Receptor
PDB id Resolution Class Description Source Keywords
4MRH 1.12 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF THE MURINE CD44 HYALURONAN BINDING DOMA WITH A SMALL MOLECULE MUS MUSCULUS LINK MODULE CELL RECEPTOR HYALURONAN BINDING CELL SURFACEADHESION-INHIBITOR COMPLEX
Ref.: FRAGMENT-BASED IDENTIFICATION OF AN INDUCIBLE BINDI ON CELL SURFACE RECEPTOR CD44 FOR THE DESIGN OF PROTEIN-CARBOHYDRATE INTERACTION INHIBITORS. J.MED.CHEM. V. 57 2714 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS A:202;
Invalid;
none;
submit data
78.133 C2 H6 O S CS(=O...
2CQ A:201;
Valid;
none;
Kd = 12.6 mM
156.613 C7 H9 Cl N2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NP3 1.61 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF THE MURINE CD44 HYALURONAN BINDING DOMA WITH A SMALL MOLECULE MUS MUSCULUS LINK MODULE CELL SURFACE RECEPTOR HYALURONAN NON-GLYCOSYLCELL SURFACE CELL ADHESION-INHIBITOR COMPLEX
Ref.: FRAGMENT-BASED IDENTIFICATION OF AN INDUCIBLE BINDI ON CELL SURFACE RECEPTOR CD44 FOR THE DESIGN OF PROTEIN-CARBOHYDRATE INTERACTION INHIBITORS. J.MED.CHEM. V. 57 2714 2014
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 4NP3 Kd = 0.5 mM 2L2 C14 H18 N4 Cc1c([nH]c....
2 4MRE Kd = 6.4 mM 2C9 C7 H10 N2 Cc1cccc(c1....
3 4MRG Kd = 1.1 mM 24W C9 H12 N2 c1cc2c(c(c....
4 4MRF Kd = 11.2 mM 2CK C9 H11 N c1ccc2c(c1....
5 4NP2 Kd = 5.5 mM 2L1 C14 H17 N3 Cc1c([nH]c....
6 2JCQ - NAG BDP NAG BDP NAG BDP NAG n/a n/a
7 2JCR - NAG BDP NAG BDP NAG BDP NAG n/a n/a
8 4MRH Kd = 12.6 mM 2CQ C7 H9 Cl N2 Cc1cc(c(cc....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 4NP3 Kd = 0.5 mM 2L2 C14 H18 N4 Cc1c([nH]c....
2 4MRE Kd = 6.4 mM 2C9 C7 H10 N2 Cc1cccc(c1....
3 4MRG Kd = 1.1 mM 24W C9 H12 N2 c1cc2c(c(c....
4 4MRF Kd = 11.2 mM 2CK C9 H11 N c1ccc2c(c1....
5 4NP2 Kd = 5.5 mM 2L1 C14 H17 N3 Cc1c([nH]c....
6 2JCQ - NAG BDP NAG BDP NAG BDP NAG n/a n/a
7 2JCR - NAG BDP NAG BDP NAG BDP NAG n/a n/a
8 4MRH Kd = 12.6 mM 2CQ C7 H9 Cl N2 Cc1cc(c(cc....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 4NP3 Kd = 0.5 mM 2L2 C14 H18 N4 Cc1c([nH]c....
2 4MRE Kd = 6.4 mM 2C9 C7 H10 N2 Cc1cccc(c1....
3 4MRG Kd = 1.1 mM 24W C9 H12 N2 c1cc2c(c(c....
4 4MRF Kd = 11.2 mM 2CK C9 H11 N c1ccc2c(c1....
5 4NP2 Kd = 5.5 mM 2L1 C14 H17 N3 Cc1c([nH]c....
