Receptor
PDB id Resolution Class Description Source Keywords
6hrz 1.57 Å NON-ENZYME: TRANSCRIPT_TRANSLATE ETHR2 IN COMPLEX WITH COMPOUND 4 (BDM72170) MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) HELIX-TURN-HELIX TETR-FAMILY COMPLEX INHIBITOR DRUG DESITUBERCULOSIS ETHIONAMIDE DNA BINDING PROTEIN
Ref.: A FRAGMENT-BASED APPROACH TOWARDS THE DISCOVERY OF N-SUBSTITUTED TROPINONES AS INHIBITORS OF MYCOBACTE TUBERCULOSIS TRANSCRIPTIONAL REGULATOR ETHR2. EUR J MED CHEM V. 167 426 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GO2 A:302;
A:301;
 Valid;
Valid;
 none;
none;
 submit data
192.241 C8 H8 N4 S [H]/N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6HS2 1.87 Å NON-ENZYME: TRANSCRIPT_TRANSLATE ETHR2 IN COMPLEX WITH COMPOUND 31 (BDM76150) MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCH37RV) HELIX-TURN-HELIX TETR-FAMILY COMPLEX INHIBITOR DRUG DESITUBERCULOSIS ETHIONAMIDE DNA BINDING PROTEIN
Ref.: A FRAGMENT-BASED APPROACH TOWARDS THE DISCOVERY OF N-SUBSTITUTED TROPINONES AS INHIBITORS OF MYCOBACTE TUBERCULOSIS TRANSCRIPTIONAL REGULATOR ETHR2. EUR J MED CHEM V. 167 426 2019
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 6HRX ic50 = 0.00000001 M GO8 C8 H11 N5 S CC(C)Sc1[n....
2 6HS0 ic50 = 0.00000001 M GNW C11 H15 Cl N2 c1cc(cc(c1....
3 6HRW ic50 = 1 uM GNK C15 H18 Cl N O c1cc(ccc1C....
4 5ICJ - 69Y C17 H19 F3 N2 O2 c1ccc(cc1)....
5 5N7O - 69Y C17 H19 F3 N2 O2 c1ccc(cc1)....
6 6HRZ - GO2 C8 H8 N4 S [H]/N=C(/N....
7 6HRY - GOE C10 H15 N3 O CCCNC(=O)N....
8 6HS1 ic50 = 0.00000001 M GO5 C16 H20 Cl N O c1cc(ccc1C....
9 6HS2 ic50 = 0.00000001 M GNZ C16 H18 F3 N O c1cc(ccc1C....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 6HRX ic50 = 0.00000001 M GO8 C8 H11 N5 S CC(C)Sc1[n....
2 6HS0 ic50 = 0.00000001 M GNW C11 H15 Cl N2 c1cc(cc(c1....
3 6HRW ic50 = 1 uM GNK C15 H18 Cl N O c1cc(ccc1C....
4 5ICJ - 69Y C17 H19 F3 N2 O2 c1ccc(cc1)....
5 5N7O - 69Y C17 H19 F3 N2 O2 c1ccc(cc1)....
6 6HRZ - GO2 C8 H8 N4 S [H]/N=C(/N....
7 6HRY - GOE C10 H15 N3 O CCCNC(=O)N....
8 6HS1 ic50 = 0.00000001 M GO5 C16 H20 Cl N O c1cc(ccc1C....
9 6HS2 ic50 = 0.00000001 M GNZ C16 H18 F3 N O c1cc(ccc1C....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 6HRX ic50 = 0.00000001 M GO8 C8 H11 N5 S CC(C)Sc1[n....
2 6HS0 ic50 = 0.00000001 M GNW C11 H15 Cl N2 c1cc(cc(c1....
3 6HRW ic50 = 1 uM GNK C15 H18 Cl N O c1cc(ccc1C....
4 5ICJ - 69Y C17 H19 F3 N2 O2 c1ccc(cc1)....
5 5N7O - 69Y C17 H19 F3 N2 O2 c1ccc(cc1)....
6 6HRZ - GO2 C8 H8 N4 S [H]/N=C(/N....
