Receptor
PDB id Resolution Class Description Source Keywords
4RLF 1.73 Å EC: 6.-.-.- CRYSTAL STRUCTURE OF A BENZOATE COENZYME A LIGASE WITH P-TOL AND O-TOLUIC ACID RHODOPSEUDOMONAS PALUSTRIS SUBSTRATE SPECIFICITY KINETICS LIGASE
Ref.: KINETICALLY AND CRYSTALLOGRAPHICALLY GUIDED MUTATIO BENZOATE COA LIGASE (BADA) ELUCIDATE MECHANISM AND SUBSTRATE PERMISSIVITY. BIOCHEMISTRY V. 54 6230 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:1002;
B:1003;
B:1006;
B:1005;
A:1002;
B:1007;
B:1004;
A:1003;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
4MA A:1001;
B:1001;
Valid;
Valid;
none;
none;
submit data
136.148 C8 H8 O2 Cc1cc...
3SK A:1000;
B:1000;
Valid;
Valid;
none;
none;
submit data
136.148 C8 H8 O2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RLQ 1.63 Å EC: 6.-.-.- CRYSTAL STRUCTURE OF A BENZOATE COENZYME A LIGASE WITH O-TOL RHODOPSEUDOMONAS PALUSTRIS SUBSTRATE SPECIFICITY KINETICS LIGASE
Ref.: KINETICALLY AND CRYSTALLOGRAPHICALLY GUIDED MUTATIO BENZOATE COA LIGASE (BADA) ELUCIDATE MECHANISM AND SUBSTRATE PERMISSIVITY. BIOCHEMISTRY V. 54 6230 2015
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4RLQ - 3SK C8 H8 O2 Cc1ccccc1C....
2 4RM2 - 3U4 C7 H5 F O2 c1ccc(c(c1....
3 4RMN - C21 C5 H4 O2 S c1cc(sc1)C....
4 4RM3 - FOA C5 H4 O3 c1cc(oc1)C....
5 4RLF - 4MA C8 H8 O2 Cc1ccc(cc1....
6 4ZJZ - OOB C17 H18 N5 O8 P c1ccc(cc1)....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 4RLQ - 3SK C8 H8 O2 Cc1ccccc1C....
2 4RM2 - 3U4 C7 H5 F O2 c1ccc(c(c1....
3 4RMN - C21 C5 H4 O2 S c1cc(sc1)C....
4 4RM3 - FOA C5 H4 O3 c1cc(oc1)C....
5 4RLF - 4MA C8 H8 O2 Cc1ccc(cc1....
6 4ZJZ - OOB C17 H18 N5 O8 P c1ccc(cc1)....
7 2V7B - BEZ C7 H6 O2 c1ccc(cc1)....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 4RLQ - 3SK C8 H8 O2 Cc1ccccc1C....
2 4RM2 - 3U4 C7 H5 F O2 c1ccc(c(c1....
3 4RMN - C21 C5 H4 O2 S c1cc(sc1)C....
4 4RM3 - FOA C5 H4 O3 c1cc(oc1)C....
5 4RLF - 4MA C8 H8 O2 Cc1ccc(cc1....
6 4ZJZ - OOB C17 H18 N5 O8 P c1ccc(cc1)....
7 2V7B - BEZ C7 H6 O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4MA; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 4MA 1 1
2 ANN 0.483871 0.611111
3 1Y6 0.466667 0.625
4 174 0.466667 0.625
5 MBO 0.466667 0.714286
6 Z82 0.466667 0.625
7 3AE 0.424242 0.625
8 BEZ 0.413793 0.909091
9 OVV 0.411765 1
10 AW5 0.4 0.647059
Ligand no: 2; Ligand: 3SK; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 3SK 1 1
2 PHT 0.555556 0.705882
3 JKE 0.454545 0.6
4 7WV 0.454545 0.666667
5 3U4 0.454545 0.666667
6 3GQ 0.451613 0.705882
7 5NE 0.447368 0.647059
8 9TZ 0.416667 0.722222
Similar Ligands (3D)
Ligand no: 1; Ligand: 4MA; Similar ligands found: 1139
No: Ligand Similarity coefficient
1 PHB 1.0000
2 PAB 1.0000
3 HBD 1.0000
4 PBZ 1.0000
5 P72 1.0000
6 SW7 1.0000
7 NPO 1.0000
8 826 1.0000
9 AC6 0.9980
10 4BZ 0.9818
11 PNZ 0.9774
12 E5X 0.9760
13 HBA 0.9745
14 AMH 0.9738
15 4NM 0.9735
16 NCA 0.9730
17 DHB 0.9722
18 JLZ 0.9722
19 FHB 0.9720
20 HDH 0.9717
21 4A3 0.9717
22 2HO 0.9717
23 SN4 0.9717
24 BEN 0.9713
25 NNO 0.9712
26 4NC 0.9711
27 XX2 0.9711
28 93K 0.9706
29 3HM 0.9704
30 BHA 0.9695
31 DOB 0.9689
32 BAM 0.9689
33 BPN 0.9689
34 PBC 0.9689
35 4M0 0.9687
36 6PC 0.9685
37 FA0 0.9683
38 MYJ 0.9681
39 NIO 0.9680
40 INO 0.9674
41 5CU 0.9660
42 P9P 0.9658
43 9TW 0.9656
44 FQI 0.9656
45 CHB 0.9653
46 4P5 0.9644
47 UNU 0.9641
48 NTN 0.9639
49 5NU 0.9637
50 BZ3 0.9627
51 QSB 0.9627
52 4VP 0.9626
53 4ZA 0.9625
54 4WL 0.9624
55 NBZ 0.9623
56 GUA 0.9615
57 4J8 0.9614
58 SAN 0.9613
59 TSU 0.9612
60 FCR 0.9610
61 FBS 0.9610
62 IHB 0.9610
63 PZA 0.9610
64 AC0 0.9608
65 BE7 0.9607
66 AAS 0.9606
67 AX7 0.9605
68 4JL 0.9604
69 SS1 0.9603
70 OTR 0.9592
71 QSC 0.9587
72 YCP 0.9585
73 5OB 0.9583
74 BNS 0.9583
75 ABV 0.9578
76 VGL 0.9572
77 PHU 0.9564
78 JAE 0.9561
79 259 0.9560
80 CFI 0.9551
81 H8N 0.9546
82 JZ7 0.9545
83 HMH 0.9544
84 AMS 0.9541
85 4JM 0.9530
86 TYL 0.9526
87 M4T 0.9525
88 270 0.9525
89 2AQ 0.9524
90 AEF 0.9523
91 03V 0.9522
92 DHR 0.9522
93 XM0 0.9522
94 2MI 0.9521
95 4FA 0.9518
96 2K4 0.9514
97 11S 0.9514
98 4FS 0.9513
99 14O 0.9507
100 H42 0.9507
101 5H1 0.9503
102 FBB 0.9503
103 F60 0.9502
104 JB5 0.9501
105 5MI 0.9499
106 OCH 0.9499
107 RSO 0.9499
108 TPA 0.9499
109 ES5 0.9496
110 OAA 0.9494
111 M58 0.9492
112 COU 0.9491
113 FBA 0.9490
114 MLT 0.9486
115 5XC 0.9485
116 TH7 0.9483
117 ISZ 0.9481
118 MS9 0.9480
119 CLW 0.9480
120 SAL 0.9473
121 4AA 0.9472
122 FAN 0.9470
123 8WO 0.9466
124 ET2 0.9464
125 K2T 0.9463
126 BHO 0.9459
127 IPB 0.9456
128 5WV 0.9455
129 717 0.9452
130 MSR 0.9451
131 0HO 0.9445
132 OK7 0.9444
133 BE2 0.9439
134 3PF 0.9439
135 1PT 0.9434
136 H4N 0.9433
137 FK1 0.9433
138 5MB 0.9431
139 1M2 0.9431
140 XQ0 0.9428
141 2CK 0.9428
142 BZX 0.9426
143 6AI 0.9426
144 IT2 0.9426
145 6RQ 0.9423
146 ES2 0.9423
147 HC4 0.9423
148 SRT 0.9422
149 0HN 0.9421
150 AMC 0.9419
151 YRL 0.9419
152 TZF 0.9418