6 2JCQ - NAG BDP NAG BDP NAG BDP NAG n/a n/a
7 2JCR - NAG BDP NAG BDP NAG BDP NAG n/a n/a
8 4MRH Kd = 12.6 mM 2CQ C7 H9 Cl N2 Cc1cc(c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2CQ; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 2CQ 1 1
2 150 0.5 0.791667
Similar Ligands (3D)
Ligand no: 1; Ligand: 2CQ; Similar ligands found: 975
No: Ligand Similarity coefficient
1 TC7 1.0000
2 F4Z 0.9994
3 1WG 0.9990
4 45C 0.9986
5 G6D 0.9814
6 25W 0.9809
7 43M 0.9690
8 MCT 0.9661
9 MWM 0.9659
10 275 0.9657
11 F5B 0.9651
12 6M9 0.9648
13 TH0 0.9646
14 HT4 0.9639
15 QOS 0.9633
16 F05 0.9632
17 4CL 0.9629
18 34A 0.9629
19 XBZ 0.9628
20 IUR 0.9626
21 XYD 0.9626
22 TM7 0.9625
23 4ZE 0.9625
24 2MP 0.9625
25 4JO 0.9624
26 2AC 0.9620
27 27Y 0.9619
28 GLC 0.9615
29 5MH 0.9615
30 5UC 0.9615
31 TDR 0.9615
32 0RW 0.9609
33 4JJ 0.9609
34 2YU 0.9603
35 DMD 0.9599
36 7CZ 0.9597
37 5JC 0.9595
38 PYD 0.9595
39 ICP 0.9595
40 TLD 0.9594
41 4HO 0.9594
42 MZG 0.9593
43 XXR 0.9592
44 BGC 0.9589
45 9EW 0.9588
46 JZ2 0.9587
47 MWJ 0.9585
48 QWN 0.9582
49 URF 0.9581
50 WBU 0.9578
51 A1U 0.9577
52 1PT 0.9572
53 BR9 0.9570
54 ADZ 0.9570
55 1MC 0.9569
56 1DW 0.9569
57 3Z7 0.9569
58 5CL 0.9559
59 3ZQ 0.9558
60 0TR 0.9554
61 3ID 0.9544
62 QXW 0.9543
63 HLR 0.9534
64 EXO 0.9529
65 SVN 0.9527
66 1P7 0.9524
67 3DO 0.9515
68 QUZ 0.9509
69 Y8I 0.9508
70 KKN 0.9503
71 NPY 0.9500
72 4ZC 0.9499
73 7W4 0.9496
74 6M4 0.9496
75 5B1 0.9494
76 YCP 0.9491
77 RAM 0.9491
78 BZX 0.9478
79 ISN 0.9477
80 5WV 0.9474
81 8H8 0.9471
82 7B4 0.9471
83 ES7 0.9470
84 HMH 0.9466
85 RSF 0.9464
86 6AI 0.9450
87 5MB 0.9449
88 NBZ 0.9449
89 IT2 0.9447
90 ES9 0.9443
91 TH7 0.9443
92 6PC 0.9441
93 BEZ 0.9437
94 IND 0.9436
95 BEN 0.9436
96 XYP 0.9434
97 JAE 0.9430
98 14O 0.9430
99 GAL 0.9430
100 F60 0.9428
101 5MI 0.9428
102 5H1 0.9428
103 BZI 0.9427
104 DEN 0.9426
105 0CT 0.9425
106 IDH 0.9425
107 H4N 0.9421
108 NK 0.9420
109 FK1 0.9419
110 11S 0.9419
111 FYU 0.9417
112 5Q0 0.9417
113 ISE 0.9417
114 KJY 0.9415
115 1LQ 0.9410
116 8S0 0.9408
117 OXE 0.9407
118 GXY 0.9406
119 PBC 0.9406
120 BZF 0.9404
121 3U4 0.9404
122 4JP 0.9404
123 1SQ 0.9404
124 ES1 0.9399
125 AHR 0.9398
126 LXC 0.9397
