Receptor
PDB id Resolution Class Description Source Keywords
3LK1 1.79 Å NON-ENZYME: OTHER X-RAY STRUCTURE OF BOVINE SC0322,CA(2+)-S100B BOS TAURUS EF HAND ALPHA HELICAL METAL-BINDING METAL BINDING PROTEIN
Ref.: IN VITRO SCREENING AND STRUCTURAL CHARACTERIZATION INHIBITORS OF THE S100B-P53 INTERACTION. INT J HIGH THROUGHPUT SCREEN V.2010 109 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:90;
A:91;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
EMC A:92;
 Invalid;
 none;
 submit data
229.651 C2 H5 Hg CC[Hg...
JKE A:93;
 Valid;
 none;
 Kd = 55.2 uM
154.186 C7 H6 O2 S c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CR4 2.15 Å NON-ENZYME: OTHER X-RAY STRUCTURE OF BOVINE PNT,CA(2+)-S100B BOS TAURUS EF HAND ALPHA HELICAL METAL-BINDING NUCLEUS METAL BINDIN
Ref.: DIVALENT METAL ION COMPLEXES OF S100B IN THE ABSENC PRESENCE OF PENTAMIDINE. J.MOL.BIOL. V. 382 56 2008
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3GK2 Kd = 2 mM 27A C13 H19 N5 S CN1CCN(CC1....
2 3CR4 Kd = 53 uM PNT C19 H24 N4 O2 c1cc(ccc1C....
3 5DKQ - 5D0 C25 H32 N4 O2 c1cc(ccc1C....
4 5DKN Kd = 202.6 uM B7I C25 H28 N4 O2 c1cc(ccc1c....
5 3LK1 Kd = 55.2 uM JKE C7 H6 O2 S c1ccc(c(c1....
6 3GK4 Kd = 120 uM 53A C18 H20 N4 O5 S CCOC(=O)C1....
7 5DKR Kd = 6 uM 5CZ C22 H19 N5 O [H]/N=C(c1....
8 3HCM - S45 C13 H14 Cl N3 O c1cc(ccc1c....
9 3LK0 Kd = 696.9 uM Z80 C17 H19 Cl N2 S CN(C)CCCN1....
10 3CR5 Kd = 64 uM PNT C19 H24 N4 O2 c1cc(ccc1C....
11 3GK1 Kd = 80 uM 32A C13 H17 N3 O2 S CCCCC#Cc1c....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3GK2 Kd = 2 mM 27A C13 H19 N5 S CN1CCN(CC1....
2 3CR4 Kd = 53 uM PNT C19 H24 N4 O2 c1cc(ccc1C....
3 5DKQ - 5D0 C25 H32 N4 O2 c1cc(ccc1C....
4 5DKN Kd = 202.6 uM B7I C25 H28 N4 O2 c1cc(ccc1c....
5 3LK1 Kd = 55.2 uM JKE C7 H6 O2 S c1ccc(c(c1....
6 3GK4 Kd = 120 uM 53A C18 H20 N4 O5 S CCOC(=O)C1....
7 5DKR Kd = 6 uM 5CZ C22 H19 N5 O [H]/N=C(c1....
8 3HCM - S45 C13 H14 Cl N3 O c1cc(ccc1c....
9 3LK0 Kd = 696.9 uM Z80 C17 H19 Cl N2 S CN(C)CCCN1....
10 3CR5 Kd = 64 uM PNT C19 H24 N4 O2 c1cc(ccc1C....
11 3GK1 Kd = 80 uM 32A C13 H17 N3 O2 S CCCCC#Cc1c....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3GK2 Kd = 2 mM 27A C13 H19 N5 S CN1CCN(CC1....
2 3CR4 Kd = 53 uM PNT C19 H24 N4 O2 c1cc(ccc1C....
3 5DKQ - 5D0 C25 H32 N4 O2 c1cc(ccc1C....
4 5DKN Kd = 202.6 uM B7I C25 H28 N4 O2 c1cc(ccc1c....
5 3LK1 Kd = 55.2 uM JKE C7 H6 O2 S c1ccc(c(c1....
6 3GK4 Kd = 120 uM 53A C18 H20 N4 O5 S CCOC(=O)C1....
7 5DKR Kd = 6 uM 5CZ C22 H19 N5 O [H]/N=C(c1....
8 3HCM - S45 C13 H14 Cl N3 O c1cc(ccc1c....
9 3LK0 Kd = 696.9 uM Z80 C17 H19 Cl N2 S CN(C)CCCN1....
10 3CR5 Kd = 64 uM PNT C19 H24 N4 O2 c1cc(ccc1C....
11 3GK1 Kd = 80 uM 32A C13 H17 N3 O2 S CCCCC#Cc1c....