153 36R 0.9417
154 RB5 0.9417
155 XYL 0.9417
156 67N 0.9416
157 C2B 0.9410
158 I3E 0.9409
159 C1M 0.9406
160 ES9 0.9405
161 K34 0.9404
162 VGD 0.9404
163 2FY 0.9402
164 NIZ 0.9401
165 SNU 0.9400
166 NPY 0.9397
167 6NT 0.9397
168 3NY 0.9397
169 6NI 0.9396
170 GJZ 0.9396
171 2HU 0.9394
172 4SV 0.9394
173 5QY 0.9394
174 UGC 0.9391
175 QUZ 0.9390
176 2ZM 0.9390
177 8NY 0.9388
178 5NI 0.9386
179 S2G 0.9386
180 SKM 0.9386
181 DYA 0.9385
182 PAC 0.9384
183 5VM 0.9382
184 173 0.9382
185 1F1 0.9381
186 XIY 0.9381
187 3A9 0.9380
188 3HB 0.9378
189 PZM 0.9376
190 ODO 0.9376
191 1P8 0.9375
192 8ZE 0.9375
193 AL0 0.9371
194 C21 0.9371
195 JAW 0.9369
196 CPZ 0.9369
197 D48 0.9368
198 3ID 0.9361
199 TIU 0.9361
200 3U4 0.9358
201 FYU 0.9358
202 2BG 0.9358
203 DMD 0.9358
204 ABI 0.9355
205 7W1 0.9352
206 GAB 0.9351
207 ES7 0.9349
208 14J 0.9349
209 GDE 0.9348
210 BP9 0.9348
211 TTL 0.9348
212 BZ2 0.9347
213 4CS 0.9347
214 COI 0.9346
215 PIM 0.9345
216 36Y 0.9345
217 GLU 0.9343
218 SYV 0.9342
219 KKN 0.9342
220 4XR 0.9341
221 CXF 0.9338
222 BCU 0.9338
223 4JT 0.9337
224 MQN 0.9336
225 1SA 0.9334
226 SE2 0.9333
227 M1A 0.9333
228 4SX 0.9332
229 8GC 0.9331
230 ES6 0.9330
231 JKE 0.9330
232 ISN 0.9330
233 4JQ 0.9329
234 F9Y 0.9329
235 3AB 0.9329
236 FBM 0.9328
237 M4S 0.9327
238 HX3 0.9327
239 LNR 0.9326
240 G3E 0.9324
241 IFP 0.9324
242 DE5 0.9324
243 J5I 0.9323
244 SS2 0.9323
245 JA8 0.9322
246 F9P 0.9322
247 J9Q 0.9322
248 2A9 0.9319
249 ZXD 0.9317
250 F4E 0.9316
251 94W 0.9316
252 ICB 0.9314
253 I1E 0.9313
254 CTL 0.9313
255 DHK 0.9312
256 PYF 0.9311
257 FPI 0.9310
258 CWJ 0.9309
259 WCE 0.9308
260 DEN 0.9308
261 53C 0.9307
262 JBE 0.9306
263 0TU 0.9305
264 86J 0.9304
265 E7Z 0.9303
266 5QX 0.9303
267 AKG 0.9302
268 X0V 0.9301
269 7W4 0.9300
270 5HN 0.9300
271 HHH 0.9298
272 4NB 0.9297
273 FB2 0.9297
274 4Z4 0.9296
275 97T 0.9296
276 4FH 0.9296
277 8H8 0.9295
278 AHR 0.9290
279 7WG 0.9286
280 LQ2 0.9286
281 4JC 0.9284
282 3NT 0.9283
283 P92 0.9281
284 SKA 0.9281
285 HBX 0.9281
286 SYN 0.9280
287 12Q 0.9280
288 EKZ 0.9278
289 5LA 0.9278
290 NMJ 0.9278
291 CN0 0.9277
292 TZC 0.9276
293 7WV 0.9275
294 RHU 0.9272
295 3HA 0.9271
296 LCN 0.9270
297 JB8 0.9269
298 LMR 0.9269
299 HHA 0.9269
300 JDN 0.9268
301 HY1 0.9267
302 L99 0.9267
303 6FZ 0.9266
304 4JU 0.9265
305 IV2 0.9264
306 M3H 0.9264
307 PIY 0.9264
308 1DV 0.9263
309 6M9 0.9262
310 FE DB1 0.9262
311 LDP 0.9261
312 2MH 0.9259
313 N2I 0.9258
314 TGX 0.9257
315 ABN 0.9257
316 NDH 0.9257
317 DBH 0.9256
318 3M0 0.9256
319 3F0 0.9255
320 KOJ 0.9255
321 PEA 0.9254
322 KBZ 0.9250
323 1WD 0.9248
324 2RH 0.9248
325 BSX 0.9246
326 ASP 0.9245
327 ASO 0.9244
328 HQT 0.9243
329 PRO 0.9242
330 PMB 0.9241
331 4YO 0.9241
332 NBE 0.9240
333 SHA 0.9238
334 QSH 0.9237
335 PY7 0.9236
336 BRT 0.9236
337 MXN 0.9232
338 PKU 0.9231
339 NOY 0.9231
340 OKG 0.9230
341 SPA 0.9230
342 B57 0.9229
343 IDM 0.9229
344 F05 0.9229
345 3BZ 0.9227
346 JBK 0.9226
347 IND 0.9226
348 2HQ 0.9225
349 BZI 0.9224
350 TP5 0.9221
351 3OC 0.9220
352 FGZ 0.9219
353 2FT 0.9218
354 L14 0.9216
355 RBL 0.9216
356 3SK 0.9215
357 XUL 0.9212
358 282 0.9211
359 HMU 0.9210
360 LDU 0.9210
361 LZ1 0.9210
362 XRG 0.9210
363 PXL 0.9210
364 GOJ 0.9209
365 JBN 0.9208
366 1MR 0.9207
367 54D 0.9205
368 A5E 0.9205
369 FOA 0.9205
370 265 0.9204
371 7N0 0.9204
372 PZI 0.9203
373 268 0.9202
374 MR1 0.9200
375 R8V 0.9200
376 DS0 0.9199
377 SMV 0.9199
378 NOJ 0.9196
379 3MB 0.9194
380 273 0.9193
381 SNO 0.9188
382 JZ5 0.9188
383 IFL 0.9186
384 8K2 0.9186
385 0RW 0.9184
386 24B 0.9183
387 2PC 0.9182
388 KDV 0.9179
389 HIS 0.9179
390 BZF 0.9178
391 FP1 0.9177
392 OVM 0.9177
393 6M4 0.9174
394 ESX 0.9173
395 0R1 0.9172
396 4VY 0.9172
397 G2F 0.9172
398 GYE 0.9171
399 JZ9 0.9169
400 GLC 0.9167
401 2LP 0.9166
402 NSP 0.9166
403 52C 0.9164
404 BML 0.9163
405 15E 0.9162
406 PYC 0.9161
407 3DM 0.9160
408 QY9 0.9159
409 HQE 0.9159
410 PXY 0.9158
411 LG4 0.9157
412 MRZ 0.9155
413 3DO 0.9155
414 FUD 0.9153
415 PCR 0.9153
416 RNO 0.9152
417 ZBT 0.9152
418 RAT 0.9151
419 IFM 0.9151
420 OGA 0.9151
421 OXZ 0.9150
422 UY7 0.9149
423 BGC 0.9148
424 ZZT 0.9146
425 E7S 0.9146
426 J6W 0.9146
427 R8S 0.9144
428 MPI 0.9142
429 OHG 0.9142
430 R2B 0.9140
431 KMT 0.9140
432 25R 0.9140
433 EA1 0.9139
434 4CH 0.9138
435 1DW 0.9136
436 HYP 0.9135
437 0CT 0.9135
438 J9T 0.9132
439 BDP 0.9131
440 GVH 0.9130
441 PCA 0.9130
442 SVN 0.9130
443 9EW 0.9128
444 XYP 0.9128
445 GGL 0.9126
446 ASN 0.9126
447 RIB 0.9125
448 A7W 0.9124
449 PLQ 0.9121
450 9CL 0.9120
451 KJU 0.9120
452 60P 0.9119
453 AEG 0.9119
454 5GU 0.9118
455 2HG 0.9118
456 YPN 0.9115
457 HLR 0.9115
458 LT2 0.9115
459 0JD 0.9115
460 MAE 0.9115
461 SEP 0.9114
462 GLN 0.9114
463 URS 0.9114
464 LXC 0.9114
465 KTJ 0.9113
466 FPN 0.9111
467 DIN 0.9109
468 HSO 0.9109
469 MET 0.9108
470 MRY 0.9105
471 4JP 0.9105
472 A29 0.9104
473 4HS 0.9103
474 1IT 0.9102