7 6HRY - GOE C10 H15 N3 O CCCNC(=O)N....
8 6HS1 ic50 = 0.00000001 M GO5 C16 H20 Cl N O c1cc(ccc1C....
9 6HS2 ic50 = 0.00000001 M GNZ C16 H18 F3 N O c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GO2; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 GO2 1 1
2 ABV 0.434783 0.8
Similar Ligands (3D)
Ligand no: 1; Ligand: GO2; Similar ligands found: 1019
No: Ligand Similarity coefficient
1 2FX 0.9920
2 N1E 0.9835
3 363 0.9783
4 3VX 0.9771
5 E1T 0.9762
6 MD6 0.9721
7 XCG 0.9721
8 N91 0.9720
9 TMG 0.9711
10 EYV 0.9708
11 QIV 0.9694
12 BQ2 0.9675
13 9ZE 0.9673
14 0JD 0.9662
15 SLS 0.9649
16 ESX 0.9637
17 6KT 0.9631
18 1F1 0.9629
19 15N 0.9625
20 PPY 0.9622
21 AOT 0.9621
22 Y3L 0.9620
23 JDN 0.9613
24 2HC 0.9613
25 F4E 0.9602
26 4I8 0.9599
27 JB8 0.9598
28 JAW 0.9589
29 0HN 0.9586
30 3VQ 0.9585
31 ESP 0.9581
32 7O4 0.9577
33 4BL 0.9576
34 X0U 0.9560
35 G14 0.9548
36 0HO 0.9544
37 3A9 0.9542
38 ZZA 0.9540
39 2HU 0.9532
40 4BY 0.9522
41 SKF 0.9522
42 5NI 0.9520
43 ICB 0.9519
44 6NI 0.9513
45 BZ2 0.9513
46 A5E 0.9509
47 X48 0.9509
48 SNO 0.9506
49 B41 0.9503
50 DRG 0.9499
51 ABI 0.9499
52 ODK 0.9496
53 6NT 0.9495
54 C2Y 0.9491
55 92P 0.9488
56 9CA 0.9488
57 LVD 0.9487
58 AN3 0.9486
59 PUE 0.9484
60 M5H 0.9483
61 4XF 0.9479
62 3NY 0.9477
63 1IT 0.9476
64 795 0.9474
65 KDV 0.9473
66 9FL 0.9473
67 C82 0.9469
68 ZHA 0.9468
69 2ZM 0.9468
70 M4E 0.9463
71 RNO 0.9453
72 3ZB 0.9453
73 8HC 0.9450
74 94W 0.9450
75 BZJ 0.9448
76 CH9 0.9448
77 61M 0.9447
78 HA5 0.9447
79 JCZ 0.9445
80 RKV 0.9444
81 1HN 0.9443
82 6N4 0.9441
83 0FK 0.9441
84 M78 0.9440
85 8ZE 0.9436
86 MSR 0.9436
87 TYL 0.9436
88 LZ5 0.9435
89 N2I 0.9432
90 EQA 0.9431
91 TSR 0.9429
92 FF2 0.9429
93 PJW 0.9428
94 GZ2 0.9427
95 GJP 0.9427
96 8XL 0.9424
97 6FB 0.9422
98 E3X 0.9415
99 S0E 0.9412
100 SNU 0.9411
101 GO8 0.9407
102 4RU 0.9403
103 4HB 0.9403
104 KYA 0.9399
105 ALE 0.9397
106 KMY 0.9397
107 4LW 0.9397
108 TYR 0.9396
109 ANF 0.9395
110 TCA 0.9393
111 HCI 0.9389
112 8NB 0.9387
113 SYE 0.9387
114 P80 0.9387
115 MPV 0.9387
116 0NX 0.9386
117 BP7 0.9386
118 IAC 0.9384
119 AA 0.9383
120 CWJ 0.9381
121 1L5 0.9381
122 A7H 0.9380
123 CPZ 0.9379
124 9R5 0.9378
125 DAH 0.9377
126 FZM 0.9373
127 ANC 0.9373
128 1A7 0.9373
129 PO6 0.9371
130 TZF 0.9371
131 6QF 0.9369
132 UNJ 0.9368