12 3KO0 - TFP C21 H24 F3 N3 S CN1CCN(CC1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: JKE; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 JKE 1 1
2 23J 0.625 0.75
3 SAL 0.516129 0.625
4 3SK 0.454545 0.6
5 1WD 0.405405 0.730769
Similar Ligands (3D)
Ligand no: 1; Ligand: JKE; Similar ligands found: 1311
No: Ligand Similarity coefficient
1 7WV 1.0000
2 BE2 1.0000
3 4SV 0.9999
4 JBE 0.9957
5 ES6 0.9930
6 VNJ 0.9925
7 3U4 0.9898
8 SVN 0.9828
9 IP0 0.9802
10 60P 0.9757
11 FA0 0.9735
12 5RG 0.9731
13 NIO 0.9729
14 5AC 0.9716
15 9TZ 0.9715
16 BEN 0.9714
17 HHA 0.9711
18 5CU 0.9706
19 6M1 0.9701
20 NCA 0.9701
21 6F0 0.9699
22 6M4 0.9696
23 BEZ 0.9693
24 JZ3 0.9685
25 6PC 0.9684
26 F05 0.9680
27 BAM 0.9672
28 YCP 0.9672
29 GTQ 0.9671
30 DOB 0.9669
31 5M0 0.9666
32 GRE 0.9663
33 NBZ 0.9663
34 DBH 0.9661
35 3HA 0.9657
36 BHA 0.9656
37 QSC 0.9651
38 G6D 0.9650
39 GYE 0.9647
40 PZA 0.9641
41 6CS 0.9639
42 SHA 0.9637
43 2CK 0.9634
44 BGC 0.9634
45 NK 0.9632
46 4M0 0.9632
47 UNU 0.9628
48 VGL 0.9626
49 SS1 0.9624
50 GBD 0.9624
51 3M0 0.9624
52 1LQ 0.9623
53 54G 0.9623
54 NTN 0.9622
55 6M9 0.9622
56 2ZV 0.9616
57 BE7 0.9611
58 GAG 0.9604
59 5MK 0.9603
60 3F0 0.9603
61 JBK 0.9600
62 25W 0.9597
63 L3Q 0.9594
64 KYD 0.9594
65 QUZ 0.9593
66 O72 0.9592
67 PBC 0.9591
68 AC0 0.9589
69 XAN 0.9589
70 R8A 0.9588
71 9EW 0.9588
72 1PT 0.9583
73 1LM 0.9582
74 BHO 0.9581
75 1SQ 0.9580
76 JZ7 0.9579
77 NPY 0.9579
78 FB1 0.9576
79 5NU 0.9575
80 N5J 0.9574
81 3DO 0.9573
82 1NP 0.9572
83 XYP 0.9571
84 24W 0.9570
85 5IQ 0.9569
86 5Q0 0.9568
87 5SG 0.9567
88 4YS 0.9564
89 FE DB1 0.9563
90 ADE 0.9561
91 7HP 0.9560
92 ASO 0.9559
93 0RW 0.9555
94 HLR 0.9554
95 GUN 0.9552
96 9DG 0.9552
97 JZ1 0.9552
98 8GC 0.9550
99 286 0.9550
100 BTE 0.9550
101 AZA 0.9550
102 FP1 0.9549
103 DX4 0.9548
104 ES1 0.9547
105 HQY 0.9547
106 FYU 0.9547
107 JBH 0.9545
108 JPZ 0.9545
109 AHR 0.9545
110 OXQ 0.9536
111 GLC 0.9535
112 HPA 0.9533
113 NPO 0.9529
114 HH5 0.9528
115 RSF 0.9527
116 8EZ 0.9526
117 SS2 0.9523
118 6GU 0.9518
119 HY3 0.9515
120 SWD 0.9512
121 IGA 0.9512
122 0R0 0.9511
123 A2F 0.9511
124 EQT 0.9510
125 DFB 0.9510
126 2LP 0.9509
127 FPK 0.9506
128 RSO 0.9506
129 DEN 0.9504
130 M58 0.9501
131 BNS 0.9499
132 141 0.9499
133 IDM 0.9498
134 6MP 0.9498
135 290 0.9497
136 4CS 0.9497
137 SRT 0.9495
138 NOJ 0.9494
139 HIO 0.9492
140 FBV 0.9492
141 SX1 0.9490
142 CFP 0.9490
143 4XH 0.9490
144 G2F 0.9489
145 HH8 0.9485
146 LXC 0.9484
147 1XN 0.9483
148 JZ9 0.9478
149 ES4 0.9478
150 PHB 0.9478
151 T9G 0.9478
152 SJ5 0.9477
153 I3A 0.9476
154 3HB 0.9475
155 GAB 0.9475
156 7WA 0.9471
157 9DA 0.9470
158 NMJ 0.9470
159 4JT 0.9469
160 3AB 0.9467
161 6AP 0.9467
162 7HQ 0.9467
163 9HX 0.9466
164 5WV 0.9466
165 10L 0.9460
166 BP1 0.9459
167 IT2 0.9457
168 M1A 0.9457
169 3NT 0.9456
170 24B 0.9455
171 3OC 0.9452
172 BZX 0.9452
173 IND 0.9450
174 OVV 0.9449
175 LCN 0.9447
176 BZI 0.9445
177 IPB 0.9444
178 7N0 0.9444
179 IPZ 0.9440
180 IFM 0.9439
181 67N 0.9439
182 1LN 0.9439