475 IF7 0.9102
476 DA1 0.9101
477 8OZ 0.9100
478 258 0.9100
479 JZ3 0.9098
480 1SQ 0.9098
481 MNN 0.9097
482 VNJ 0.9096
483 URO 0.9096
484 PEL 0.9096
485 IXW 0.9096
486 ASC 0.9094
487 QMP 0.9092
488 OXQ 0.9092
489 VNL 0.9091
490 4JN 0.9090
491 GAG 0.9089
492 9CA 0.9088
493 GTR 0.9088
494 PBA 0.9088
495 DGN 0.9087
496 MRW 0.9086
497 G4D 0.9086
498 TH0 0.9086
499 RMN 0.9085
500 9FL 0.9084
501 1LQ 0.9083
502 1DJ 0.9082
503 XBT 0.9082
504 J9N 0.9082
505 ESP 0.9082
506 GAL 0.9081
507 12T 0.9079
508 3BU 0.9075
509 SMN 0.9074
510 DGJ 0.9073
511 LPK 0.9073
512 GRE 0.9069
513 2HC 0.9069
514 1DU 0.9069
515 B85 0.9069
516 7MU 0.9065
517 3QM 0.9064
518 1NP 0.9064
519 KTA 0.9063
520 HCS 0.9062
521 9RW 0.9062
522 5SG 0.9061
523 FPY 0.9061
524 FBV 0.9061
525 HHI 0.9061
526 QWN 0.9060
527 BEA 0.9059
528 NK 0.9056
529 261 0.9056
530 24W 0.9056
531 6M1 0.9056
532 HPS 0.9054
533 GBD 0.9053
534 M45 0.9052
535 4XV 0.9050
536 Q88 0.9050
537 5IQ 0.9049
538 4HP 0.9049
539 9R5 0.9049
540 1MC 0.9048
541 A7N 0.9048
542 NYL 0.9045
543 XLS 0.9045
544 PEP 0.9044
545 DHS 0.9043
546 5Q0 0.9040
547 0BP 0.9040
548 PRS 0.9040
549 PYJ 0.9040
550 ES1 0.9038
551 69O 0.9038
552 I3A 0.9038
553 HSE 0.9037
554 PO6 0.9036
555 ADA 0.9036
556 FBF 0.9035
557 4HM 0.9035
558 QXW 0.9033
559 HQY 0.9032
560 0P6 0.9032
561 ICO 0.9032
562 36E 0.9031
563 4XS 0.9031
564 URP 0.9031
565 SD4 0.9029
566 N5J 0.9029
567 5RN 0.9028
568 L3Q 0.9027
569 KUF 0.9027
570 23A 0.9026
571 ES0 0.9025
572 FB1 0.9025
573 SJ5 0.9025
574 JPZ 0.9025
575 15N 0.9024
576 M6W 0.9023
577 ICF 0.9022
578 4YS 0.9021
579 449 0.9021
580 92K 0.9020
581 R9Y 0.9018
582 0R0 0.9017
583 M6N 0.9016
584 IOL 0.9015
585 GZL 0.9015
586 1P3 0.9014
587 1P7 0.9013
588 E1T 0.9012
589 ILE 0.9012
590 FBJ 0.9012
591 MEV 0.9011
592 FDB 0.9010
593 RNS 0.9010
594 45L 0.9008
595 8CM 0.9007
596 JAB 0.9006
597 TAR 0.9006
598 F31 0.9006
599 069 0.9005
600 A09 0.9005
601 9X7 0.9004
602 6F0 0.9004
603 AZF 0.9004
604 HSM 0.9003
605 CWM 0.9001
606 N2Z 0.9000
607 FA1 0.9000
608 0V5 0.9000
609 2D0 0.8999
610 7HQ 0.8999
611 CWS 0.8999
612 PEQ 0.8997
613 HX2 0.8996
614 TLA 0.8996
615 UFV 0.8995
616 NLE 0.8994
617 SIN 0.8993
618 HH5 0.8993
619 PYD 0.8992
620 M2K 0.8991
621 0FN 0.8990
622 9TZ 0.8989
623 HQJ 0.8988
624 GWM 0.8984
625 AZ9 0.8983
626 82I 0.8983
627 RM1 0.8983
628 Q24 0.8982
629 DGL 0.8981
630 42J 0.8980
631 NCT 0.8980
632 AHB 0.8980
633 SME 0.8979
634 B53 0.8979
635 GCU 0.8978
636 MCT 0.8978
637 IWT 0.8977
638 275 0.8976
639 M5K 0.8975
640 5MH 0.8975
641 51R 0.8974
642 ADE 0.8974
643 MEW 0.8971
644 WOT 0.8970
645 GVG 0.8969
646 URF 0.8968
647 FBW 0.8966
648 XCZ 0.8965
649 JZ2 0.8964
650 TYE 0.8964
651 5XB 0.8963
652 UNJ 0.8962
653 XYD 0.8961
654 152 0.8960
655 5B1 0.8959
656 3SL 0.8959
657 RUY 0.8959
658 5RG 0.8958
659 5JC 0.8958
660 HY3 0.8958
661 9DG 0.8958
662 FUM 0.8956
663 XAZ 0.8954
664 4CL 0.8951
665 BNL 0.8951
666 3HG 0.8951
667 TEO 0.8951
668 AQO 0.8950
669 R8A 0.8950
670 GZ3 0.8950
671 KJH 0.8949
672 J1Z 0.8949
673 MZW 0.8948
674 TDR 0.8948
675 4HO 0.8947
676 L5V 0.8946
677 OW4 0.8946
678 4JJ 0.8946
679 GTQ 0.8945
680 AJ2 0.8945
681 WBU 0.8944
682 43M 0.8944
683 APY 0.8942
684 3PG 0.8942
685 HG3 0.8942
686 A2F 0.8942
687 4XH 0.8941
688 HQD 0.8941
689 AZ8 0.8940
690 XBZ 0.8940
691 2AC 0.8940
692 QIC 0.8939
693 TAG 0.8939
694 BR9 0.8938
695 B24 0.8938
696 BTY 0.8937
697 1Z6 0.8937
698 6KT 0.8937
699 URC 0.8937
700 0CU 0.8937
701 DAS 0.8936
702 K5W 0.8935
703 G3F 0.8932
704 AZA 0.8932
705 10L 0.8931
706 286 0.8931
707 RSF 0.8931
708 34A 0.8929
709 0VT 0.8929
710 TZE 0.8929
711 7B4 0.8928
712 3FH 0.8927
713 ICP 0.8926
714 SLS 0.8926
715 K97 0.8926
716 2MP 0.8925
717 13P 0.8925
718 2BX 0.8925
719 MWJ 0.8923
720 2ZV 0.8921
721 5UC 0.8919
722 HH8 0.8918
723 XXG 0.8918
724 5JQ 0.8917
725 R9S 0.8917
726 NF3 0.8916
727 PE0 0.8916
728 5MK 0.8915
729 39O 0.8914
730 F1A 0.8913
731 DX4 0.8913
732 X6X 0.8912
733 5M0 0.8911
734 4ZE 0.8911
735 5RO 0.8911
736 GXY 0.8909
737 4BY 0.8908
738 54G 0.8907
739 MWM 0.8906
740 Z13 0.8906
741 GUN 0.8906
742 SOE 0.8905
743 PG3 0.8905
744 SX1 0.8904
745 6TZ 0.8904
746 AES 0.8904
747 9YL 0.8904
748 CH9 0.8904
749 2QC 0.8902
750 HPA 0.8902
751 YH7 0.8902
752 GCS 0.8901
753 6CS 0.8901
754 8WT 0.8900
755 A1U 0.8900
756 4SD 0.8900
757 KMH 0.8900
758 27Y 0.8899
759 XAN 0.8899
760 ORO 0.8898
761 TWO 0.8897
762 3XX 0.8897
763 75K 0.8896
764 GLY GLY 0.8896
765 6MP 0.8896
766 141 0.8896
767 B55 0.8895
768 MAJ 0.8895
769 GXL 0.8895
770 MZG 0.8895
771 1XM 0.8894
772 OXC 0.8893
773 2AL 0.8893
774 F4K 0.8892
775 DHI 0.8892
776 BP1 0.8889
777 N8Y 0.8887
778 TCA 0.8887
779 ADZ 0.8885
780 F81 0.8885
781 3IT 0.8885
782 TLD 0.8884
783 2PG 0.8884
784 4HC 0.8884
785 AGK 0.8881
786 IUR 0.8880
787 44W 0.8880
788 RBJ 0.8880
789 MPV 0.8880
790 R20 0.8880
791 92P 0.8879
792 GIF 0.8879
793 ESI 0.8878
794 42A 0.8876
795 7VP 0.8876
