 0.8917
996 Q6T 0.8916
997 RAT 0.8915
998 G5V 0.8915
999 PGH 0.8915
1000 F9Y 0.8914
1001 O7U 0.8914
1002 GCU 0.8914
1003 2FG 0.8913
1004 HZQ 0.8912
1005 AJ2 0.8911
1006 EDR 0.8910
1007 KBG 0.8909
1008 FSG 0.8909
1009 SER 0.8909
1010 2ZM 0.8908
1011 N7P 0.8908
1012 DBB 0.8908
1013 DQY 0.8906
1014 AFR 0.8906
1015 BEA 0.8906
1016 263 0.8905
1017 PMF 0.8905
1018 CYS 0.8905
1019 3NY 0.8904
1020 0OC 0.8903
1021 3PP 0.8902
1022 F0J 0.8900
1023 MBD 0.8900
1024 BTY 0.8899
1025 FUF 0.8898
1026 4XX 0.8896
1027 B55 0.8894
1028 C2N 0.8892
1029 E60 0.8892
1030 KBB 0.8891
1031 WOO 0.8891
1032 GCS 0.8890
1033 QX2 0.8890
1034 XIX 0.8890
1035 2F6 0.8889
1036 ACH 0.8889
1037 DCY 0.8889
1038 ALL 0.8888
1039 R8S 0.8887
1040 PZM 0.8887
1041 AKH 0.8886
1042 2C9 0.8886
1043 4VY 0.8885
1044 M6N 0.8884
1045 MPD 0.8882
1046 3V4 0.8882
1047 MLE 0.8881
1048 F4E 0.8880
1049 2MY 0.8880
1050 1XX 0.8879
1051 CN0 0.8877
1052 QWW 0.8877
1053 12M 0.8877
1054 TMT 0.8877
1055 BZ2 0.8877
1056 PO6 0.8876
1057 BCU 0.8875
1058 FK8 0.8875
1059 CXP 0.8875
1060 MJ2 0.8874
1061 DSN 0.8874
1062 2H5 0.8872
1063 42C 0.8872
1064 1DH 0.8872
1065 2HU 0.8871
1066 ABA 0.8870
1067 DXX 0.8869
1068 XAZ 0.8867
1069 3MH 0.8861
1070 PHE 0.8859
1071 CPZ 0.8859
1072 8TX 0.8858
1073 AJV 0.8857
1074 TZF 0.8857
1075 S0H 0.8857
1076 IPU 0.8857
1077 5JQ 0.8856
1078 J9N 0.8854
1079 HLZ 0.8851
1080 4HM 0.8850
1081 6NI 0.8850
1082 5NI 0.8848
1083 1F1 0.8848
1084 DBJ 0.8846
1085 H76 0.8845
1086 JAW 0.8844
1087 X05 0.8843
1088 SNU 0.8842
1089 GLA 0.8840
1090 3CE 0.8838
1091 M1E 0.8837
1092 ICO 0.8837
1093 MO8 0.8835
1094 8IG 0.8835
1095 4SD 0.8834
1096 EUG 0.8832
1097 4M4 0.8832
1098 TGX 0.8832
1099 5JL 0.8832
1100 GXY 0.8832
1101 3RK 0.8831
1102 AZ9 0.8830
1103 GAF 0.8829
1104 BDF 0.8829
1105 KJY 0.8828
1106 LLQ 0.8827
1107 8WT 0.8827
1108 4XV 0.8826
1109 6FZ 0.8826
1110 CP 0.8826
1111 7NI 0.8825
1112 42J 0.8825
1113 JXN 0.8825
1114 M45 0.8824
1115 NK2 0.8824
1116 M1Q 0.8824
1117 39A 0.8824
1118 M0W 0.8824
1119 6TZ 0.8824
1120 M2K 0.8823
1121 J9W 0.8821
1122 DTU 0.8819
1123 HHQ 0.8819
1124 6OT 0.8818
1125 CTS 0.8818
1126 V55 0.8818
1127 B53 0.8817
1128 1GN 0.8816
1129 B2J 0.8815
1130 6MH 0.8814
1131 N8P 0.8814
1132 3HP 0.8810
1133 QIC 0.8810
1134 4HP 0.8810
1135 9X6 0.8808
1136 ESP 0.8808
1137 DRL 0.8807
1138 GXL 0.8805
1139 1SP 0.8803
1140 2CM 0.8803
1141 WDL 0.8803
1142 DAL DAL 0.8802
1143 R20 0.8801
1144 BMA 0.8801
1145 M2H 0.8799
1146 N2I 0.8798
1147 M0Q 0.8798
1148 HQD 0.8797
1149 SAT 0.8794
1150 TM4 0.8793
1151 X6X 0.8790
1152 4XS 0.8788
1153 EV0 0.8787
1154 IWT 0.8786
1155 7VS 0.8783
1156 7VD 0.8783
1157 6UA 0.8783
1158 15E 0.8780
1159 T6C 0.8779
1160 9FL 0.8778