133 EVF 0.9368
134 XIZ 0.9367
135 GVY 0.9366
136 RA7 0.9365
137 IOP 0.9362
138 XI7 0.9361
139 N9J 0.9360
140 NFM 0.9359
141 FCD 0.9359
142 HX4 0.9359
143 IOS 0.9357
144 2BG 0.9356
145 VC3 0.9356
146 XDK 0.9355
147 PEY 0.9353
148 2LY 0.9350
149 5TY 0.9349
150 EUE 0.9349
151 4NP 0.9348
152 2JX 0.9346
153 4NB 0.9344
154 MAJ 0.9342
155 LL1 0.9341
156 1PS 0.9340
157 2O8 0.9340
158 27B 0.9337
159 K4V 0.9335
160 1QP 0.9335
161 LGT 0.9333
162 C1M 0.9332
163 0BP 0.9328
164 3VS 0.9327
165 7MW 0.9327
166 4BX 0.9326
167 4WL 0.9325
168 657 0.9322
169 ZYQ 0.9321
170 HC4 0.9321
171 V1T 0.9319
172 EN1 0.9317
173 9NB 0.9316
174 LQ2 0.9315
175 S0D 0.9315
176 LTN 0.9314
177 6FZ 0.9314
178 1FE 0.9313
179 KTW 0.9312
180 KLE 0.9311
181 12T 0.9310
182 BNL 0.9307
183 I2E 0.9304
184 CXH 0.9304
185 DHC 0.9304
186 5E5 0.9302
187 5GT 0.9300
188 9FE 0.9300
189 HRM 0.9300
190 5LA 0.9300
191 XDE 0.9291
192 ITE 0.9290
193 2O6 0.9288
194 R20 0.9288
195 4MB 0.9287
196 J6W 0.9286
197 NFA 0.9286
198 AMR 0.9285
199 5XC 0.9284
200 JMG 0.9284
201 7VP 0.9283
202 PHE 0.9283
203 9BF 0.9280
204 P7Y 0.9279
205 IWT 0.9278
206 N2M 0.9277
207 THA 0.9277
208 L22 0.9277
209 LEL 0.9275
210 ENO 0.9271
211 ESI 0.9271
212 6MW 0.9269
213 428 0.9269
214 97T 0.9267
215 N8Y 0.9266
216 3R4 0.9266
217 QUS 0.9263
218 2K8 0.9263
219 DEW 0.9261
220 XIY 0.9261
221 56D 0.9260
222 P9E 0.9260
223 92G 0.9259
224 36E 0.9258
225 SSC 0.9252
226 P81 0.9251
227 B1J 0.9250
228 PNP 0.9249
229 GCO 0.9247
230 EXD 0.9245
231 3D3 0.9244
232 AZM 0.9243
233 J9Q 0.9243
234 OW7 0.9242
235 4NS 0.9241
236 2GQ 0.9240
237 NAG 0.9238
238 TSS 0.9237
239 N4E 0.9236
240 4ZA 0.9236
241 36M 0.9235
242 5F5 0.9232
243 TYE 0.9228
244 A7N 0.9226
245 CK2 0.9226
246 2QC 0.9225
247 5VU 0.9223
248 AHN 0.9222
249 F9Y 0.9221
250 CFA 0.9221
251 1VK 0.9221
252 VM1 0.9216
253 SWX 0.9215
254 PRO GLY 0.9215
255 BPY 0.9214
256 E7S 0.9214
257 3IL 0.9214
258 D2G 0.9214
259 KLS 0.9213
260 HHS 0.9209
261 ZYR 0.9209
262 2P3 0.9208
263 ANN 0.9204
264 ARP 0.9203
265 BIK 0.9203
266 ZEC 0.9203
267 1M2 0.9202
268 JP2 0.9201
269 CIY 0.9199
270 PBN 0.9199
271 HBO 0.9198
272 S60 0.9198
273 36Y 0.9197
274 APS 0.9196
275 FQX 0.9196
276 PQT 0.9195
277 6TZ 0.9195
278 L99 0.9194
279 5GV 0.9194
280 5VL 0.9193
281 GGB 0.9193
282 0F9 0.9192