796 Z5P 0.8876
797 2YU 0.8876
798 1LM 0.8875
799 HT4 0.8875
800 CFP 0.8874
801 AN3 0.8874
802 4BL 0.8874
803 TM7 0.8874
804 HX4 0.8873
805 OHP 0.8873
806 8S0 0.8873
807 6AP 0.8872
808 IGA 0.8872
809 JBH 0.8871
810 4JO 0.8871
811 1A7 0.8871
812 PH3 0.8871
813 F0J 0.8870
814 2EC 0.8869
815 0TR 0.8869
816 BNF 0.8867
817 IDH 0.8866
818 2F6 0.8865
819 SPV 0.8864
820 1CO 0.8863
821 GLA 0.8862
822 TFB 0.8862
823 O72 0.8861
824 GAF 0.8861
825 4TU 0.8860
826 149 0.8860
827 ALL 0.8859
828 D1X 0.8859
829 3ZB 0.8858
830 9DA 0.8857
831 S7J 0.8856
832 GIV 0.8856
833 PHE 0.8856
834 BCP 0.8854
835 4P0 0.8854
836 QBK 0.8854
837 1KP 0.8852
838 KT7 0.8852
839 DVQ 0.8851
840 PRA 0.8849
841 7WA 0.8847
842 QWW 0.8846
843 1HN 0.8844
844 4RU 0.8844
845 GJP 0.8843
846 428 0.8842
847 EN1 0.8842
848 V55 0.8841
849 LGC 0.8841
850 EQT 0.8841
851 LZM 0.8840
852 AJV 0.8840
853 9FE 0.8840
854 GP9 0.8840
855 H62 0.8840
856 9ZE 0.8839
857 GCB 0.8839
858 FDR 0.8838
859 271 0.8838
860 2CQ 0.8838
861 KJY 0.8837
862 MAH 0.8836
863 2FG 0.8835
864 INE 0.8834
865 QX2 0.8834
866 FUL 0.8834
867 OTW 0.8832
868 290 0.8830
869 CRN 0.8830
870 1LN 0.8829
871 8TX 0.8828
872 AZG 0.8828
873 OVP 0.8827
874 Q02 0.8827
875 6GU 0.8826
876 7HP 0.8825
877 6ME 0.8825
878 2LY 0.8824
879 C2Y 0.8824
880 SOR 0.8824
881 MNM 0.8824
882 0N7 0.8824
883 DTU 0.8823
884 23J 0.8822
885 B62 0.8822
886 8XL 0.8821
887 PA1 0.8821
888 DHY 0.8821
889 4NZ 0.8820
890 NID 0.8819
891 WOO 0.8819
892 150 0.8819
893 XYS 0.8819
894 SWA 0.8816
895 LR5 0.8816
896 FK8 0.8815
897 EVA 0.8813
898 2H5 0.8812
899 FDK 0.8812
900 XHP 0.8811
901 PGH 0.8811
902 EUG 0.8810
903 M1Q 0.8810
904 DQU 0.8809
905 JFJ 0.8809
906 NQ 0.8808
907 DHQ 0.8807
908 PJW 0.8806
909 PM6 0.8804
910 2AK 0.8803
911 GLL 0.8803
912 Q07 0.8801
913 5JL 0.8801
914 1DQ 0.8800
915 HA5 0.8800
916 AM4 0.8799
917 VK3 0.8798
918 CXP 0.8798
919 FCA 0.8797
920 0W8 0.8796
921 BOA 0.8795
922 J9W 0.8795
923 PRY 0.8794
924 9HX 0.8793
925 3V4 0.8793
926 KYD 0.8793
927 3Z8 0.8792
928 PQK 0.8792
929 CSS 0.8792
930 P3K 0.8789
931 FBT 0.8789
932 86L 0.8789
933 1WG 0.8788
934 PQ0 0.8788
935 H4E 0.8787
936 MAK 0.8786
937 FH2 0.8785
938 0F9 0.8785
939 23W 0.8784
940 G6D 0.8783
941 1GN 0.8782
942 KIV 0.8782
943 DOR 0.8781
944 ES4 0.8781
945 JND 0.8778
946 PMF 0.8777
947 PRF 0.8775
948 APG 0.8775
949 JG8 0.8775
950 DFB 0.8774
951 ONR 0.8774
952 G3H 0.8772
953 G3P 0.8772
954 RXA 0.8771
955 0FO 0.8771
956 I4B 0.8769
957 Y8I 0.8766
958 Q6T 0.8764
959 MAN 0.8764
960 JZ1 0.8762
961 YIO 0.8761
962 XIZ 0.8760
963 EVF 0.8759
964 A7H 0.8758
965 3W8 0.8758
966 FUC 0.8756
967 37T 0.8756
968 CTS 0.8753
969 PPY 0.8753
970 QX4 0.8753
971 45C 0.8753
972 CEE 0.8750
973 FHC 0.8750
974 2AS 0.8749
975 XDE 0.8749
976 HDA 0.8748
977 PD2 0.8746
978 HCI 0.8744
979 LEU 0.8742
980 51F 0.8741
981 4JE 0.8740
982 DFU 0.8740
983 N3W 0.8738
984 4CM 0.8737
985 TTY 0.8737
986 27B 0.8736
987 7CZ 0.8735
988 4M4 0.8734
989 KTW 0.8733
990 44V 0.8732
991 BTE 0.8731
992 X0U 0.8731
993 2FQ 0.8728
994 MVN 0.8728
995 F4Z 0.8728
996 RIP 0.8727
997 VXX 0.8726
998 FA3 0.8725
999 QOS 0.8720
1000 PC 0.8719
1001 0MK 0.8718
1002 PGA 0.8717
1003 IAC 0.8713
1004 JIF 0.8712
1005 ZYX 0.8712
1006 E4P 0.8711
1007 T2C 0.8709
1008 8IG 0.8707
1009 DRL 0.8707
1010 NAG 0.8707
1011 MUA 0.8705
1012 MT0 0.8704
1013 PDC 0.8704
1014 ABE 0.8704
1015 AKH 0.8703
1016 PYQ 0.8702
1017 HJP 0.8702
1018 TOF 0.8701
1019 42C 0.8700
1020 MBG 0.8700
1021 7WR 0.8698
1022 TC7 0.8698
1023 8NB 0.8697
1024 IZC 0.8696
1025 DTL 0.8694
1026 IP0 0.8693
1027 TT4 0.8693
1028 4MU 0.8691
1029 M4E 0.8691
1030 7NI 0.8690
1031 SHG 0.8689
1032 JFD 0.8688
1033 680 0.8687
1034 T6C 0.8686
1035 NVI 0.8685
1036 PRZ 0.8683
1037 4LW 0.8683
1038 32X 0.8682
1039 A13 0.8680
1040 DBX 0.8680
1041 EYK 0.8673
1042 JF6 0.8671
1043 MWP 0.8669
1044 PXM 0.8669
1045 FOT 0.8666
1046 UNC 0.8665
1047 SWD 0.8661
1048 CIT 0.8661
1049 SVD 0.8660
1050 HVQ 0.8659
1051 TSS 0.8657
1052 ZYR 0.8657
1053 GF4 0.8657
1054 495 0.8656
1055 PEY 0.8655
1056 25W 0.8654
1057 BVG 0.8651
1058 BVC 0.8649
1059 OQC 0.8648
1060 DIU 0.8647
1061 T9G 0.8646
1062 ARB 0.8646
1063 7MH 0.8645
1064 KBB 0.8644
1065 SR1 0.8644
1066 C2A 0.8643
1067 ECE 0.8643
1068 0W1 0.8641
1069 MZ0 0.8639
1070 1XN 0.8636
1071 P4B 0.8636
1072 PYG 0.8635
1073 CCU 0.8633
1074 GO2 0.8632
1075 7ME 0.8630
1076 SRO 0.8628
1077 3QV 0.8627
1078 SC2 0.8627
1079 RUU 0.8624
1080 AJY 0.8623
1081 HZQ 0.8621
1082 47J 0.8620
1083 JBQ 0.8619
1084 VAL 0.8618
1085 BZJ 0.8616
1086 535 0.8616
1087 36M 0.8614
1088 MZB 0.8609
1089 4XX 0.8609
1090 PPT 0.8608
1091 ACA 0.8607
1092 IJZ 0.8606
1093 C2U 0.8605
1094 S76 0.8603
1095 3HP 0.8599
1096 8W9 0.8598
1097 R67 0.8597
1098 F12 0.8596
1099 3WA 0.8595
1100 A65 0.8589
1101 FBU 0.8588
1102 TEP 0.8587
1103 25T 0.8586
1104 6VD 0.8585
1105 4I8 0.8584
1106 2DR 0.8583
1107 YZM 0.8583
1108 OMD 0.8582
1109 GNM 0.8580
1110 S0E 0.8580