127 3F0 0.9396
128 MPI 0.9396
129 40O 0.9394
130 BHO 0.9394
131 GVH 0.9394
132 HQY 0.9393
133 2K4 0.9393
134 4XH 0.9393
135 SAL 0.9392
136 HH8 0.9391
137 G3F 0.9390
138 0R1 0.9390
139 BAM 0.9389
140 BTE 0.9388
141 5SG 0.9387
142 5IQ 0.9387
143 24B 0.9387
144 INS 0.9386
145 PZA 0.9385
146 XQ0 0.9384
147 32X 0.9384
148 GCS 0.9384
149 DBH 0.9381
150 BE2 0.9379
151 JPZ 0.9379
152 VGL 0.9379
153 NCA 0.9378
154 6MP 0.9376
155 LZ1 0.9375
156 8NY 0.9375
157 FE DB1 0.9374
158 BEW 0.9373
159 N5J 0.9372
160 8GC 0.9372
161 4XR 0.9371
162 4YS 0.9369
163 IDM 0.9368
164 GYE 0.9368
165 3HA 0.9367
166 JBK 0.9366
167 1NP 0.9365
168 3M0 0.9365
169 CAQ 0.9364
170 UNU 0.9361
171 ES6 0.9358
172 4SV 0.9356
173 GBD 0.9353
174 SS1 0.9353
175 BP1 0.9352
176 2CK 0.9350
177 NTN 0.9350
178 9DA 0.9349
179 JBH 0.9349
180 JB5 0.9346
181 ADE 0.9344
182 2CH 0.9344
183 ZZT 0.9344
184 2AQ 0.9343
185 3PF 0.9340
186 JBE 0.9339
187 NIO 0.9338
188 1LM 0.9337
189 FUL 0.9336
190 ALL 0.9335
191 BE7 0.9333
192 O72 0.9332
193 COU 0.9332
194 NSP 0.9330
195 PM6 0.9329
196 ES4 0.9328
197 G3E 0.9322
198 OCH 0.9321
199 24W 0.9320
200 ES5 0.9318
201 HPA 0.9315
202 4FS 0.9311
203 9HX 0.9311
204 QSC 0.9310
205 03V 0.9303
206 DHQ 0.9301
207 4Z4 0.9300
208 10L 0.9298
209 HMU 0.9296
210 SE2 0.9295
211 HTS 0.9295
212 JFD 0.9295
213 7HQ 0.9294
214 5RG 0.9294
215 I3A 0.9292
216 7WA 0.9291
217 DQN 0.9291
218 2AF 0.9290
219 J5I 0.9289
220 KUF 0.9285
221 LT2 0.9284
222 6X8 0.9284
223 YAN 0.9284
224 B53 0.9284
225 2HQ 0.9283
226 NMJ 0.9283
227 3AB 0.9280
228 4CS 0.9278
229 E7Z 0.9278
230 M1A 0.9278
231 1WD 0.9278
232 WOO 0.9276
233 0R0 0.9275
234 J1Z 0.9274
235 D48 0.9273
236 1AN 0.9273
237 JZ3 0.9272
238 3NT 0.9272
239 86J 0.9270
240 F3B 0.9269
241 WCE 0.9268
242 L89 0.9268
243 HX3 0.9268
244 GAB 0.9266
245 5HN 0.9265
246 93Q 0.9265
247 7HP 0.9265
248 0P6 0.9263
249 FPY 0.9262
250 SWD 0.9261
251 EQT 0.9260
252 5QY 0.9260
253 L3Q 0.9259
254 RM1 0.9258
255 3HB 0.9257
256 ABV 0.9256
257 OXQ 0.9254
258 I1N 0.9254
259 FP2 0.9253
260 938 0.9253
261 FUC 0.9253
262 92Z 0.9252
263 9MG 0.9252
264 JKE 0.9251
265 IBF 0.9251
266 ABE 0.9250
267 GAG 0.9250
268 PCI 0.9250
269 M58 0.9249
270 8LG 0.9248
