Receptor
PDB id Resolution Class Description Source Keywords
5H1U 1.9 Å EC: 6.3.2.- COMPLEX STRUCTURE OF TRIM24 PHD-BROMODOMAIN AND INHIBITOR 2 HOMO SAPIENS TRANSCRIPTION TRANSCRIPTION INHIBITOR TRANSCRIPTION-TRANSCRINHIBITOR COMPLEX
Ref.: THE POLAR WARHEAD OF A TRIM24 BROMODOMAIN INHIBITOR REARRANGES A WATER-MEDIATED INTERACTION NETWORK FEBS J. V. 284 1082 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6KT A:1101;
D:1101;
C:1101;
B:1101;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 63 uM
193.226 C8 H7 N3 O S c1cc2...
ZN C:1102;
C:1103;
A:1103;
B:1102;
A:1102;
D:1102;
D:1103;
B:1103;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
DMS D:1104;
C:1104;
B:1104;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YC9 1.82 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF TRIM24 PHD-BROMODOMAIN COMPLEXED WITH N (DIMETHYLAMINO)BUTOXY]-5-PROPOXYPHENOXY}-1,3-DIMETHYL-2-OXOD IHYDRO-1H-1,3-BENZODIAZOL-5-YL)-3,4-DIMETHOXYBENZENE-1-SUL(8 I) HOMO SAPIENS CENTER FOR BIOMOLECULAR STRUCTURE AND FUNCTION BROMODOMAININHIBITOR TRANSCRIPTION-TRANSCRIPTION INHIBITOR COMPLEX
Ref.: STRUCTURE-GUIDED DESIGN OF IACS-9571, A SELECTIVE HIGH-AFFINITY DUAL TRIM24-BRPF1 BROMODOMAIN INHIBIT J.MED.CHEM. V. 59 1440 2016
Members (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 5H1V Kd = 34 uM 7FU C8 H9 N5 O S c1cc2c(cc1....
2 5H1U Kd = 63 uM 6KT C8 H7 N3 O S c1cc2c(cc1....
3 4YBM ic50 = 0.14 uM 4BJ C30 H29 N3 O7 S CN1c2cc(c(....
4 4YAX ic50 = 1.5 uM 4AE C22 H21 N3 O5 S CN1c2cc(c(....
5 3O36 - GLY ALA ALY ARG HIS ARG n/a n/a
6 4YBS ic50 = 0.057 uM 4BK C24 H29 N5 O5 S Cc1nc(cn1C....
7 3O37 - ALA ARG THR LYS GLN THR ALA ARG LYS SER n/a n/a
8 4YC9 Kd = 1.3 nM 4C1 C32 H42 N4 O8 S CCCOc1cc(c....
9 3O35 - LYS ALA ALA ARG ALY SER ALA PRO ALA n/a n/a
10 4YAT ic50 = 9.3 uM 4A8 C16 H17 N3 O4 S CN1c2ccc(c....
11 4YAB ic50 = 8.5 uM 4CN C13 H12 N2 O S Cc1nc(cs1)....
12 4YBT ic50 = 0.1 uM 4BV C24 H27 N5 O6 S Cn1cc(nc1)....
13 4YAD ic50 = 2.5 uM 4A7 C18 H20 N2 O5 S CN1c2ccc(c....
14 5H1T Kd = 0.16 mM 7FF C11 H14 N2 O2 COC(=O)N1C....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 5H1V Kd = 34 uM 7FU C8 H9 N5 O S c1cc2c(cc1....
2 5H1U Kd = 63 uM 6KT C8 H7 N3 O S c1cc2c(cc1....
3 4YBM ic50 = 0.14 uM 4BJ C30 H29 N3 O7 S CN1c2cc(c(....
4 4YAX ic50 = 1.5 uM 4AE C22 H21 N3 O5 S CN1c2cc(c(....
5 3O36 - GLY ALA ALY ARG HIS ARG n/a n/a
6 4YBS ic50 = 0.057 uM 4BK C24 H29 N5 O5 S Cc1nc(cn1C....
7 3O37 - ALA ARG THR LYS GLN THR ALA ARG LYS SER n/a n/a
8 4YC9 Kd = 1.3 nM 4C1 C32 H42 N4 O8 S CCCOc1cc(c....
9 3O35 - LYS ALA ALA ARG ALY SER ALA PRO ALA n/a n/a
10 4YAT ic50 = 9.3 uM 4A8 C16 H17 N3 O4 S CN1c2ccc(c....
11 4YAB ic50 = 8.5 uM 4CN C13 H12 N2 O S Cc1nc(cs1)....
12 4YBT ic50 = 0.1 uM 4BV C24 H27 N5 O6 S Cn1cc(nc1)....
13 4YAD ic50 = 2.5 uM 4A7 C18 H20 N2 O5 S CN1c2ccc(c....
14 5H1T Kd = 0.16 mM 7FF C11 H14 N2 O2 COC(=O)N1C....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 5H1V Kd = 34 uM 7FU C8 H9 N5 O S c1cc2c(cc1....
2 5H1U Kd = 63 uM 6KT C8 H7 N3 O S c1cc2c(cc1....
3 4YBM ic50 = 0.14 uM 4BJ C30 H29 N3 O7 S CN1c2cc(c(....
4 4YAX ic50 = 1.5 uM 4AE C22 H21 N3 O5 S CN1c2cc(c(....
5 3O36 - GLY ALA ALY ARG HIS ARG n/a n/a
6 4YBS ic50 = 0.057 uM 4BK C24 H29 N5 O5 S Cc1nc(cn1C....