1111 GIO 0.8578
1112 GXE 0.8578
1113 0OC 0.8577
1114 DEE 0.8576
1115 M0W 0.8576
1116 7VS 0.8576
1117 EXD 0.8575
1118 DNF 0.8575
1119 1L5 0.8574
1120 FLA 0.8574
1121 1DH 0.8572
1122 4ZC 0.8570
1123 CYH 0.8568
1124 1WC 0.8567
1125 HAI 0.8565
1126 DQY 0.8564
1127 M1E 0.8559
1128 PH2 0.8553
1129 3RK 0.8553
1130 MZT 0.8550
1131 MLI 0.8550
1132 CXL 0.8544
1133 4ME 0.8541
1134 9TY 0.8538
1135 N4E 0.8537
1136 JU2 0.8534
1137 F5B 0.8533
1138 HHR 0.8513
1139 7MX 0.8504
Ligand no: 2; Ligand: 3SK; Similar ligands found: 1216
No: Ligand Similarity coefficient
1 SAL 1.0000
2 BE2 1.0000
3 VNJ 0.9995
4 IP0 0.9865
5 4SV 0.9799
6 FP1 0.9782
7 1WD 0.9773
8 JZ3 0.9760
9 ES6 0.9743
10 5AC 0.9740
11 NCA 0.9722
12 3HA 0.9708
13 R8A 0.9694
14 NIO 0.9693
15 BEN 0.9693
16 SHA 0.9665
17 6PC 0.9655
18 BAM 0.9652
19 NK 0.9651
20 SS2 0.9646
21 286 0.9642
22 AC0 0.9628
23 QSC 0.9623
24 BEZ 0.9619
25 JBE 0.9617
26 3F0 0.9603
27 JZ1 0.9599
28 FPK 0.9590
29 VGL 0.9586
30 M58 0.9585
31 FBV 0.9585
32 NTN 0.9584
33 6M4 0.9582
34 FB1 0.9576
35 2LP 0.9572
36 60P 0.9568
37 3M0 0.9566
38 2ZV 0.9560
39 DBH 0.9551
40 AHR 0.9548
41 6F0 0.9547
42 DFB 0.9546
43 1LN 0.9542
44 BNS 0.9538
45 SYG 0.9534
46 24B 0.9531
47 GTQ 0.9530
48 5CU 0.9530
49 5RG 0.9525
50 RSO 0.9525
51 IPZ 0.9522
52 FA0 0.9522
53 0R0 0.9518
54 261 0.9515
55 7N0 0.9515
56 5M0 0.9514
57 53C 0.9513
58 98J 0.9500
59 AZF 0.9498
60 GRE 0.9492
61 G5V 0.9491
62 GBD 0.9488
63 T9G 0.9487
64 4M0 0.9487
65 6M1 0.9486
66 FYU 0.9485
67 IFM 0.9477
68 54G 0.9461
69 3DO 0.9461
70 DOB 0.9461
71 FE DB1 0.9453
72 GAG 0.9451
73 BHA 0.9451
74 IPB 0.9448
75 HIO 0.9447
76 HHA 0.9443
77 PBC 0.9438
78 TH7 0.9434
79 SVN 0.9433
80 SX1 0.9432
81 ISZ 0.9432
82 ADE 0.9430
83 BSX 0.9428
84 F05 0.9427
85 PRY 0.9424
86 12M 0.9419
87 CFI 0.9417
88 PZA 0.9416
89 HMH 0.9416
90 JZ4 0.9416
91 2CK 0.9416
92 5MK 0.9415
93 KYD 0.9411
94 1PT 0.9408
95 RIB 0.9402
96 OXZ 0.9399
97 NMJ 0.9395
98 282 0.9388
99 G2F 0.9388
100 HXX 0.9387
101 IDM 0.9383
102 GLC 0.9383
103 XYP 0.9382
104 4NC 0.9381
105 ZZT 0.9381
106 3FH 0.9379
107 XAN 0.9379
108 TLA 0.9379
109 OXQ 0.9378
110 MRZ 0.9378
111 1P3 0.9376
112 YCP 0.9375
113 NPO 0.9375
114 PHB 0.9374
115 NBZ 0.9373
116 3HB 0.9372
117 3AB 0.9370
118 LCN 0.9369
119 DHB 0.9368
120 BZX 0.9367
121 DYA 0.9367
122 GUN 0.9367
123 8EZ 0.9363
124 R9S 0.9361
125 9EW 0.9360
126 GAB 0.9360
127 6AI 0.9358
128 JZ7 0.9358
129 9DG 0.9356
130 UNU 0.9355
131 I1E 0.9352
132 7HQ 0.9352
133 HMU 0.9348
134 RSF 0.9347
135 1Y6 0.9347
136 290 0.9341
137 I3A 0.9341
138 HLR 0.9340
139 6CS 0.9340
140 NXA 0.9339
141 TP5 0.9339
142 NSP 0.9338
143 FBT 0.9337
144 GYE 0.9335
145 SJ5 0.9333
146 TEO 0.9331
147 L3Q 0.9330
148 NOJ 0.9330
149 2FY 0.9327
150 92K 0.9324
151 3OC 0.9324
152 BHO 0.9323
153 HBD 0.9320
154 IGA 0.9320
155 HBX 0.9319
156 G3F 0.9318
157 SRT 0.9318
158 7HP 0.9317
159 51F 0.9317
160 LXC 0.9316
161 FEH 0.9315
162 Z6J 0.9313
163 JBK 0.9313
164 6AP 0.9313
165 HPA 0.9313
166 XM0 0.9311
167 A2F 0.9310
168 CFP 0.9310
169 NDH 0.9310
170 23J 0.9309
171 14O 0.9308
172 DX4 0.9308
173 RHU 0.9307
174 4JT 0.9307
175 ABN 0.9307
176 280 0.9306
177 5H1 0.9305
178 0R1 0.9305
179 141 0.9305
180 O7U 0.9305
181 NEQ 0.9303
182 4RW 0.9303
183 EYK 0.9303
184 HBA 0.9302
185 SMV 0.9301
186 LZ1 0.9301
187 QUZ 0.9300
188 5NU 0.9298
189 ASO 0.9298
190 DBX 0.9297
191 SS1 0.9297
192 SYN 0.9295
193 MNN 0.9295
194 PRO 0.9292
195 2K4 0.9291
196 AMC 0.9291
197 ROR 0.9291
198 FOA 0.9291
199 6GU 0.9290
200 OAA 0.9290
201 AZA 0.9289
202 F60 0.9289
203 LSA 0.9285
204 6M9 0.9284
205 82I 0.9284
206 BTE 0.9283
207 IND 0.9282
208 PMB 0.9282
209 GVH 0.9280
210 BE7 0.9280
211 8GC 0.9280
212 23A 0.9279
213 10L 0.9278
214 278 0.9277
215 URF 0.9276
216 APY 0.9276
217 1LQ 0.9276
218 FPI 0.9273
219 DEN 0.9272
220 40E 0.9272
221 47J 0.9271
222 1MR 0.9271
223 5MB 0.9270
224 MS9 0.9270
225 1DJ 0.9270
226 BZI 0.9268
227 AZG 0.9266
228 M1A 0.9266
229 BZF 0.9266
230 TZE 0.9266
231 FBM 0.9265
232 ODO 0.9265
233 LMR 0.9265
234 2DR 0.9264
235 NIZ 0.9263
236 PY7 0.9259
237 IT2 0.9259
238 MPI 0.9258
239 3Z7 0.9257
240 0RW 0.9254
241 KBB 0.9254
242 P72 0.9254
243 PAB 0.9254
244 51R 0.9251
245 MXN 0.9251
246 JZ9 0.9251
247 PBE 0.9251
248 FB2 0.9249
249 MLT 0.9248
250 NOY 0.9248
251 CTL 0.9245
252 NTM 0.9245
253 BGC 0.9245
254 5MI 0.9244
255 IFL 0.9242
256 NPY 0.9241
257 BP1 0.9239
258 8H8 0.9239
259 HH5 0.9238
260 LYL 0.9238
261 3XX 0.9236
262 6MP 0.9234
263 JAE 0.9234
264 7WA 0.9234
265 PYJ 0.9233
266 ABV 0.9231
267 J9T 0.9231
268 4VP 0.9230
269 0CT 0.9229
270 AGK 0.9229
271 F81 0.9228
272 2PC 0.9228
273 1DW 0.9226
274 YH7 0.9225
275 Z82 0.9225
276 K5W 0.9223
277 4AA 0.9221
278 1AB 0.9220
279 260 0.9219
280 Q6T 0.9218
281 EDG 0.9217
282 SVD 0.9215
283 4MA 0.9215
284 B24 0.9214
285 PRZ 0.9213
286 2AL 0.9213
287 M2H 0.9211
288 P3K 0.9211
289 5QY 0.9211
290 AX7 0.9210
291 270 0.9210
292 PZI 0.9210