283 68A 0.9191
284 RSV 0.9190
285 BZQ 0.9189
286 J9N 0.9188
287 PRL 0.9188
288 C53 0.9186
289 PNZ 0.9186
290 HDH 0.9184
291 OQC 0.9184
292 TCR 0.9183
293 HIS 0.9182
294 ZSP 0.9182
295 QME 0.9180
296 BZ3 0.9180
297 BGU 0.9179
298 ZRK 0.9179
299 CKA 0.9178
300 R2P 0.9176
301 DNF 0.9176
302 HQJ 0.9176
303 4P5 0.9175
304 F4K 0.9174
305 30G 0.9172
306 PIY 0.9172
307 C0W 0.9171
308 3VW 0.9170
309 L14 0.9169
310 JG8 0.9169
311 EWG 0.9166
312 78Y 0.9165
313 9UL 0.9164
314 DE5 0.9164
315 HJH 0.9162
316 4LV 0.9162
317 I3E 0.9162
318 HPP 0.9161
319 LDP 0.9161
320 FK8 0.9160
321 5OB 0.9160
322 E5X 0.9160
323 SRO 0.9159
324 BL0 0.9152
325 4V2 0.9152
326 0UL 0.9152
327 D3G 0.9151
328 JBZ 0.9151
329 YE6 0.9151
330 LNR 0.9149
331 344 0.9149
332 3J8 0.9147
333 5H6 0.9145
334 YRL 0.9145
335 FHV 0.9144
336 0SY 0.9144
337 6RQ 0.9143
338 JAH 0.9141
339 PH2 0.9141
340 88L 0.9138
341 AJG 0.9137
342 N7I 0.9134
343 TXW 0.9134
344 AKG 0.9134
345 PPT 0.9133
346 L5V 0.9132
347 TRP 0.9131
348 15E 0.9130
349 HHI 0.9129
350 M45 0.9128
351 4KL 0.9127
352 FER 0.9127
353 4FF 0.9127
354 R9Y 0.9126
355 4TU 0.9125
356 8U3 0.9124
357 QBM 0.9124
358 3AE 0.9124
359 AES 0.9124
360 PIM 0.9123
361 PH3 0.9123
362 6SD 0.9120
363 H4B 0.9119
364 M6Z 0.9117
365 NK5 0.9116
366 80G 0.9116
367 FBF 0.9116
368 LR5 0.9114
369 8NX 0.9114
370 JF2 0.9113
371 TZP 0.9109
372 SQ4 0.9109
373 6J5 0.9108
374 2D2 0.9108
375 4AU 0.9107
376 4Z9 0.9104
377 4FA 0.9104
378 7FU 0.9104
379 PD2 0.9102
380 KTJ 0.9102
381 MP5 0.9100
382 RD4 0.9100
383 S2G 0.9097
384 FBB 0.9096
385 K7H 0.9095
386 M3H 0.9094
387 JF1 0.9094
388 DTR 0.9093
389 5OO 0.9091
390 7ZL 0.9090
391 H7Y 0.9089
392 EV2 0.9089
393 FUD 0.9087
394 OGA 0.9087
395 ONR 0.9083
396 5B2 0.9083
397 4Z3 0.9081
398 H5B 0.9081
399 GNM 0.9081
400 K2T 0.9080
401 BVS 0.9079
402 TT4 0.9077
403 OHJ 0.9076
404 A29 0.9076
405 BNF 0.9073
406 5DL 0.9072
407 5RO 0.9072
408 HNT 0.9072
409 S0W 0.9071
410 AJ1 0.9068
411 C9M 0.9067
412 3QV 0.9067
413 OTR 0.9066
414 DEZ 0.9065
415 S2P 0.9065
416 EE8 0.9065
417 HNK 0.9065
418 27K 0.9065
419 0FR 0.9062
420 0TU 0.9062
421 ZME 0.9061
422 4JQ 0.9061
423 4NZ 0.9061
424 2PV 0.9061
425 3W8 0.9060
426 OA1 0.9059
427 492 0.9059
428 FHC 0.9059
429 KF5 0.9059
430 A5H 0.9059
431 K82 0.9058
432 N2Z 0.9057
433 QBP 0.9057