183 ASC 0.9438
184 SYG 0.9437
185 AZF 0.9435
186 HMH 0.9434
187 5H1 0.9432
188 PM6 0.9432
189 5HN 0.9431
190 1Y6 0.9428
191 IFL 0.9427
192 23A 0.9427
193 G5V 0.9423
194 53C 0.9423
195 Z82 0.9421
196 PAB 0.9420
197 AMC 0.9419
198 1XM 0.9419
199 BZF 0.9417
200 Q88 0.9417
201 14O 0.9416
202 LZ1 0.9416
203 0R1 0.9414
204 AZG 0.9410
205 CFI 0.9409
206 6AI 0.9407
207 HXX 0.9405
208 ADZ 0.9404
209 RIB 0.9403
210 AC6 0.9402
211 GVH 0.9401
212 4JP 0.9401
213 2PC 0.9400
214 0CT 0.9399
215 0CU 0.9398
216 F60 0.9397
217 2D0 0.9397
218 5MB 0.9396
219 MPI 0.9395
220 P72 0.9395
221 E7Z 0.9394
222 2K4 0.9393
223 GIO 0.9393
224 XM0 0.9392
225 G3F 0.9391
226 ISN 0.9391
227 WCE 0.9390
228 KKN 0.9389
229 YH7 0.9388
230 F5B 0.9386
231 HBD 0.9382
232 SMV 0.9381
233 OXZ 0.9380
234 DHQ 0.9379
235 C21 0.9379
236 BCP 0.9379
237 7B4 0.9378
238 261 0.9376
239 3FH 0.9376
240 7NI 0.9376
241 TAR 0.9375
242 TTL 0.9374
243 NOY 0.9373
244 2DR 0.9372
245 5RN 0.9372
246 282 0.9371
247 DHB 0.9369
248 M5K 0.9369
249 AZ8 0.9368
250 9MG 0.9368
251 ABV 0.9366
252 12M 0.9366
253 OAA 0.9366
254 32X 0.9365
255 NDH 0.9364
256 4NC 0.9364
257 5MI 0.9363
258 EA1 0.9363
259 3BZ 0.9363
260 3WA 0.9363
261 FAN 0.9362
262 ES7 0.9361
263 COU 0.9359
264 4AA 0.9358
265 SW7 0.9358
266 TP5 0.9358
267 AJ2 0.9358
268 MT0 0.9357
269 HMU 0.9356
270 EXO 0.9356
271 JBN 0.9353
272 XYS 0.9352
273 FEH 0.9351
274 PBZ 0.9351
275 Q24 0.9351
276 1AB 0.9349
277 PRO 0.9349
278 PE0 0.9349
279 BOA 0.9349
280 826 0.9348
281 R8V 0.9348
282 Q6T 0.9347
283 0TR 0.9347
284 ZZT 0.9345
285 4Z4 0.9344
286 7W4 0.9337
287 LGC 0.9337
288 4HC 0.9337
289 98J 0.9336
290 MZB 0.9335
291 TIU 0.9335
292 FBT 0.9334
293 XXR 0.9332
294 4MA 0.9330
295 03V 0.9329
296 R2B 0.9327
297 EDG 0.9326
298 12Q 0.9325
299 RM1 0.9322
300 BRT 0.9321
301 8S0 0.9320
302 CN0 0.9320
303 J9W 0.9320
304 495 0.9318
305 ES9 0.9317
306 KJH 0.9317
307 TZE 0.9316
308 ES0 0.9315
309 AX7 0.9314
310 5OB 0.9313
311 DBJ 0.9312
312 51F 0.9312
313 265 0.9311
314 DS0 0.9309
315 FUL 0.9309
316 B57 0.9306
317 JAE 0.9305
318 7W1 0.9305
319 270 0.9304
320 Z6J 0.9303
321 1P7 0.9302
322 NIZ 0.9302
323 FOA 0.9301
324 TH7 0.9300
325 1DW 0.9300
326 BSX 0.9299
327 5QX 0.9298
328 NNO 0.9298
329 ADK 0.9298
330 GCS 0.9297
331 DYA 0.9296
332 MLT 0.9296
333 ASP 0.9296
334 TH0 0.9292
335 H42 0.9291
336 11S 0.9290
337 PCA 0.9290
338 R9S 0.9290
339 HZQ 0.9289
340 PYC 0.9289
341 M0W 0.9287
342 B53 0.9287
343 CWM 0.9286
344 JBQ 0.9286
345 XX2 0.9286
346 XYL 0.9286
347 RB5 0.9286
348 M1Q 0.9285
349 3ID 0.9285
350 174 0.9284
351 93K 0.9284
352 CTS 0.9283
353 MEW 0.9283
354 LSA 0.9283
355 ABN 0.9282
356 FDB 0.9281
357 PZI 0.9281
358 1DJ 0.9279
359 ISZ 0.9278
360 1MR 0.9278
361 ISE 0.9278
362 7VS 0.9277
363 2AQ 0.9277
364 INO 0.9276
365 HQT 0.9275
366 UGC 0.9275
367 SYN 0.9274
368 EYK 0.9274
369 HY1 0.9273
370 JLZ 0.9271
371 2HO 0.9270
372 Z5P 0.9270
373 273 0.9269
374 HLZ 0.9268
375 3PF 0.9268
376 FBM 0.9266
377 JZ4 0.9266
378 47J 0.9266
379 FPI 0.9266
380 HYP 0.9265
381 GAL 0.9265