271 BBF 0.9247
272 T6C 0.9247
273 GTQ 0.9246
274 76X 0.9246
275 JZ0 0.9246
276 8CM 0.9245
277 TP5 0.9244
278 BRT 0.9243
279 OVV 0.9243
280 CWS 0.9242
281 35C 0.9242
282 BCF 0.9241
283 3BZ 0.9240
284 LGC 0.9236
285 AC0 0.9236
286 JAB 0.9235
287 KOJ 0.9235
288 42A 0.9234
289 H42 0.9233
290 RIP 0.9232
291 URA 0.9231
292 JZ9 0.9230
293 AZA 0.9229
294 RCO 0.9227
295 7WV 0.9226
296 Q88 0.9224
297 LZM 0.9223
298 1U6 0.9222
299 0W8 0.9222
300 DFU 0.9222
301 54G 0.9222
302 SHG 0.9221
303 OAA 0.9219
304 0MK 0.9217
305 AJV 0.9216
306 CWM 0.9216
307 7MH 0.9215
308 1XN 0.9213
309 HFB 0.9212
310 5M0 0.9210
311 BOA 0.9208
312 4M4 0.9208
313 53C 0.9207
314 HHA 0.9204
315 4NC 0.9201
316 FCA 0.9200
317 CRS 0.9200
318 2D0 0.9198
319 3CH 0.9198
320 2EC 0.9198
321 YH7 0.9195
322 PRO 0.9190
323 FOA 0.9189
324 9DG 0.9188
325 A2F 0.9186
326 CYT 0.9186
327 GUN 0.9184
328 PYC 0.9184
329 JIF 0.9183
330 QX2 0.9183
331 5MK 0.9182
332 NOJ 0.9182
333 6AP 0.9181
334 BMA 0.9181
335 BCP 0.9180
336 284 0.9180
337 V55 0.9179
338 XAN 0.9177
339 3XX 0.9177
340 26D 0.9175
341 1XM 0.9172
342 LG3 0.9171
343 SX1 0.9170
344 LG5 0.9165
345 2PC 0.9164
346 AZ8 0.9163
347 TZC 0.9163
348 XYS 0.9160
349 60P 0.9158
350 Q24 0.9156
351 JXN 0.9156
352 PE0 0.9155
353 6F0 0.9154
354 XBT 0.9154
355 GRE 0.9152
356 6CS 0.9152
357 F0J 0.9151
358 1XX 0.9151
359 QWW 0.9150
360 AZG 0.9150
361 TBP 0.9149
362 MUA 0.9148
363 IGA 0.9147
364 290 0.9147
365 FDB 0.9146
366 CIG 0.9145
367 2ZV 0.9145
368 CFP 0.9145
369 ES0 0.9144
370 7VJ 0.9142
371 9TZ 0.9142
372 273 0.9141
373 MR1 0.9139
374 KBG 0.9138
375 XM0 0.9137
376 ISZ 0.9136
377 BVF 0.9136
378 5OB 0.9134
379 286 0.9132
380 DGJ 0.9132
381 HY3 0.9131
382 XQG 0.9130
383 8GF 0.9128
384 M5K 0.9127
385 54D 0.9126
386 NEQ 0.9125
387 BZ3 0.9124
388 23A 0.9120
389 141 0.9119
390 14J 0.9119
391 MEW 0.9114
392 B3R 0.9110
393 0CU 0.9107
394 AX7 0.9106
395 270 0.9106
396 265 0.9106
397 M6N 0.9105
398 AQO 0.9104
399 67N 0.9104
400 7VS 0.9101
401 SOE 0.9098
402 HLZ 0.9096
403 C21 0.9095
404 PXL 0.9095
405 KT7 0.9094
406 B60 0.9093
407 DX4 0.9092
408 INO 0.9092
409 HH5 0.9091
410 HGQ 0.9090
411 1P3 0.9090
412 DUC 0.9089
413 FBB 0.9089
414 M3T 0.9089