293 ASP 0.9210
294 NBE 0.9207
295 PYF 0.9206
296 GIF 0.9204
297 9HX 0.9203
298 9DA 0.9203
299 3ZQ 0.9203
300 HY3 0.9201
301 C21 0.9201
302 273 0.9201
303 HQY 0.9196
304 DS0 0.9194
305 3NT 0.9191
306 5HN 0.9190
307 4CS 0.9189
308 ASC 0.9189
309 WBU 0.9188
310 0CU 0.9185
311 RMN 0.9185
312 ES9 0.9183
313 R2B 0.9183
314 R1X 0.9183
315 AC6 0.9181
316 KP6 0.9181
317 DBJ 0.9181
318 XYS 0.9181
319 4XR 0.9181
320 SWD 0.9179
321 5RN 0.9177
322 TAR 0.9177
323 9CL 0.9176
324 C2A 0.9175
325 1XM 0.9174
326 DHQ 0.9174
327 MWP 0.9173
328 40O 0.9173
329 42C 0.9172
330 URQ 0.9172
331 SW7 0.9172
332 COU 0.9171
333 N5J 0.9171
334 ES4 0.9170
335 ICP 0.9170
336 TDR 0.9170
337 0TR 0.9170
338 PA1 0.9169
339 03V 0.9168
340 8OZ 0.9168
341 CRN 0.9168
342 1MC 0.9166
343 271 0.9166
344 4HC 0.9166
345 5IQ 0.9165
346 9MG 0.9165
347 4Z4 0.9164
348 4ZC 0.9163
349 MRY 0.9163
350 E7Z 0.9163
351 XCZ 0.9162
352 LRH 0.9162
353 JBN 0.9162
354 5OB 0.9161
355 EKZ 0.9161
356 2MI 0.9160
357 BDP 0.9159
358 5SG 0.9159
359 67N 0.9157
360 Z5P 0.9156
361 PEA 0.9154
362 JIF 0.9153
363 KIV 0.9153
364 25W 0.9153
365 11S 0.9151
366 2RH 0.9151
367 HY1 0.9151
368 CAQ 0.9151
369 P9P 0.9151
370 5Q0 0.9150
371 2XX 0.9150
372 1SQ 0.9150
373 GCS 0.9150
374 AKH 0.9148
375 IF7 0.9148
376 FAN 0.9148
377 RM1 0.9148
378 KLW 0.9146
379 1NP 0.9146
380 1XN 0.9145
381 QDK 0.9145
382 7NI 0.9144
383 4JM 0.9144
384 MNM 0.9144
385 OVV 0.9143
386 275 0.9143
387 PEL 0.9142
388 CTS 0.9142
389 OHP 0.9142
390 ZXD 0.9141
391 MR1 0.9140
392 24W 0.9140
393 MYJ 0.9140
394 4JP 0.9140
395 KOJ 0.9138
396 O72 0.9137
397 JB5 0.9134
398 P92 0.9134
399 B53 0.9134
400 BEW 0.9133
401 4XH 0.9133
402 D1X 0.9133
403 RM4 0.9133
404 G6D 0.9133
405 DGJ 0.9132
406 JYD 0.9131
407 CXF 0.9131
408 FCR 0.9130
409 PM6 0.9130
410 URA 0.9130
411 GIO 0.9130
412 HDH 0.9130
413 7CZ 0.9130
414 069 0.9129
415 3BZ 0.9128
416 BOA 0.9127
417 MCT 0.9126
418 9X7 0.9125
419 4ZE 0.9125
420 4HO 0.9124
421 PE0 0.9123
422 PBZ 0.9123
423 PYD 0.9122
424 ASN 0.9122
425 HYP 0.9121
426 IHG 0.9121
427 5UC 0.9120
428 MAN 0.9120
429 XQG 0.9120
430 KKN 0.9120
431 PXL 0.9120
432 4YS 0.9119
433 PXM 0.9118
434 RNS 0.9118
435 DAS 0.9116
436 MWM 0.9116
437 BCP 0.9116
438 2AQ 0.9115
439 FPY 0.9115
440 HH8 0.9113
441 2AC 0.9113
442 CN0 0.9112
443 GOO 0.9112
444 5DI 0.9112
445 IJZ 0.9112
446 3IT 0.9111
447 FOT 0.9111
448 ES1 0.9110
449 JPZ 0.9110
450 FBW 0.9110
451 329 0.9109
452 FK1 0.9107
453 EA1 0.9106
454 QY9 0.9106
455 PEZ 0.9106
456 XUL 0.9105
457 4JL 0.9105
458 SHG 0.9105
459 JBH 0.9104
460 N2Z 0.9103
461 SOE 0.9103
462 ES5 0.9102
463 INO 0.9102
464 A1U 0.9101
465 AFR 0.9101
466 HTS 0.9101
467 MSN 0.9101
468 8S0 0.9101
469 64K 0.9100
470 QOS 0.9099
471 HJP 0.9099
472 Q88 0.9099
473 H4N 0.9097
474 AKB 0.9096
475 DIU 0.9096
476 ALL 0.9094
477 XBZ 0.9093
478 RCO 0.9093
479 ADK 0.9093
480 LGC 0.9093
481 1LM 0.9092
482 UY7 0.9092
483 THR 0.9091
484 AZ8 0.9090
485 T2C 0.9090
486 LZM 0.9089
487 7VS 0.9089
488 J9Q 0.9089
489 WCE 0.9088
490 2AF 0.9086
491 J9W 0.9086
492 XYL 0.9085
493 RB5 0.9085
494 EQT 0.9084
495 2MP 0.9084
496 1DU 0.9084
497 FBA 0.9083
498 ES7 0.9082
499 RAM 0.9082
500 IFP 0.9081
501 4FS 0.9080
502 AHB 0.9080
503 WOT 0.9080
504 M1E 0.9080
505 PRS 0.9079
506 BRT 0.9079
507 OCH 0.9078
508 938 0.9077
509 7W4 0.9077
510 FP2 0.9077
511 0MK 0.9077
512 EVA 0.9077
513 XYD 0.9076
514 UEG 0.9075
515 UYA 0.9073
516 SC2 0.9073
517 ISN 0.9073
518 MZB 0.9073
519 M0W 0.9073
520 3WA 0.9073
521 FDB 0.9072
522 34A 0.9072
523 284 0.9072
524 2D0 0.9071
525 H76 0.9071
526 7WG 0.9070
527 C2U 0.9069
528 TH0 0.9068
529 2CH 0.9068
530 7MH 0.9066
531 1AN 0.9065
532 CEE 0.9065
533 G4D 0.9065
534 ARB 0.9065
535 1DQ 0.9064
536 174 0.9063
537 H42 0.9063
538 3MC 0.9062
539 FUB 0.9062
540 FCB 0.9061
541 GLF 0.9061
542 1WG 0.9060
543 EXO 0.9060
544 42A 0.9058
545 LG3 0.9058
546 DMJ 0.9058
547 CIZ 0.9058
548 CRS 0.9057
549 8LG 0.9057
550 OXE 0.9057
551 92Z 0.9057
552 LG5 0.9056
553 52C 0.9056
554 LEU 0.9055
555 ITN 0.9054
556 ES0 0.9053
557 JLZ 0.9053
558 COI 0.9051
559 TSU 0.9051
560 2HO 0.9051
561 3DM 0.9051
562 BDF 0.9051
563 BP9 0.9051
564 OEM 0.9050
565 ICO 0.9050
566 3CH 0.9048
567 7B4 0.9048
568 RNT 0.9047
569 2CL 0.9047
570 ADZ 0.9046
571 3MH 0.9046
572 J1Z 0.9046
573 XBT 0.9046
574 CYT 0.9044
575 VAL 0.9043
576 L89 0.9043
577 X05 0.9042
578 76X 0.9040
579 LDP 0.9040
580 26D 0.9039
581 HLZ 0.9038
582 M2K 0.9038
583 LDU 0.9038
584 RIP 0.9037
585 PYG 0.9037
586 Q24 0.9036
587 JZ0 0.9035
588 XQ0 0.9034
589 9RW 0.9034
590 AAS 0.9034
591 FRU 0.9034
592 QSB 0.9034
593 B57 0.9033
594 IDH 0.9032
595 ARA 0.9032
596 GOG 0.9032
597 TZL 0.9031
598 ZBT 0.9031
599 SWA 0.9031
600 93Q 0.9030
601 4CL 0.9029
602 TM7 0.9029
603 826 0.9028
604 9TY 0.9028
605 CWM 0.9028
606 KBG 0.9028
607 54D 0.9027
608 8GF 0.9026
609 FUC 0.9026
610 3RK 0.9026
611 M5K 0.9025
612 SAN 0.9024
613 YRL 0.9024
614 4NG 0.9023