382 HBA 0.9265
383 TZC 0.9265
384 82I 0.9264
385 P9P 0.9264
386 HBX 0.9264
387 FHB 0.9263
388 AKH 0.9263
389 RHU 0.9263
390 OCH 0.9262
391 ODO 0.9262
392 39A 0.9262
393 FOT 0.9261
394 2FY 0.9260
395 PY7 0.9259
396 VNL 0.9259
397 NEQ 0.9259
398 URC 0.9259
399 8H8 0.9258
400 MS9 0.9258
401 PRY 0.9257
402 DMD 0.9257
403 J1Z 0.9257
404 URF 0.9257
405 APY 0.9257
406 FK1 0.9256
407 KOJ 0.9253
408 3Z7 0.9252
409 PMB 0.9252
410 2MI 0.9251
411 GZL 0.9251
412 2CQ 0.9251
413 NTM 0.9250
414 ES5 0.9249
415 MYJ 0.9249
416 AQO 0.9248
417 MRZ 0.9248
418 H4N 0.9247
419 XQ0 0.9247
420 4A3 0.9247
421 PYF 0.9247
422 F9P 0.9247
423 DBX 0.9246
424 150 0.9246
425 280 0.9245
426 JIF 0.9243
427 TLA 0.9243
428 7CZ 0.9243
429 CTL 0.9242
430 1P3 0.9242
431 NSP 0.9241
432 FCA 0.9241
433 42C 0.9240
434 0P6 0.9240
435 KBB 0.9238
436 3HM 0.9237
437 MCT 0.9237
438 MNN 0.9236
439 LMR 0.9236
440 PXL 0.9236
441 PRZ 0.9236
442 A7W 0.9235
443 1WG 0.9235
444 M1E 0.9235
445 4FS 0.9232
446 THE 0.9229
447 HJP 0.9228
448 NBE 0.9228
449 FB2 0.9228
450 P92 0.9227
451 UNC 0.9227
452 UY7 0.9226
453 SWA 0.9225
454 JB5 0.9223
455 97T 0.9223
456 P3K 0.9221
457 3ZQ 0.9220
458 X05 0.9219
459 SKA 0.9219
460 OK7 0.9218
461 MRY 0.9217
462 KBG 0.9216
463 SVD 0.9216
464 ICF 0.9216
465 DIU 0.9215
466 5WX 0.9212
467 K5W 0.9211
468 3XX 0.9211
469 BDP 0.9210
470 9TW 0.9210
471 QSB 0.9210
472 UEG 0.9209
473 F81 0.9209
474 TPA 0.9206
475 INS 0.9206
476 ARB 0.9205
477 O7U 0.9205
478 XBT 0.9204
479 C2U 0.9204
480 2H5 0.9203
481 ICO 0.9202
482 MWM 0.9202
483 IJZ 0.9201
484 T6C 0.9201
485 PHT 0.9200
486 3IT 0.9198
487 MXN 0.9197
488 M6N 0.9196
489 5B1 0.9194
490 J9Q 0.9194
491 WBU 0.9193
492 40E 0.9193
493 PRS 0.9192
494 92K 0.9192
495 4P5 0.9192
496 MNM 0.9191
497 BZ3 0.9191
498 GOO 0.9190
499 7MH 0.9190
500 MRW 0.9189
501 I1E 0.9187
502 9CL 0.9187
503 RAM 0.9187
504 1DU 0.9186
505 MAN 0.9186
506 QOS 0.9185
507 A1U 0.9185
508 LZM 0.9185
509 ALO 0.9184
510 KLW 0.9184
511 JZ5 0.9184
512 QX2 0.9183
513 MBD 0.9183
514 8CM 0.9182
515 4ZE 0.9180
516 52C 0.9180
517 CHB 0.9179
518 PHU 0.9179
519 FUB 0.9179
520 M2H 0.9178
521 PYG 0.9178
522 KT7 0.9177
523 2MN 0.9177
524 GJZ 0.9176
525 DIN 0.9175
526 3MA 0.9175
527 AZ9 0.9175
528 TEO 0.9173
529 PXM 0.9172
530 2RH 0.9172
531 HSE 0.9172
532 37T 0.9170
533 8NY 0.9169
534 COI 0.9168
535 TDR 0.9167
536 MAK 0.9167
537 8OZ 0.9166
538 2XX 0.9166
539 2MP 0.9165
540 8TX 0.9165
541 FQI 0.9164
542 64K 0.9163
543 RMN 0.9162
544 DHK 0.9161
545 4XR 0.9161
546 TM7 0.9160
547 ALL 0.9159
548 PAC 0.9159
549 PYJ 0.9159
550 3Z8 0.9158
551 OXC 0.9158
552 B55 0.9157
553 KUF 0.9156
554 DMJ 0.9155
555 42A 0.9155
556 M2K 0.9154
557 329 0.9154
558 275 0.9153
559 GDE 0.9153
560 J9T 0.9153
561 XBZ 0.9153
562 4ZC 0.9153
563 4NG 0.9152
564 URP 0.9152
565 GMN 0.9152
566 1MC 0.9151
567 CWS 0.9150
568 3RK 0.9150
569 LYL 0.9149
570 OHP 0.9149
571 NXA 0.9148
572 ROR 0.9147
573 5QY 0.9147
574 173 0.9147
575 XLS 0.9146
576 4HO 0.9146
577 51R 0.9144
578 CRN 0.9144
579 BTY 0.9143