415 3Z8 0.9088
416 JZ1 0.9084
417 BML 0.9083
418 PYG 0.9082
419 2MI 0.9081
420 HEW 0.9081
421 P9P 0.9080
422 J9T 0.9079
423 MAQ 0.9078
424 5XC 0.9076
425 2HO 0.9075
426 4HC 0.9075
427 MYJ 0.9071
428 4AA 0.9071
429 9TW 0.9070
430 4CH 0.9069
431 AZ9 0.9068
432 AJ2 0.9067
433 PBR 0.9067
434 J9W 0.9066
435 3HM 0.9066
436 XX2 0.9066
437 JBQ 0.9065
438 PCR 0.9065
439 JBN 0.9064
440 93K 0.9064
441 4JN 0.9063
442 PFB 0.9062
443 4H2 0.9062
444 M0Q 0.9062
445 UNC 0.9061
446 MRW 0.9060
447 NIZ 0.9060
448 F81 0.9058
449 ARB 0.9058
450 PLQ 0.9057
451 HHQ 0.9056
452 K2T 0.9056
453 5WX 0.9055
454 3WA 0.9054
455 EUG 0.9054
456 SMV 0.9053
457 EA1 0.9052
458 FQI 0.9052
459 HQD 0.9051
460 R8A 0.9050
461 MWP 0.9048
462 FHB 0.9045
463 36R 0.9045
464 SYV 0.9045
465 GOO 0.9044
466 4A3 0.9044
467 DHB 0.9043
468 DBJ 0.9043
469 M1Q 0.9043
470 NNO 0.9041
471 MO8 0.9041
472 FLM 0.9040
473 3RK 0.9040
474 P92 0.9040
475 XYL 0.9040
476 CHB 0.9039
477 YTB 0.9038
478 VGD 0.9037
479 LKA 0.9036
480 25R 0.9035
481 OXC 0.9033
482 CFI 0.9032
483 FBM 0.9031
484 6HQ 0.9031
485 G5V 0.9030
486 ASC 0.9029
487 M1H 0.9029
488 FPN 0.9027
489 MBD 0.9027
490 R8V 0.9025
491 KJH 0.9024
492 12Q 0.9024
493 M0W 0.9024
494 3FA 0.9023
495 HQE 0.9022
496 SYN 0.9021
497 282 0.9021
498 4JT 0.9020
499 DRL 0.9020
500 DIN 0.9019
501 JLZ 0.9018
502 FOT 0.9018
503 LG4 0.9017
504 TMZ 0.9017
505 5VM 0.9016
506 IJZ 0.9016
507 ORO 0.9016
508 ET2 0.9015
509 RM4 0.9015
510 4XX 0.9015
511 6GU 0.9014
512 FUF 0.9013
513 A7W 0.9011
514 4M0 0.9011
515 1P8 0.9009
516 7W1 0.9008
517 CLW 0.9007
518 3SK 0.9006
519 GLA 0.9006
520 PXY 0.9005
521 SJ5 0.9004
522 2C9 0.9003
523 R8S 0.9002
524 QSB 0.9002
525 3IT 0.9001
526 39A 0.9000
527 6M1 0.8999
528 2MY 0.8999
529 FAN 0.8999
530 3OC 0.8999
531 IHB 0.8998
532 M1E 0.8998
533 3MC 0.8997
534 64K 0.8997
535 ZBT 0.8996
536 6RQ 0.8996
537 QBK 0.8992
538 2AK 0.8991
539 HIS 0.8991
540 HQT 0.8988
541 2A9 0.8987
542 RNS 0.8987
543 DIU 0.8986
544 4YO 0.8986
545 DA1 0.8984
546 2MH 0.8984
547 FCB 0.8984
548 ARA 0.8984
549 ADK 0.8983
550 VNJ 0.8980
551 MFB 0.8980
552 7MU 0.8979
553 DFB 0.8979
554 FBV 0.8977
555 4HM 0.8977
556 MLT 0.8977
557 XHP 0.8976
558 5QX 0.8974