434 LSQ 0.9056
435 3XH 0.9056
436 BZE 0.9056
437 ICO 0.9054
438 MS9 0.9054
439 2HG 0.9053
440 PCS 0.9052
441 MQN 0.9052
442 5RN 0.9052
443 8W9 0.9050
444 YE7 0.9050
445 54X 0.9049
446 6ZX 0.9046
447 4FE 0.9046
448 OOG 0.9045
449 2FY 0.9045
450 GF4 0.9045
451 PIQ 0.9045
452 DNA 0.9044
453 TZM 0.9043
454 J38 0.9042
455 TU0 0.9042
456 833 0.9041
457 7AP 0.9040
458 URO 0.9040
459 HJ7 0.9039
460 8G0 0.9038
461 SHI 0.9037
462 IQ5 0.9037
463 AMH 0.9035
464 YPN 0.9035
465 SG2 0.9034
466 259 0.9033
467 JRB 0.9031
468 A5P 0.9031
469 7MX 0.9030
470 LR8 0.9028
471 TB8 0.9027
472 BIO 0.9025
473 CC5 0.9024
474 VXX 0.9023
475 DVQ 0.9022
476 0W1 0.9022
477 H4E 0.9021
478 8WT 0.9021
479 52C 0.9020
480 AJY 0.9019
481 PDC 0.9018
482 D8Q 0.9017
483 W81 0.9015
484 GOE 0.9014
485 E1P 0.9014
486 DTY 0.9013
487 INO 0.9013
488 6Q3 0.9012
489 DDU 0.9010
490 LO1 0.9010
491 1Z6 0.9010
492 NPA 0.9009
493 4BZ 0.9007
494 B40 0.9005
495 6HO 0.9005
496 BVA 0.9004
497 5V7 0.9004
498 S8V 0.9003
499 ERZ 0.9003
500 HL4 0.9002
501 4NM 0.9002
502 8D6 0.9001
503 KJU 0.9000
504 ARG 0.9000
505 TJM 0.8999
506 S7J 0.8996
507 F40 0.8995
508 4YO 0.8994
509 JND 0.8993
510 GWM 0.8993
511 HFA 0.8988
512 FDR 0.8986
513 717 0.8985
514 MXD 0.8984
515 GJK 0.8983
516 HHR 0.8983
517 JA5 0.8983
518 0K7 0.8982
519 2PK 0.8982
520 NDG 0.8982
521 X11 0.8982
522 BPN 0.8982
523 CS2 0.8980
524 268 0.8980
525 L03 0.8978
526 2JK 0.8978
527 UN1 0.8977
528 M4N 0.8976
529 DHR 0.8975
530 6FG 0.8975
531 BNX 0.8974
532 PBA 0.8974
533 NNO 0.8970
534 DHI 0.8969
535 NCT 0.8969
536 K3D 0.8967
537 PLP 0.8966
538 DXK 0.8965
539 2FQ 0.8965
540 NGA 0.8964
541 4AB 0.8964
542 DZA 0.8960
543 6C8 0.8960
544 YTX 0.8959
545 BHS 0.8959
546 42J 0.8958
547 N0Z 0.8958
548 VFG 0.8958
549 GB5 0.8957
550 YIP 0.8956
551 TGX 0.8955
552 A6W 0.8955
553 PFF 0.8952
554 2UD 0.8950
555 AEH 0.8948
556 ET2 0.8948
557 SOR 0.8948
558 5LD 0.8947
559 5TZ 0.8947
560 5SJ 0.8946
561 AEF 0.8946
562 2BX 0.8945
563 MMS 0.8945
564 VNL 0.8945
565 B21 0.8945
566 4CN 0.8945
567 22L 0.8943
568 2F6 0.8943
569 AM4 0.8943
570 HSX 0.8941
571 S8G 0.8941
572 6L6 0.8941
573 LR2 0.8941
574 EQW 0.8940
575 XRS 0.8939
576 KYN 0.8939
577 LFQ 0.8939
578 BK9 0.8939
579 MR1 0.8939
580 GDL 0.8938
581 8CC 0.8936
582 4Z1 0.8936
583 ES2 0.8936
584 5F8 0.8936