580 G1O 0.9143
581 M4T 0.9142
582 JUG 0.9142
583 FPY 0.9140
584 34A 0.9140
585 DOR 0.9140
586 ICP 0.9140
587 2PG 0.9139
588 RXA 0.9139
589 PYD 0.9138
590 54D 0.9138
591 EVA 0.9135
592 RM4 0.9134
593 14J 0.9134
594 NQ 0.9134
595 KIV 0.9134
596 HQD 0.9134
597 5CL 0.9134
598 CXF 0.9133
599 PBE 0.9130
600 JFD 0.9129
601 4VP 0.9127
602 MO8 0.9127
603 KJY 0.9127
604 AFR 0.9126
605 ASN 0.9126
606 IHB 0.9125
607 TEP 0.9125
608 SYV 0.9125
609 284 0.9125
610 BR8 0.9123
611 MAE 0.9123
612 2AC 0.9122
613 SC2 0.9122
614 5WY 0.9122
615 M1H 0.9121
616 G3E 0.9121
617 LT2 0.9120
618 QY9 0.9120
619 2AL 0.9120
620 URA 0.9120
621 VK3 0.9119
622 B24 0.9119
623 ORO 0.9118
624 VAL 0.9116
625 271 0.9116
626 0MK 0.9114
627 2YU 0.9111
628 3FA 0.9111
629 GIF 0.9110
630 7ZE 0.9110
631 CAQ 0.9109
632 23W 0.9107
633 HSO 0.9106
634 ILE 0.9104
635 N2Z 0.9103
636 45C 0.9103
637 FLM 0.9102
638 5XC 0.9101
639 QWW 0.9101
640 40O 0.9100
641 680 0.9100
642 43M 0.9100
643 HT4 0.9098
644 QDK 0.9097
645 XCZ 0.9097
646 9TY 0.9097
647 PYQ 0.9097
648 5JC 0.9096
649 XYD 0.9095
650 2A7 0.9095
651 JAB 0.9095
652 5MH 0.9095
653 35C 0.9094
654 2ZQ 0.9093
655 13X 0.9090
656 PEZ 0.9089
657 PAF 0.9088
658 SOE 0.9088
659 5UC 0.9087
660 WOO 0.9087
661 XAZ 0.9086
662 URQ 0.9085
663 2CL 0.9085
664 GCU 0.9082
665 ZBT 0.9082
666 TZL 0.9082
667 3MC 0.9082
668 FFP 0.9082
669 AL0 0.9081
670 6LW 0.9081
671 PEA 0.9081
672 RCO 0.9081
673 AGK 0.9080
674 0W8 0.9078
675 2C9 0.9078
676 MWP 0.9077
677 YSO 0.9077
678 C2A 0.9076
679 XQG 0.9075
680 FBA 0.9075
681 PA1 0.9074
682 3CH 0.9074
683 FCR 0.9072
684 LDU 0.9070
685 WOT 0.9070
686 75K 0.9069
687 DRL 0.9069
688 TC7 0.9069
689 RIP 0.9068
690 D48 0.9067
691 CYT 0.9067
692 F4Z 0.9066
693 S76 0.9065
694 CRS 0.9065
695 AAS 0.9064
696 0N7 0.9064
697 T2C 0.9064
698 DFU 0.9063
699 94B 0.9063
700 PEP 0.9063
701 F0J 0.9063
702 H76 0.9060
703 2MH 0.9060
704 AX2 0.9060
705 278 0.9059
706 8IG 0.9059
707 FBW 0.9058
708 3MB 0.9057
709 4JU 0.9057
710 QBK 0.9057
711 OXE 0.9056
712 F12 0.9055
713 RNT 0.9054
714 34D 0.9054
715 2LY 0.9054
716 4JO 0.9054
717 938 0.9053
718 86J 0.9053
719 XUL 0.9053
720 LG3 0.9052
721 LRH 0.9051
722 AW5 0.9050
723 LEU 0.9050
724 CIZ 0.9049
725 OVM 0.9048
726 1AN 0.9047
727 YAN 0.9047
728 X09 0.9047
729 3CE 0.9047
730 2MY 0.9047
731 2CH 0.9045
732 4P0 0.9044
733 069 0.9044
734 2FG 0.9043
735 HFB 0.9043
736 BEW 0.9042
737 HTS 0.9042
738 NID 0.9041
739 MZG 0.9041
740 ET2 0.9040
741 EHM 0.9039
742 SE2 0.9039
743 R8S 0.9039
744 INE 0.9038
745 DUB 0.9038
746 IHG 0.9038
747 4ME 0.9037
748 K34 0.9036
749 1DQ 0.9036
750 B60 0.9033
751 FCB 0.9032
752 THR 0.9032
753 MR1 0.9032
754 HCS 0.9031
755 3DM 0.9031
756 5JQ 0.9031
757 PEL 0.9031
758 36R 0.9029
759 3NY 0.9029
760 SKM 0.9029
761 PEQ 0.9026
762 1GN 0.9026
763 FUC 0.9026
764 0V5 0.9026
765 3AY 0.9026
766 2EC 0.9025
767 RBL 0.9025
768 QWN 0.9025
769 LG5 0.9025
770 5AN 0.9025
771 260 0.9024
772 2CM 0.9024
773 9RW 0.9023
774 RNS 0.9023
775 9X7 0.9022
776 4JJ 0.9022
777 MT5 0.9022
778 TSU 0.9021