615 ICF 0.9023
616 THE 0.9023
617 150 0.9023
618 6JN 0.9022
619 PAC 0.9022
620 43M 0.9021
621 AQO 0.9021
622 RBL 0.9021
623 4FA 0.9021
624 JFJ 0.9021
625 M1Q 0.9021
626 4JO 0.9020
627 2YU 0.9020
628 JZ2 0.9019
629 2TQ 0.9019
630 6X8 0.9019
631 5WV 0.9018
632 HT4 0.9018
633 WOO 0.9018
634 BMA 0.9018
635 97T 0.9016
636 R8V 0.9016
637 93K 0.9016
638 5WX 0.9014
639 PCA 0.9014
640 NNO 0.9013
641 2MH 0.9013
642 URC 0.9012
643 MBD 0.9011
644 TSS 0.9011
645 2C9 0.9010
646 2EC 0.9009
647 1DV 0.9009
648 0P6 0.9009
649 UGC 0.9008
650 EHM 0.9008
651 FQI 0.9008
652 TAG 0.9008
653 2CQ 0.9006
654 TIU 0.9005
655 JFD 0.9005
656 HQE 0.9005
657 OXC 0.9005
658 JZ5 0.9004
659 SPA 0.9004
660 HZP 0.9003
661 OK7 0.9003
662 0LH 0.9002
663 HPY 0.9002
664 173 0.9002
665 DA1 0.9001
666 AEF 0.9000
667 8NY 0.8999
668 B55 0.8999
669 MEW 0.8999
670 PEP 0.8998
671 ORO 0.8998
672 FFP 0.8997
673 4JJ 0.8997
674 IOM 0.8997
675 M1H 0.8996
676 YAN 0.8996
677 AJ2 0.8995
678 6LW 0.8995
679 GCU 0.8994
680 AC5 0.8994
681 BVF 0.8993
682 4HM 0.8993
683 SMN 0.8993
684 6MH 0.8992
685 1P7 0.8992
686 5MH 0.8991
687 ECE 0.8991
688 HSE 0.8990
689 BZ3 0.8989
690 2A7 0.8989
691 IPM 0.8989
692 B0D 0.8989
693 2MY 0.8988
694 2FG 0.8988
695 3FA 0.8987
696 XX2 0.8987
697 3ID 0.8987
698 GZL 0.8986
699 5XC 0.8986
700 C2B 0.8985
701 265 0.8984
702 FLM 0.8984
703 4P5 0.8984
704 4JU 0.8983
705 3SL 0.8982
706 MAE 0.8982
707 AUD 0.8982
708 FHB 0.8981
709 PLQ 0.8981
710 S76 0.8980
711 3MA 0.8980
712 H62 0.8979
713 948 0.8974
714 FUL 0.8973
715 ILE 0.8973
716 ICC 0.8972
717 PYC 0.8972
718 NYL 0.8972
719 GRO 0.8971
720 D3M 0.8970
721 SRO 0.8970
722 3HM 0.8969
723 XLS 0.8969
724 URP 0.8969
725 34D 0.8969
726 1XX 0.8967
727 LNR 0.8967
728 GMN 0.8965
729 25R 0.8965
730 293 0.8963
731 PHU 0.8963
732 39A 0.8962
733 RBJ 0.8962
734 GJZ 0.8962
735 DFU 0.8961
736 XXR 0.8961
737 4ME 0.8960
738 JBQ 0.8960
739 GAL 0.8960
740 23W 0.8959
741 A09 0.8957
742 TFB 0.8955
743 MZG 0.8954
744 263 0.8954
745 FA1 0.8954
746 X09 0.8953
747 TLD 0.8950
748 HA7 0.8950
749 2H5 0.8949
750 ZZ3 0.8949
751 INS 0.8949
752 GCB 0.8949
753 45C 0.8948
754 KJY 0.8947
755 X0V 0.8946
756 BTY 0.8945
757 URS 0.8945
758 OMD 0.8944
759 DUC 0.8944
760 CHB 0.8943
761 32X 0.8943
762 F5B 0.8942
763 UNC 0.8942
764 0W8 0.8942
765 DMD 0.8940
766 2ZQ 0.8940
767 SR1 0.8940
768 CXL 0.8940
769 6KX 0.8938
770 4XX 0.8938
771 FPN 0.8937
772 PAF 0.8936
773 5WY 0.8936
774 4A3 0.8935
775 3CE 0.8935
776 F9P 0.8933
777 PCR 0.8933
778 32O 0.8933
779 5JC 0.8932
780 2PG 0.8929
781 HX3 0.8928
782 TTL 0.8928
783 13X 0.8927
784 MAK 0.8927
785 27Y 0.8927
786 FCA 0.8927
787 DHK 0.8927
788 8EW 0.8926
789 YTB 0.8926
790 KJU 0.8925
791 BR9 0.8924
792 KJH 0.8924
793 SXS 0.8924
794 ABE 0.8924
795 3AL 0.8924
796 3R6 0.8922
797 TZC 0.8922
798 FBS 0.8921
799 5B1 0.8921
800 FLA 0.8921
801 2CM 0.8919
802 ALO 0.8919
803 IUR 0.8918
804 CDV 0.8917
805 149 0.8917
806 ARW 0.8917
807 TM4 0.8915
808 HGQ 0.8915
809 GLA 0.8914
810 DIE 0.8914
811 8TX 0.8914
812 HAI 0.8914
813 GDE 0.8913
814 VNL 0.8912
815 6HQ 0.8912
816 TC7 0.8911
817 MWJ 0.8911
818 GZQ 0.8911
819 HSM 0.8910
820 DOR 0.8909
821 EDR 0.8908
822 A13 0.8907
823 45L 0.8907
824 7W1 0.8905
825 YHO 0.8905
826 LG4 0.8903
827 HEW 0.8902
828 4FH 0.8901
829 TMZ 0.8901
830 OTR 0.8899
831 F1A 0.8899
832 9YL 0.8899
833 DUB 0.8898
834 CYH 0.8897
835 FUF 0.8896
836 QIC 0.8896
837 EV0 0.8894
838 717 0.8894
839 2MN 0.8893
840 GAF 0.8892
841 N8P 0.8892
842 GJS 0.8890
843 TMT 0.8890
844 RUU 0.8890
845 R8S 0.8890
846 94B 0.8890
847 F4Z 0.8890
848 FDK 0.8888
849 SNE 0.8888
850 4J8 0.8888
851 PXY 0.8887
852 69O 0.8887
853 OHG 0.8887
854 M6W 0.8886
855 CIG 0.8883
856 12Q 0.8883
857 XSP 0.8883
858 6UA 0.8883
859 5GU 0.8882
860 GXL 0.8881
861 SIN 0.8881
862 8IG 0.8879
863 SKM 0.8879
864 ADA 0.8878
865 42J 0.8878
866 JAB 0.8877
867 5QX 0.8877
868 1P8 0.8876
869 5JQ 0.8874
870 MO8 0.8873
871 TPA 0.8872
872 DTL 0.8871
873 HCS 0.8871
874 75K 0.8870
875 PPR 0.8870
876 GM7 0.8869
877 ET2 0.8869
878 CWS 0.8867
879 2A9 0.8867
880 264 0.8867
881 XAZ 0.8866
882 V55 0.8865
883 5NI 0.8865
884 FH2 0.8864
885 ISE 0.8864
886 QAT 0.8862
887 BR8 0.8860
888 4CH 0.8860
889 9PY 0.8860
890 H8N 0.8859
891 YQA 0.8859
892 285 0.8857
893 G2H 0.8856
894 AX2 0.8855
895 HVQ 0.8854
896 X6X 0.8853
897 680 0.8851
898 CP 0.8851
899 AMS 0.8850
900 4M4 0.8850
901 1GN 0.8850
902 3V4 0.8850
903 T6C 0.8848
904 3AY 0.8848
905 EUG 0.8848
906 KT7 0.8846
907 44V 0.8845
908 8CM 0.8844
909 F31 0.8843
910 WDL 0.8842
911 SPV 0.8841
912 0V5 0.8841
913 PEQ 0.8841
914 ENL 0.8840
915 3NY 0.8840
916 4SX 0.8839
917 4H2 0.8838
918 GIV 0.8838
919 Y8I 0.8837
920 4P0 0.8837
921 PSV 0.8835
922 AS3 0.8834
923 SEJ 0.8834
924 HC4 0.8833
925 YIO 0.8832
926 5AN 0.8832
927 HQT 0.8832
928 N4B 0.8832
929 4PW 0.8832
930 QWN 0.8830
931 NVI 0.8830
932 NCD 0.8828
933 GZ3 0.8825
934 SFU 0.8823
935 9TW 0.8822
936 YSO 0.8822