585 B56 0.8935
586 TIA 0.8934
587 173 0.8934
588 4R1 0.8933
589 YZM 0.8932
590 ZIQ 0.8931
591 DPN 0.8931
592 G6P 0.8931
593 6VD 0.8930
594 4CM 0.8930
595 3HM 0.8930
596 F31 0.8930
597 GLO 0.8929
598 8WO 0.8928
599 HWD 0.8927
600 2WU 0.8927
601 6P3 0.8926
602 M3P 0.8925
603 QMS 0.8925
604 3R6 0.8924
605 505 0.8924
606 1EB 0.8923
607 HBI 0.8920
608 L1T 0.8920
609 H2B 0.8920
610 JLZ 0.8920
611 47V 0.8920
612 S98 0.8919
613 VGD 0.8919
614 0F3 0.8918
615 BG6 0.8918
616 DPT 0.8918
617 5WN 0.8917
618 LJ3 0.8917
619 YZ9 0.8917
620 GLU 0.8916
621 RM1 0.8915
622 TWO 0.8914
623 3W3 0.8913
624 3W6 0.8913
625 ODO 0.8913
626 JA8 0.8913
627 U7E 0.8912
628 II4 0.8912
629 5O6 0.8911
630 2HO 0.8911
631 AAN 0.8911
632 OVM 0.8910
633 OW4 0.8908
634 6C9 0.8908
635 OVP 0.8908
636 IYR 0.8908
637 4A3 0.8908
638 TAG 0.8907
639 CUW 0.8903
640 8YH 0.8903
641 MUK 0.8903
642 OLU 0.8903
643 93K 0.8903
644 FHB 0.8903
645 SN4 0.8902
646 4JE 0.8902
647 1P8 0.8902
648 DHB 0.8900
649 PQM 0.8899
650 1BN 0.8898
651 M2K 0.8897
652 GVG 0.8896
653 ZEA 0.8894
654 0DF 0.8894
655 RCV 0.8894
656 FTV 0.8893
657 E4P 0.8892
658 2HQ 0.8890
659 CSN 0.8890
660 BPU 0.8890
661 PMP 0.8889
662 DK1 0.8888
663 55D 0.8888
664 P7V 0.8888
665 A98 0.8887
666 2KA 0.8887
667 GB4 0.8887
668 6ZW 0.8886
669 3XR 0.8886
670 WV7 0.8885
671 Z5P 0.8885
672 HHH 0.8885
673 M4S 0.8885
674 BA5 0.8883
675 5FL 0.8881
676 UFO 0.8881
677 FWD 0.8880
678 AY4 0.8880
679 6HP 0.8879
680 SYV 0.8878
681 2LW 0.8875
682 3PF 0.8875
683 3SU 0.8875
684 A9B 0.8873
685 ENW 0.8872
686 GOJ 0.8872
687 49P 0.8872
688 11X 0.8871
689 9FH 0.8871
690 GXD 0.8870
691 2UZ 0.8870
692 6C4 0.8869
693 NFZ 0.8868
694 5TO 0.8868
695 4TP 0.8868
696 CLW 0.8868
697 KLV 0.8868
698 9AP 0.8867
699 LDR 0.8867
700 PHU 0.8866
701 ES5 0.8863
702 D48 0.8863
703 V2Z 0.8860
704 7EH 0.8860
705 D1G 0.8860
706 36R 0.8860
707 8MO 0.8860
708 CWD 0.8858
709 F5C 0.8857
710 4NC 0.8857
711 9TW 0.8856
712 0OK 0.8855
713 J5I 0.8855
714 PRZ 0.8851
715 P4L 0.8850
716 GLN 0.8849
717 5VM 0.8849
718 MYJ 0.8849
719 G3E 0.8849
720 NIZ 0.8848
721 MZM 0.8847
722 68B 0.8846
723 AX3 0.8846
724 ABF 0.8846
725 VUP 0.8846
726 MTL 0.8845
727 BSA 0.8845
728 0LO 0.8845
729 CHB 0.8845
730 D9Z 0.8845
731 ONH 0.8844
732 KDG 0.8843
733 P93 0.8843
734 JB5 0.8840