559 3CE 0.8973
560 DUB 0.8973
561 2CM 0.8965
562 NPO 0.8964
563 RIB 0.8964
564 DOB 0.8963
565 PXM 0.8962
566 FFP 0.8962
567 GMN 0.8961
568 MQN 0.8961
569 3MH 0.8960
570 5NU 0.8960
571 HBA 0.8959
572 C2U 0.8959
573 6MH 0.8959
574 BHA 0.8958
575 MAK 0.8958
576 ES2 0.8957
577 JUG 0.8955
578 FA0 0.8954
579 3MA 0.8950
580 KIV 0.8949
581 F31 0.8948
582 KYD 0.8947
583 0TU 0.8946
584 44W 0.8944
585 4JQ 0.8941
586 ABN 0.8941
587 MNM 0.8941
588 HPY 0.8941
589 JA8 0.8940
590 YIO 0.8939
591 TEP 0.8938
592 23W 0.8936
593 82I 0.8935
594 PCA 0.8933
595 285 0.8933
596 IOL 0.8932
597 G1O 0.8931
598 NDM 0.8931
599 B62 0.8931
600 MAN 0.8931
601 F9Y 0.8930
602 NOY 0.8928
603 K5W 0.8924
604 3DM 0.8923
605 AW5 0.8923
606 0N7 0.8922
607 PHB 0.8922
608 IV2 0.8921
609 FRU 0.8921
610 CTS 0.8920
611 URC 0.8920
612 8WT 0.8920
613 SRT 0.8919
614 KJU 0.8919
615 0FO 0.8915
616 URP 0.8915
617 2DR 0.8913
618 YHO 0.8911
619 95Z 0.8911
620 8ZE 0.8908
621 TTL 0.8908
622 AZF 0.8906
623 PKU 0.8905
624 826 0.8904
625 HBD 0.8904
626 BTY 0.8904
627 2XX 0.8902
628 4HS 0.8900
629 0JD 0.8900
630 TM4 0.8900
631 IFL 0.8900
632 149 0.8899
633 PY7 0.8898
634 173 0.8897
635 MXN 0.8897
636 TMT 0.8896
637 F9P 0.8895
638 TBS 0.8892
639 42C 0.8892
640 PBZ 0.8890
641 FPK 0.8890
642 B55 0.8889
643 CFF 0.8889
644 OTW 0.8888
645 PYQ 0.8885
646 D07 0.8884
647 ZWZ 0.8884
648 DOR 0.8884
649 5RN 0.8883
650 IF7 0.8883
651 X05 0.8880
652 GIO 0.8879
653 75K 0.8878
654 DTL 0.8878
655 DIE 0.8876
656 EYK 0.8875
657 2H5 0.8874
658 GLT 0.8874
659 MT0 0.8873
660 5CU 0.8872
661 12M 0.8869
662 HJP 0.8869
663 ASO 0.8869
664 Z82 0.8867
665 Q6T 0.8867
666 DQU 0.8867
667 5JQ 0.8867
668 1Y6 0.8866
669 5JL 0.8864
670 IPB 0.8863
671 CTL 0.8863
672 H3M 0.8862
673 5GU 0.8862
674 VNL 0.8861
675 PYF 0.8860
676 QX4 0.8860
677 HXX 0.8858
678 2FG 0.8858
679 GZL 0.8857
680 EVA 0.8855
681 6LW 0.8854
682 PAB 0.8853
683 SKA 0.8852
684 8OZ 0.8852
685 HZQ 0.8851
686 174 0.8851
687 JXW 0.8851
688 HBX 0.8850
689 44V 0.8849
690 DBX 0.8849
691 GOX 0.8849
692 260 0.8848
693 N2I 0.8847
694 PZI 0.8847
695 B57 0.8846
696 P3K 0.8845
697 94N 0.8845
698 261 0.8844
699 XAZ 0.8842
700 4JU 0.8840
701 13X 0.8840
702 495 0.8838