779 GLA 0.9021
780 26D 0.9021
781 6MH 0.9019
782 4JL 0.9017
783 G4D 0.9017
784 SPA 0.9016
785 K2T 0.9016
786 2AF 0.9016
787 2HQ 0.9014
788 6UA 0.9014
789 IDH 0.9013
790 QPR 0.9013
791 TBP 0.9013
792 SMN 0.9012
793 DIE 0.9012
794 FP2 0.9012
795 7MU 0.9011
796 D1X 0.9011
797 149 0.9010
798 SAN 0.9010
799 7WG 0.9010
800 HDH 0.9009
801 4CL 0.9009
802 IV2 0.9008
803 BDF 0.9008
804 BVF 0.9008
805 JZ2 0.9006
806 EKZ 0.9006
807 PLQ 0.9006
808 L89 0.9005
809 FUF 0.9004
810 92Z 0.9004
811 GCB 0.9000
812 ARA 0.9000
813 93Q 0.9000
814 8LG 0.9000
815 KP6 0.8999
816 BEA 0.8999
817 JYD 0.8999
818 J5I 0.8999
819 3MH 0.8999
820 APZ 0.8999
821 FLA 0.8999
822 69O 0.8998
823 TLD 0.8998
824 MUA 0.8998
825 293 0.8997
826 CLW 0.8996
827 B62 0.8996
828 ZXD 0.8995
829 RPQ 0.8995
830 1P8 0.8994
831 0JD 0.8994
832 FBB 0.8994
833 OTR 0.8994
834 5RO 0.8993
835 DAS 0.8992
836 DGJ 0.8991
837 GOG 0.8991
838 HX3 0.8991
839 BP9 0.8991
840 M6W 0.8990
841 ECE 0.8988
842 0HO 0.8988
843 3R6 0.8986
844 MSN 0.8986
845 QX4 0.8985
846 4JM 0.8984
847 RUU 0.8983
848 DUC 0.8983
849 GXL 0.8982
850 IFP 0.8982
851 BCF 0.8982
852 SHG 0.8981
853 5JL 0.8981
854 AHB 0.8980
855 JZ0 0.8979
856 SRO 0.8978
857 MAQ 0.8978
858 3SL 0.8977
859 FBS 0.8976
860 FRU 0.8976
861 UAN 0.8975
862 GLF 0.8974
863 ES2 0.8973
864 4HM 0.8973
865 IUR 0.8973
866 6NT 0.8972
867 H62 0.8971
868 LNR 0.8971
869 6X8 0.8971
870 948 0.8970
871 ITN 0.8970
872 QXW 0.8968
873 HIS 0.8968
874 BBF 0.8968
875 YIO 0.8967
876 SXS 0.8967
877 1DV 0.8967
878 76X 0.8967
879 ERH 0.8967
880 GCW 0.8966
881 HQE 0.8965
882 I1N 0.8965
883 FDK 0.8965
884 FPN 0.8965
885 GRO 0.8964
886 VGD 0.8963
887 TFB 0.8963
888 5ZE 0.8963
889 MFB 0.8962
890 JA8 0.8961
891 WDL 0.8961
892 SD4 0.8960
893 LG4 0.8960
894 717 0.8959
895 M0Q 0.8958
896 V55 0.8958
897 BMA 0.8958
898 PCR 0.8958
899 4J8 0.8958
900 OW4 0.8957
901 PCI 0.8957
902 IF7 0.8956
903 YQA 0.8954
904 MWJ 0.8954
905 27Y 0.8953
906 II6 0.8953
907 12B 0.8953
908 45L 0.8952
909 NDM 0.8952
910 OEM 0.8951
911 DA1 0.8951
912 DQN 0.8951
913 FH2 0.8950
914 2ZM 0.8949
915 XIY 0.8949
916 HSM 0.8947
917 TAG 0.8947
918 Y8I 0.8946
919 5GU 0.8946
920 IPM 0.8945
921 1XX 0.8944
922 DHS 0.8943
923 0HN 0.8942
924 GLU 0.8942
925 DEE 0.8942
926 BR9 0.8942
927 TMZ 0.8941
928 5VM 0.8940
929 H8N 0.8938
930 2TQ 0.8937
931 7VJ 0.8933
932 KJU 0.8933
933 4XX 0.8933
934 IBF 0.8932
935 8EW 0.8931
936 2HU 0.8930
937 PBA 0.8929
938 4WL 0.8929
939 D07 0.8929
940 X0V 0.8926
941 DE5 0.8925
942 A09 0.8924
943 8GF 0.8924
944 FGZ 0.8923
945 DHR 0.8923
946 TBS 0.8923
947 1WC 0.8923
948 9YL 0.8922
949 4MU 0.8922
950 ABE 0.8921
951 3MG 0.8921
952 N8P 0.8921
953 4SX 0.8921
954 DTL 0.8920
955 TGX 0.8920
956 CEE 0.8920
957 D3M 0.8918
958 6ME 0.8917
959 NK2 0.8917
960 QSH 0.8917
961 F3B 0.8917
962 TTY 0.8916
963 CFF 0.8911
964 PFB 0.8910
965 ZZ8 0.8910
966 AJV 0.8909
967 C2B 0.8909
968 6KX 0.8908
969 KPL 0.8908
970 GTR 0.8908
971 AMS 0.8908
972 DQU 0.8908
973 CIG 0.8908
974 2AS 0.8907
975 2AK 0.8907
976 K17 0.8907