937 QPR 0.8821
938 SF9 0.8821
939 TGX 0.8821
940 36R 0.8820
941 192 0.8820
942 HZQ 0.8818
943 8WO 0.8816
944 2LY 0.8815
945 4NM 0.8814
946 MT0 0.8812
947 B3R 0.8812
948 INE 0.8812
949 0HN 0.8812
950 14J 0.8811
951 5JL 0.8811
952 F9Y 0.8811
953 FUM 0.8810
954 IHB 0.8809
955 TTY 0.8809
956 LFR 0.8808
957 DHS 0.8807
958 XIY 0.8807
959 KUF 0.8806
960 JA8 0.8805
961 0HO 0.8804
962 23B 0.8804
963 VK3 0.8804
964 HIS 0.8804
965 QBK 0.8803
966 DRL 0.8802
967 7VJ 0.8802
968 MFB 0.8801
969 F12 0.8800
970 495 0.8800
971 K2T 0.8799
972 M6N 0.8799
973 CLW 0.8799
974 OW4 0.8798
975 TEP 0.8797
976 5ZE 0.8796
977 9X6 0.8795
978 4JN 0.8795
979 1SA 0.8795
980 MZ0 0.8795
981 M3T 0.8794
982 Q02 0.8794
983 H3M 0.8793
984 UAN 0.8793
985 4XV 0.8792
986 FBB 0.8791
987 A7W 0.8791
988 GT0 0.8790
989 HIU 0.8789
990 2AS 0.8788
991 APG 0.8788
992 V1L 0.8788
993 F0J 0.8787
994 AKG 0.8787
995 6NT 0.8787
996 GLU 0.8786
997 2ZX 0.8786
998 AIN 0.8786
999 VGD 0.8785
1000 N3W 0.8785
1001 KG7 0.8785
1002 5VM 0.8784
1003 BCU 0.8784
1004 AW5 0.8783
1005 BVG 0.8783
1006 2BG 0.8781
1007 NDM 0.8781
1008 GTR 0.8780
1009 BML 0.8779
1010 7ZE 0.8779
1011 SKA 0.8778
1012 KPL 0.8778
1013 2IM 0.8777
1014 0F9 0.8776
1015 GUA 0.8775
1016 MZW 0.8775
1017 2F6 0.8774
1018 KTA 0.8773
1019 0JD 0.8773
1020 ES2 0.8770
1021 86J 0.8769
1022 CMS 0.8769
1023 IPH 0.8769
1024 2KT 0.8768
1025 4HS 0.8768
1026 B60 0.8766
1027 94N 0.8766
1028 3PY 0.8765
1029 GXY 0.8765
1030 SIF 0.8765
1031 ANN 0.8765
1032 MBN 0.8764
1033 449 0.8764
1034 SN4 0.8763
1035 OA3 0.8762
1036 FA3 0.8761
1037 NK2 0.8760
1038 HQ9 0.8758
1039 DTU 0.8758
1040 1M2 0.8755
1041 8K2 0.8752
1042 1F1 0.8752
1043 AZ9 0.8751
1044 QXW 0.8750
1045 A2Q 0.8750
1046 GXE 0.8749
1047 SD4 0.8748
1048 NVU 0.8748
1049 MFU 0.8747
1050 MRW 0.8746
1051 DIN 0.8744
1052 IV2 0.8743
1053 ZWZ 0.8742
1054 DSN 0.8742
1055 3MB 0.8741
1056 SYV 0.8740
1057 6NI 0.8739
1058 5RO 0.8739
1059 1WC 0.8739
1060 HQD 0.8739
1061 PYQ 0.8738
1062 TRA 0.8738
1063 AMH 0.8735
1064 HSO 0.8734
1065 QX2 0.8732
1066 DQA 0.8732
1067 D07 0.8732
1068 LT2 0.8731
1069 4TU 0.8729
1070 PFB 0.8728
1071 E60 0.8726
1072 NQ 0.8726
1073 3BU 0.8726
1074 CGB 0.8726
1075 ERH 0.8725
1076 N7P 0.8725
1077 BVC 0.8725
1078 NID 0.8723
1079 M4T 0.8723
1080 3PF 0.8721
1081 LT8 0.8720
1082 OVP 0.8720
1083 QMP 0.8719
1084 KFH 0.8719
1085 HHQ 0.8717
1086 LLQ 0.8717
1087 2FT 0.8716
1088 3Z8 0.8714
1089 RXA 0.8713
1090 2EZ 0.8713
1091 2HQ 0.8712
1092 DGY 0.8712
1093 LKA 0.8712
1094 8ZE 0.8709
1095 4XS 0.8708
1096 B62 0.8706
1097 VOH 0.8701
1098 G3E 0.8701
1099 BNF 0.8700
1100 F69 0.8699
1101 4AP 0.8698
1102 3AP 0.8698
1103 I4B 0.8698
1104 IOL 0.8697
1105 8CL 0.8697
1106 CEJ 0.8695
1107 HRZ 0.8695
1108 H6B 0.8694
1109 2ZM 0.8693
1110 091 0.8692
1111 12B 0.8691
1112 KSW 0.8691
1113 24T 0.8690
1114 RPQ 0.8690
1115 MUA 0.8688
1116 FBU 0.8688
1117 4JQ 0.8685
1118 37T 0.8683
1119 93B 0.8682
1120 2AP 0.8680
1121 HDA 0.8679
1122 MBG 0.8678
1123 C2Y 0.8677
1124 3MG 0.8676
1125 34V 0.8675
1126 MAQ 0.8673
1127 SER 0.8673
1128 2HU 0.8672
1129 TBP 0.8671
1130 7D2 0.8671
1131 FX1 0.8671
1132 I1N 0.8671
1133 SOR 0.8670
1134 6VD 0.8670
1135 MLI 0.8669
1136 PIM 0.8668
1137 AH8 0.8667
1138 SE2 0.8666
1139 MB3 0.8666
1140 13P 0.8666
1141 MLA 0.8666
1142 MUC 0.8665
1143 PAE 0.8664
1144 GV9 0.8660
1145 95Z 0.8658
1146 269 0.8657
1147 UFV 0.8657
1148 HVK 0.8656
1149 J5I 0.8654
1150 HHT 0.8654
1151 CIT 0.8651
1152 D48 0.8650
1153 G1O 0.8650
1154 BEA 0.8650
1155 K34 0.8648
1156 4YO 0.8648
1157 TYL 0.8647
1158 GCV 0.8646
1159 LGA 0.8646
1160 L99 0.8643
1161 CYS 0.8643
1162 4ZA 0.8641
1163 TTO 0.8640
1164 9PO 0.8639
1165 DXX 0.8639
1166 MQN 0.8637
1167 A65 0.8636
1168 BNT 0.8635
1169 HHH 0.8634
1170 QSH 0.8633
1171 DQN 0.8633
1172 QX4 0.8631
1173 AMG 0.8629
1174 MMZ 0.8628
1175 DCY 0.8628
1176 HHN 0.8625
1177 44W 0.8622
1178 IAC 0.8622
1179 MMA 0.8621
1180 JUG 0.8620
1181 DQU 0.8620
1182 ABI 0.8619
1183 MJ2 0.8618
1184 FLC 0.8616
1185 SDD 0.8616
1186 GLL 0.8614
1187 M0Q 0.8612
1188 GCO 0.8612
1189 GLN 0.8609
1190 PFL 0.8607
1191 60Q 0.8605
1192 DTI 0.8602
1193 PRF 0.8601
1194 4MU 0.8599
1195 PHE 0.8598
1196 0FO 0.8597
1197 K17 0.8593
1198 OTW 0.8588
1199 HYN 0.8585
1200 PDC 0.8585
1201 JRB 0.8583
1202 0N7 0.8579
1203 KDF 0.8578
1204 C5J 0.8577
1205 4WL 0.8575
1206 KMT 0.8573
1207 EOL 0.8572
1208 N2I 0.8566
1209 PIH 0.8561
1210 PBA 0.8556
1211 JAW 0.8555
1212 6OT 0.8554
1213 EJZ 0.8553
1214 CFA 0.8550
1215 DHY 0.8541
1216 HGW 0.8530
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RLQ; Ligand: 3SK; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4rlq.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 5OE4 3UK 49.14
Pocket No.: 2; Query (leader) PDB : 4RLQ; Ligand: 3SK; 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: 4rlq.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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