703 4MA 0.8838
704 K17 0.8837
705 UEG 0.8837
706 MVN 0.8837
707 XCZ 0.8835
708 IFM 0.8835
709 PRF 0.8834
710 LDP 0.8831
711 C2A 0.8830
712 G4D 0.8830
713 PQ0 0.8829
714 8TX 0.8829
715 BR8 0.8828
716 JZ5 0.8827
717 H8N 0.8826
718 4VP 0.8825
719 SVD 0.8825
720 51R 0.8824
721 VOH 0.8824
722 TOF 0.8823
723 AX2 0.8823
724 ICO 0.8822
725 LMR 0.8820
726 MZB 0.8818
727 TFU 0.8818
728 8IG 0.8817
729 3AY 0.8816
730 FB2 0.8815
731 SWA 0.8814
732 CIZ 0.8813
733 TFB 0.8813
734 ECE 0.8812
735 6UA 0.8811
736 X09 0.8810
737 GCB 0.8810
738 G2F 0.8810
739 XIY 0.8809
740 DYA 0.8809
741 5ZE 0.8807
742 N8Y 0.8806
743 LCN 0.8806
744 SOR 0.8803
745 717 0.8802
746 EKZ 0.8800
747 5RO 0.8799
748 2BG 0.8799
749 LSA 0.8799
750 FP1 0.8797
751 BSX 0.8796
752 KBB 0.8796
753 1MR 0.8795
754 FSW 0.8792
755 RHU 0.8791
756 SW7 0.8790
757 HIO 0.8790
758 SHA 0.8789
759 3MB 0.8789
760 2ZX 0.8787
761 NDH 0.8787
762 UAN 0.8786
763 1KP 0.8785
764 1DU 0.8784
765 KG7 0.8783
766 TSS 0.8783
767 BDP 0.8780
768 6ME 0.8780
769 MFU 0.8780
770 AC6 0.8779
771 AKH 0.8779
772 92K 0.8779
773 6KX 0.8778
774 FPI 0.8777
775 4MU 0.8776
776 XUL 0.8776
777 15E 0.8774
778 MRZ 0.8774
779 3SL 0.8772
780 4P5 0.8771
781 ERH 0.8770
782 OXZ 0.8769
783 MZW 0.8769
784 OK7 0.8768
785 3FH 0.8768
786 PHH 0.8767
787 P72 0.8767
788 7B3 0.8766
789 OVP 0.8763
790 OVM 0.8759
791 2LP 0.8759
792 JYB 0.8758
793 3R6 0.8758
794 RB5 0.8758
795 FBT 0.8758
796 12B 0.8757
797 ASP 0.8756
798 K34 0.8755
799 TAR 0.8754
800 MSN 0.8750
801 2KT 0.8750
802 L99 0.8744
803 WDL 0.8744
804 A65 0.8744
805 8WO 0.8743
806 RMN 0.8741
807 FBA 0.8740
808 URQ 0.8738
809 H76 0.8737
810 MS9 0.8737
811 1DQ 0.8736
812 948 0.8735
813 MLI 0.8734
814 1DV 0.8733
815 JND 0.8732
816 FB1 0.8731
817 IP0 0.8729
818 7NI 0.8729
819 FBW 0.8728
820 280 0.8727
821 DMJ 0.8726
822 ASN 0.8726
823 HIU 0.8726
824 SXS 0.8725
825 069 0.8724
826 OW4 0.8723
827 UY7 0.8722
828 9FL 0.8719
829 GCU 0.8718
830 PHU 0.8715
831 MBG 0.8714
832 CGB 0.8714
833 ZVO 0.8714
834 KDV 0.8713
835 45L 0.8713
836 KLW 0.8712
837 C5J 0.8710
838 X6X 0.8710
839 LRH 0.8710
840 AJY 0.8710
841 9KT 0.8710
842 YSO 0.8710
843 VK3 0.8707
844 4JM 0.8707
845 TGX 0.8707
846 M2K 0.8704