735 CTE 0.8839
736 4ME 0.8837
737 IV2 0.8837
738 ZIP 0.8835
739 03V 0.8835
740 F02 0.8835
741 Z21 0.8835
742 JGB 0.8834
743 SE2 0.8832
744 I3A 0.8831
745 CHQ 0.8831
746 MQB 0.8830
747 EMZ 0.8830
748 6DP 0.8829
749 M4T 0.8829
750 BGP 0.8827
751 TID 0.8827
752 1X4 0.8826
753 J1K 0.8826
754 9KZ 0.8825
755 2AQ 0.8824
756 3C4 0.8824
757 Z13 0.8824
758 DQU 0.8824
759 HG3 0.8823
760 BWD 0.8821
761 5GU 0.8821
762 EA1 0.8820
763 A5Q 0.8820
764 BHO 0.8817
765 4FS 0.8817
766 SSB 0.8816
767 PLP PMP 0.8813
768 BEA 0.8813
769 A51 0.8813
770 ISZ 0.8812
771 4BF 0.8811
772 NLA 0.8811
773 549 0.8811
774 E1K 0.8811
775 A2G 0.8810
776 F2W 0.8810
777 GLP 0.8810
778 PRF 0.8810
779 209 0.8810
780 P9P 0.8810
781 DHY 0.8810
782 2J1 0.8809
783 C4E 0.8809
784 QX4 0.8808
785 6C5 0.8808
786 OTW 0.8806
787 52F 0.8805
788 CCU 0.8805
789 92O 0.8804
790 K7M 0.8804
791 JYT 0.8803
792 YIE 0.8803
793 STT 0.8802
794 SHA 0.8801
795 H42 0.8800
796 GZL 0.8798
797 SJK 0.8798
798 1XS 0.8797
799 OCH 0.8796
800 HPT 0.8795
801 50C 0.8794
802 SB7 0.8793
803 3D8 0.8793
804 7I2 0.8793
805 069 0.8792
806 PQK 0.8791
807 5WT 0.8790
808 COU 0.8789
809 ZYX 0.8788
810 GHM 0.8788
811 LYS 0.8787
812 5RP 0.8786
813 LIP 0.8785
814 IBP 0.8785
815 44W 0.8783
816 IL5 0.8782
817 MRW 0.8781
818 5XB 0.8780
819 ZRL 0.8780
820 4JT 0.8776
821 7MU 0.8776
822 CFI 0.8774
823 DEE 0.8773
824 HH6 0.8771
825 XFE 0.8766
826 3Y7 0.8766
827 ASC 0.8765
828 MVN 0.8764
829 5QY 0.8763
830 1ZC 0.8761
831 F18 0.8761
832 1QV 0.8760
833 RVE 0.8757
834 PRA 0.8756
835 U13 0.8756
836 CIR 0.8754
837 NF3 0.8752
838 HSO 0.8752
839 4JC 0.8752
840 BRH 0.8749
841 4GU 0.8747
842 0N7 0.8745
843 0FN 0.8745
844 28A 0.8744
845 JF8 0.8742
846 E79 0.8741
847 DNC 0.8741
848 AP6 0.8740
849 A6P 0.8738
850 1AJ 0.8738
851 AMQ 0.8737
852 0FO 0.8737
853 DXP 0.8731
854 2QU 0.8731
855 MS0 0.8730
856 IHB 0.8730
857 SOJ 0.8730
858 NY4 0.8725
859 NDD 0.8724
860 MNP 0.8723
861 XHP 0.8723
862 EAE 0.8723
863 CX6 0.8722
864 1V3 0.8721
865 2JJ 0.8718
866 XAZ 0.8718
867 MKN 0.8717
868 3HG 0.8715
869 DIN 0.8715
870 1WC 0.8715
871 650 0.8714
872 DAR 0.8711
873 FYR 0.8710
874 535 0.8710
875 PAC 0.8707
876 E9S 0.8705
877 BY5 0.8705
878 4VY 0.8703
879 K48 0.8701
880 SQ7 0.8701
881 86J 0.8701
882 1DR 0.8701
883 AMS 0.8700
884 A7W 0.8699
885 IPO 0.8698