1161 3DM 0.8777
1162 INS 0.8777
1163 DEE 0.8773
1164 FUD 0.8771
1165 3MA 0.8770
1166 AX2 0.8769
1167 HXX 0.8768
1168 LSA 0.8767
1169 5RO 0.8766
1170 0BP 0.8765
1171 RUY 0.8764
1172 ICB 0.8764
1173 AS3 0.8763
1174 7VP 0.8762
1175 UFV 0.8762
1176 5WX 0.8762
1177 TB6 0.8760
1178 13X 0.8760
1179 GP9 0.8760
1180 0N7 0.8759
1181 149 0.8753
1182 PCT 0.8750
1183 192 0.8750
1184 GIV 0.8748
1185 RM4 0.8748
1186 5AN 0.8743
1187 FPK 0.8743
1188 DUB 0.8741
1189 TEP 0.8740
1190 GCB 0.8738
1191 MUA 0.8737
1192 329 0.8734
1193 GOO 0.8733
1194 3AY 0.8733
1195 36Y 0.8732
1196 KMH 0.8731
1197 2ZX 0.8730
1198 N3W 0.8725
1199 3R6 0.8722
1200 M1H 0.8720
1201 NF3 0.8719
1202 SAR 0.8719
1203 XXG 0.8714
1204 EVA 0.8713
1205 JF6 0.8713
1206 FA3 0.8713
1207 CWJ 0.8712
1208 MFB 0.8711
1209 OPE 0.8709
1210 I3E 0.8708
1211 2HC 0.8708
1212 BR8 0.8708
1213 SEJ 0.8707
1214 6ME 0.8704
1215 HCI 0.8703
1216 PRZ 0.8701
1217 PIS 0.8700
1218 5CL 0.8700
1219 Z5P 0.8699
1220 260 0.8699
1221 2AK 0.8698
1222 GOL 0.8698
1223 5ZE 0.8695
1224 DIE 0.8688
1225 9CA 0.8687
1226 6HQ 0.8686
1227 PLU 0.8683
1228 LYS 0.8681
1229 ODV 0.8680
1230 APZ 0.8679
1231 MB3 0.8679
1232 MBG 0.8679
1233 37T 0.8676
1234 1IT 0.8676
1235 TAG 0.8675
1236 KVP 0.8674
1237 0LH 0.8673
1238 F12 0.8667
1239 TSS 0.8667
1240 FDK 0.8666
1241 XXP 0.8665
1242 MPV 0.8663
1243 BNL 0.8662
1244 ISE 0.8660
1245 A8C 0.8659
1246 Q02 0.8659
1247 KDV 0.8659
1248 GLY PRO 0.8656
1249 B62 0.8652
1250 ONR 0.8647
1251 OTW 0.8647
1252 BAL 0.8644
1253 5LA 0.8642
1254 1CB 0.8640
1255 M4S 0.8639
1256 KSW 0.8639
1257 OMD 0.8638
1258 4ME 0.8636
1259 ATQ 0.8636
1260 152 0.8634
1261 N8Y 0.8632
1262 44V 0.8631
1263 0F9 0.8630
1264 BUA 0.8629
1265 SHG 0.8628
1266 DQA 0.8626
1267 PPV 0.8625
1268 XHP 0.8623
1269 1XA 0.8622
1270 MSF 0.8620
1271 NQ 0.8619
1272 BXO 0.8616
1273 4MU 0.8614
1274 0FO 0.8614
1275 2CL 0.8612
1276 TBP 0.8609
1277 DQU 0.8608
1278 MSN 0.8608
1279 1WC 0.8606
1280 TTY 0.8603
1281 4JC 0.8603
1282 CH9 0.8601
1283 C2Y 0.8598
1284 ESX 0.8592
1285 DHY 0.8588
1286 3MT 0.8584
1287 YSO 0.8581
1288 FCN 0.8577
1289 QX4 0.8577
1290 RXA 0.8574
1291 1U6 0.8572
1292 BAQ 0.8569
1293 MSE 0.8568
1294 E35 0.8562
1295 HV2 0.8560
1296 VXX 0.8545
1297 9R5 0.8541
1298 4MZ 0.8541
1299 PEZ 0.8539
1300 XDE 0.8538
1301 QBK 0.8534
1302 HSL 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3D04; Ligand: SAK; 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: 3d04.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3D04; Ligand: SAK; 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: 3d04.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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