847 680 0.8703
848 47J 0.8703
849 K8X 0.8702
850 M2H 0.8702
851 9CA 0.8699
852 BEA 0.8699
853 PAF 0.8698
854 KPL 0.8697
855 IFP 0.8696
856 6NT 0.8695
857 PA1 0.8693
858 GAF 0.8693
859 Z6J 0.8692
860 PRY 0.8690
861 APZ 0.8689
862 4PW 0.8688
863 LNR 0.8688
864 1IT 0.8687
865 NTM 0.8687
866 7ZE 0.8686
867 FH2 0.8685
868 TCZ 0.8685
869 GXL 0.8685
870 2ZQ 0.8684
871 37T 0.8683
872 RPQ 0.8681
873 NQ 0.8680
874 5AN 0.8680
875 MLA 0.8678
876 MB3 0.8675
877 9R5 0.8675
878 TPA 0.8674
879 SFU 0.8674
880 FDK 0.8674
881 4ZA 0.8674
882 R2B 0.8670
883 ICC 0.8670
884 SRO 0.8669
885 329 0.8669
886 PHT 0.8668
887 1M2 0.8667
888 GLF 0.8665
889 5WY 0.8665
890 RXA 0.8662
891 0HO 0.8661
892 O7U 0.8661
893 D1X 0.8655
894 IPH 0.8655
895 INE 0.8653
896 K6X 0.8652
897 1GN 0.8652
898 GIF 0.8651
899 QAS 0.8649
900 JZ4 0.8647
901 KP6 0.8647
902 VAL 0.8645
903 PMB 0.8642
904 6VD 0.8640
905 4JL 0.8640
906 S76 0.8640
907 2AL 0.8640
908 3PY 0.8638
909 GM7 0.8638
910 GDE 0.8638
911 MBN 0.8635
912 AGK 0.8635
913 1AB 0.8632
914 OHG 0.8627
915 42J 0.8626
916 UQ 0.8626
917 ZXD 0.8625
918 CN0 0.8625
919 HVK 0.8625
920 KSW 0.8623
921 LI6 0.8622
922 A13 0.8620
923 9PO 0.8616
924 4WL 0.8615
925 X0V 0.8614
926 GIV 0.8613
927 C2B 0.8610
928 NID 0.8610
929 24T 0.8610
930 HRZ 0.8608
931 AMG 0.8606
932 QSH 0.8606
933 0HN 0.8605
934 JU2 0.8603
935 3NY 0.8603
936 JXZ 0.8603
937 1F1 0.8602
938 CYH 0.8601
939 WOT 0.8600
940 GXE 0.8600
941 TLA 0.8599
942 DHK 0.8598
943 GJS 0.8592
944 ALO 0.8591
945 KIB 0.8590
946 3AP 0.8590
947 DTI 0.8590
948 JG8 0.8590
949 CWJ 0.8587
950 DNF 0.8580
951 94W 0.8575
952 PH2 0.8572
953 P2D 0.8570
954 CEJ 0.8567
955 ZZ3 0.8565
956 2AP 0.8562
957 HAI 0.8561
958 0LH 0.8560
959 4AP 0.8560
960 GCW 0.8560
961 H7Y 0.8558
962 F12 0.8553
963 TTY 0.8550
964 BNT 0.8545
965 AAE 0.8541
966 0FN 0.8540
967 E60 0.8539
968 FUB 0.8537
969 LDU 0.8530
970 TSU 0.8529
971 ABI 0.8524
972 LGA 0.8520
973 FUD 0.8520
974 ABA 0.8519
975 MRY 0.8517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NP3; Ligand: 2L2; 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: 4np3.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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