886 AH9 0.8698
887 B62 0.8698
888 4SX 0.8696
889 HQD 0.8695
890 X0V 0.8695
891 ET0 0.8694
892 7QD 0.8693
893 4G2 0.8693
894 5NN 0.8693
895 44V 0.8691
896 AOY 0.8688
897 49O 0.8687
898 64Z 0.8687
899 X04 0.8686
900 RP3 0.8685
901 5TT 0.8685
902 TPA 0.8684
903 DUR 0.8683
904 AJV 0.8683
905 JYB 0.8683
906 S7S 0.8682
907 K25 0.8682
908 THM 0.8681
909 BBK 0.8680
910 M6P 0.8680
911 6DQ 0.8679
912 L15 0.8679
913 CNI 0.8679
914 6ME 0.8678
915 AX7 0.8677
916 GNV 0.8676
917 FMQ 0.8675
918 7W1 0.8672
919 CWS 0.8671
920 RYV 0.8670
921 KUF 0.8670
922 Q02 0.8668
923 SR1 0.8667
924 IQZ 0.8667
925 28N 0.8663
926 KP2 0.8662
927 3PG 0.8655
928 TTL 0.8655
929 DOB 0.8654
930 B85 0.8649
931 GC2 0.8646
932 NKI 0.8646
933 R9J 0.8645
934 FA0 0.8645
935 INE 0.8645
936 KLK 0.8643
937 WLH 0.8643
938 F9P 0.8642
939 X2M 0.8642
940 9JT 0.8641
941 LUM 0.8640
942 4FH 0.8637
943 PBZ 0.8636
944 397 0.8636
945 A73 0.8635
946 RP5 0.8634
947 4MA 0.8632
948 1V1 0.8631
949 5SP 0.8630
950 3GX 0.8630
951 BGC 0.8630
952 SZ7 0.8627
953 9CE 0.8627
954 CLZ 0.8627
955 LZ2 0.8626
956 0OL 0.8624
957 MFZ 0.8621
958 VFM 0.8620
959 URC 0.8619
960 NPO 0.8619
961 K34 0.8617
962 PHB 0.8616
963 45L 0.8614
964 TTY 0.8614
965 26C 0.8614
966 8NY 0.8613
967 MR6 0.8613
968 4Z4 0.8613
969 M83 0.8612
970 KBZ 0.8612
971 T03 0.8610
972 FP1 0.8610
973 8TX 0.8608
974 KW8 0.8608
975 HNE 0.8607
976 HBD 0.8602
977 0XT 0.8600
978 J9T 0.8599
979 152 0.8599
980 SKA 0.8598
981 0XR 0.8594
982 1Y6 0.8594
983 NRA 0.8594
984 Z82 0.8593
985 8G6 0.8590
986 L1O 0.8589
987 FK1 0.8589
988 1P7 0.8585
989 PZM 0.8584
990 1V4 0.8582
991 MLZ 0.8581
992 EUG 0.8580
993 LIG 0.8580
994 4AA 0.8578
995 4HM 0.8578
996 11S 0.8575
997 M1Q 0.8575
998 D1Y 0.8572
999 PQZ 0.8571
1000 JGY 0.8570
1001 KMH 0.8565
1002 J9W 0.8564
1003 Y0V 0.8564
1004 DX2 0.8561
1005 0P6 0.8554
1006 DC5 0.8553
1007 39Z 0.8549
1008 D25 0.8549
1009 DT7 0.8547
1010 P4T 0.8544
1011 HL6 0.8544
1012 4ZF 0.8543
1013 LZM 0.8542
1014 AJ2 0.8541
1015 EES 0.8541
1016 BBY 0.8537
1017 ZZU 0.8532
1018 L46 0.8526
1019 2AL 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6HS2; Ligand: GNZ; 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: 6hs2.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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