977 1SA 0.8906
978 PDC 0.8906
979 8WO 0.8906
980 AC5 0.8905
981 EUG 0.8903
982 4M4 0.8903
983 AIN 0.8903
984 OMD 0.8903
985 BK9 0.8902
986 4JQ 0.8902
987 0FO 0.8902
988 44V 0.8900
989 F1A 0.8900
990 IOM 0.8900
991 3AL 0.8899
992 GLT 0.8898
993 HGQ 0.8896
994 ABI 0.8894
995 H6B 0.8894
996 92P 0.8893
997 25R 0.8893
998 GUA 0.8893
999 G2H 0.8892
1000 44W 0.8892
1001 GZ3 0.8892
1002 GZQ 0.8892
1003 4FH 0.8889
1004 N3W 0.8889
1005 PXY 0.8888
1006 GJS 0.8887
1007 TM4 0.8887
1008 C2Y 0.8887
1009 PRF 0.8887
1010 AEF 0.8887
1011 AUD 0.8887
1012 4YO 0.8885
1013 SR1 0.8885
1014 QAT 0.8885
1015 XHP 0.8884
1016 F9Y 0.8883
1017 2ZX 0.8883
1018 4NM 0.8882
1019 HPY 0.8881
1020 6NI 0.8881
1021 SNE 0.8880
1022 HA7 0.8880
1023 X6X 0.8879
1024 B3R 0.8879
1025 32O 0.8878
1026 OTW 0.8878
1027 AKB 0.8878
1028 MQN 0.8875
1029 ZWZ 0.8875
1030 6JN 0.8874
1031 6VD 0.8874
1032 YHO 0.8872
1033 NTZ 0.8871
1034 ZZ3 0.8871
1035 M3T 0.8870
1036 0TU 0.8869
1037 GM7 0.8869
1038 ADA 0.8869
1039 SPV 0.8868
1040 5DI 0.8868
1041 GOX 0.8866
1042 2BG 0.8866
1043 4TU 0.8866
1044 QMP 0.8866
1045 3A9 0.8866
1046 7ME 0.8865
1047 1F1 0.8865
1048 5NI 0.8864
1049 HEW 0.8864
1050 OVP 0.8863
1051 SN4 0.8863
1052 L99 0.8863
1053 YTB 0.8863
1054 1U6 0.8862
1055 GAF 0.8861
1056 TOF 0.8861
1057 4H2 0.8859
1058 285 0.8858
1059 GIV 0.8857
1060 OHG 0.8857
1061 CXL 0.8856
1062 0LH 0.8855
1063 GZ8 0.8855
1064 ICC 0.8853
1065 4ZA 0.8852
1066 MZ0 0.8851
1067 JAW 0.8848
1068 MVN 0.8847
1069 KIB 0.8847
1070 E5X 0.8847
1071 A13 0.8846
1072 6HQ 0.8846
1073 4XV 0.8843
1074 TMT 0.8842
1075 LT8 0.8841
1076 9KT 0.8841
1077 QAS 0.8838
1078 PIM 0.8838
1079 N7P 0.8837
1080 HAI 0.8837
1081 SF9 0.8836
1082 1AL 0.8836
1083 CDV 0.8836
1084 4PW 0.8835
1085 DCO 0.8835
1086 4CH 0.8835
1087 1M2 0.8834
1088 8ZE 0.8833
1089 ONR 0.8833
1090 FA1 0.8832
1091 BCU 0.8831
1092 0F9 0.8830
1093 H3M 0.8829
1094 JFJ 0.8829
1095 0FN 0.8828
1096 MVL 0.8828
1097 GV9 0.8827
1098 MMA 0.8826
1099 SOR 0.8825
1100 NVI 0.8824
1101 ARW 0.8822
1102 SIN 0.8822
1103 2A9 0.8821
1104 GXY 0.8820
1105 RBJ 0.8820
1106 TSS 0.8819
1107 GCV 0.8819
1108 F69 0.8819
1109 DCL 0.8818
1110 CYH 0.8818
1111 AMH 0.8817
1112 NYL 0.8817
1113 ANN 0.8817
1114 KIA 0.8813
1115 SEP 0.8812
1116 23B 0.8811
1117 9FL 0.8810
1118 TCZ 0.8810
1119 B0D 0.8810
1120 6RQ 0.8808
1121 EDR 0.8804
1122 7WR 0.8803
1123 GT0 0.8800
1124 8WT 0.8800
1125 CP 0.8800
1126 DTU 0.8798
1127 F31 0.8798
1128 ENL 0.8798
1129 PNZ 0.8798
1130 BML 0.8796
1131 LDP 0.8795
1132 LKA 0.8793
1133 Q02 0.8792
1134 AKG 0.8790
1135 YRL 0.8789
1136 PHH 0.8789
1137 LFR 0.8788
1138 PKU 0.8787
1139 60Q 0.8786
1140 URS 0.8785
1141 SIF 0.8784
1142 4XS 0.8784
1143 94N 0.8784
1144 BVG 0.8783
1145 2F6 0.8782
1146 BVC 0.8780
1147 259 0.8779
1148 OA3 0.8774
1149 LI6 0.8774
1150 N2I 0.8774
1151 9PY 0.8769
1152 4FA 0.8768
1153 QIC 0.8768
1154 HIU 0.8767
1155 4HS 0.8767
1156 V1L 0.8765
1157 KG7 0.8765
1158 O2A 0.8762
1159 GIM 0.8760
1160 HX2 0.8758
1161 SEJ 0.8758
1162 PQ0 0.8757
1163 209 0.8751
1164 HHQ 0.8751
1165 HQJ 0.8748
1166 269 0.8747
1167 192 0.8746
1168 PHE 0.8745
1169 CMS 0.8743
1170 HC4 0.8743
1171 PX7 0.8743
1172 DGY 0.8742
1173 NCD 0.8740
1174 4JN 0.8739
1175 HVQ 0.8739
1176 JXN 0.8737
1177 BPN 0.8736
1178 MLA 0.8735
1179 FUM 0.8731
1180 IPH 0.8729
1181 A29 0.8727
1182 AEZ 0.8727
1183 449 0.8727
1184 H33 0.8726
1185 2IM 0.8726
1186 I4B 0.8725
1187 JDN 0.8725
1188 7D2 0.8721
1189 VOH 0.8720
1190 93B 0.8719
1191 HTP 0.8717
1192 8K2 0.8716
1193 MBG 0.8716
1194 N8Y 0.8715
1195 EV0 0.8715
1196 KTA 0.8714
1197 SFU 0.8713
1198 CSS 0.8712
1199 MZW 0.8711
1200 9X6 0.8711
1201 HQ9 0.8707
1202 4BZ 0.8706
1203 R9Y 0.8705
1204 JND 0.8703
1205 GLN 0.8701
1206 FBG 0.8701
1207 CWJ 0.8700
1208 FA3 0.8699
1209 FBU 0.8699
1210 JKZ 0.8697
1211 A65 0.8694
1212 K8X 0.8694
1213 PIY 0.8694
1214 R67 0.8694
1215 GCO 0.8693
1216 BSP 0.8692
1217 HHH 0.8691
1218 15E 0.8690
1219 DQA 0.8689
1220 UFV 0.8687
1221 GTL 0.8685
1222 NVU 0.8684
1223 GXE 0.8683
1224 MLI 0.8681
1225 LLQ 0.8679
1226 A2Q 0.8677
1227 TYL 0.8677
1228 KFH 0.8677
1229 3PY 0.8675
1230 IZC 0.8675
1231 AS3 0.8674
1232 GLL 0.8673
1233 BNF 0.8673
1234 7B3 0.8672
1235 DSN 0.8671
1236 APG 0.8667
1237 PD2 0.8666
1238 2FQ 0.8665
1239 42J 0.8665
1240 2KT 0.8664
1241 ZVO 0.8663
1242 K6X 0.8662
1243 2FT 0.8660
1244 DMG 0.8657
1245 MJ2 0.8654
1246 DPZ 0.8653
1247 091 0.8651
1248 49O 0.8650
1249 6TZ 0.8646
1250 MBN 0.8645
1251 9CA 0.8644
1252 3V4 0.8643
1253 CLZ 0.8641
1254 1IT 0.8641
1255 8CL 0.8640
1256 7MX 0.8638
1257 C5J 0.8638
1258 2AP 0.8635
1259 CGB 0.8633
1260 24T 0.8633
1261 9R5 0.8631
1262 HRZ 0.8630
1263 DNF 0.8630
1264 IOL 0.8629
1265 3AP 0.8628
1266 FSW 0.8628
1267 FUD 0.8626
1268 HHT 0.8626
1269 L5V 0.8625
1270 E60 0.8624
1271 3BU 0.8623
1272 HVK 0.8621
1273 MMZ 0.8620
1274 SER 0.8619
1275 CEJ 0.8617
1276 264 0.8615
1277 MFU 0.8614
1278 HNQ 0.8613
1279 MB3 0.8612
1280 4AP 0.8611
1281 2EZ 0.8611
1282 TFU 0.8610
1283 GP9 0.8610
1284 NK1 0.8604
1285 13P 0.8603
1286 KSW 0.8602
1287 PEY 0.8601
1288 DTI 0.8596
1289 DCY 0.8594
1290 9PO 0.8592
1291 FLC 0.8589
1292 BZ2 0.8588
1293 5NE 0.8587
1294 AMG 0.8584
1295 GVG 0.8582
1296 GOJ 0.8581
1297 Q7A 0.8579
1298 XRG 0.8578
1299 JTH 0.8578
1300 KDV 0.8574
1301 LGA 0.8570
1302 TTO 0.8570
1303 CIT 0.8569
1304 K32 0.8554
1305 HHN 0.8553
1306 4SD 0.8550
1307 E3D 0.8542
1308 EJZ 0.8540
1309 RUY 0.8533
1310 25T 0.8522
1311 HDA 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CR4; Ligand: PNT; 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: 3cr4.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3CR4; Ligand: PNT; 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: 3cr4.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3CR4; Ligand: PNT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3cr4.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3CR4; Ligand: PNT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3cr4.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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