7 3O37 - ALA ARG THR LYS GLN THR ALA ARG LYS SER n/a n/a
8 4YC9 Kd = 1.3 nM 4C1 C32 H42 N4 O8 S CCCOc1cc(c....
9 3O35 - LYS ALA ALA ARG ALY SER ALA PRO ALA n/a n/a
10 4YAT ic50 = 9.3 uM 4A8 C16 H17 N3 O4 S CN1c2ccc(c....
11 4YAB ic50 = 8.5 uM 4CN C13 H12 N2 O S Cc1nc(cs1)....
12 4YBT ic50 = 0.1 uM 4BV C24 H27 N5 O6 S Cn1cc(nc1)....
13 4YAD ic50 = 2.5 uM 4A7 C18 H20 N2 O5 S CN1c2ccc(c....
14 5H1T Kd = 0.16 mM 7FF C11 H14 N2 O2 COC(=O)N1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 6KT; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 6KT 1 1
2 EVW 0.508197 0.944444
3 EWT 0.492308 0.73913
4 S0E 0.48 0.736842
5 K2T 0.469388 0.8
6 FBB 0.469388 0.736842
7 94W 0.442308 0.707317
8 657 0.410714 0.659091
9 EUH 0.410714 0.682927
Similar Ligands (3D)
Ligand no: 1; Ligand: 6KT; Similar ligands found: 1123
No: Ligand Similarity coefficient
1 CWJ 0.9810
2 E1T 0.9799
3 0JD 0.9797
4 9ZE 0.9776
5 SLS 0.9771
6 4BL 0.9747
7 9R5 0.9737
8 15N 0.9736
9 3A9 0.9735
10 4I8 0.9726
11 0HO 0.9722
12 1F1 0.9719
13 5NI 0.9718
14 6NI 0.9713
15 2HU 0.9713
16 JAW 0.9712
17 SNO 0.9710
18 A7H 0.9708
19 0HN 0.9706
20 JB8 0.9698
21 5LA 0.9696
22 3ZB 0.9694
23 JDN 0.9693
24 UNJ 0.9693
25 2ZM 0.9692
26 4BY 0.9690
27 EUE 0.9687
28 6NT 0.9677
29 ABI 0.9661
30 A7N 0.9650
31 ANN 0.9649
32 5TY 0.9646
33 P9E 0.9643
34 3R4 0.9635
35 3NY 0.9632
36 GO2 0.9631
37 7O4 0.9611
38 DRG 0.9606
39 ESX 0.9605
40 HNT 0.9589
41 ESP 0.9582
42 RNO 0.9582
43 ST3 0.9581
44 1HN 0.9576
45 GJP 0.9571
46 X0U 0.9570
47 4TU 0.9567
48 MSR 0.9563
49 9CA 0.9561
50 BZJ 0.9557
51 M78 0.9556
52 ST2 0.9554
53 8ZE 0.9552
54 9FL 0.9550
55 1IT 0.9549
56 4RU 0.9547
57 7FU 0.9546
58 HA5 0.9543
59 BZ2 0.9540
60 428 0.9539
61 AN3 0.9535
62 ICB 0.9532
63 N1E 0.9530
64 SNU 0.9530
65 AES 0.9525
66 4BZ 0.9523
67 Y3L 0.9513
68 BQ2 0.9511
69 C1M 0.9504
70 SKF 0.9503
71 7MW 0.9499
72 IAC 0.9493
73 TYL 0.9488
74 N2I 0.9487
75 OQC 0.9483
76 363 0.9481
77 MAJ 0.9479
78 2K8 0.9478
79 4NB 0.9477
80 OW7 0.9476
81 6FB 0.9476
82 TZF 0.9476
83 RD4 0.9474
84 BZ3 0.9473
85 PNZ 0.9473
86 C2Y 0.9472
87 2HC 0.9471
88 CPZ 0.9471
89 JBZ 0.9469
90 LQ2 0.9469
91 NAG 0.9468
92 KYA 0.9467
93 27B 0.9463
94 KDV 0.9461
95 8XL 0.9456
96 E5X 0.9454
97 ZZA 0.9452
98 0FK 0.9449
99 K4V 0.9447
100 8HC 0.9446
101 A5E 0.9446
102 3VX 0.9446
103 92P 0.9446
104 12T 0.9443
105 AZM 0.9442
106 9FE 0.9441
107 5XC 0.9441
108 PEY 0.9440
109 G14 0.9433
110 AMH 0.9432
111 5OB 0.9426
112 N91 0.9421
113 3VQ 0.9421
114 MQN 0.9420
115 EYV 0.9419
116 V1T 0.9419
117 3W8 0.9419
118 AJ1 0.9414
119 AOT 0.9408
120 PPY 0.9408
121 CH9 0.9405
122 C82 0.9404
123 F4K 0.9402
124 HHS 0.9400
125 HDH 0.9399
126 2BG 0.9397
127 ODK 0.9396
128 4WL 0.9393
129 36Y 0.9392
130 F4E 0.9392
131 F9Y 0.9388
132 ET2 0.9387
133 68A 0.9386
134 2QC 0.9386
135 TSR 0.9383
136 K97 0.9383
137 8NB 0.9380
138 ANF 0.9380
139 DVQ 0.9376
140 92G 0.9373
141 4JQ 0.9371
142 2O8 0.9369
143 4NM 0.9365
144 J6W 0.9365
145 4LW 0.9365
146 SN4 0.9363
147 VGD 0.9363
148 AA 0.9360
149 6FZ 0.9357
150 795 0.9355
151 CLW 0.9355
152 YZM 0.9355
153 30G 0.9353
154 3VS 0.9353
155 ATX 0.9352
156 L14 0.9351
157 2FX 0.9347
158 N4E 0.9345
159 ESI 0.9345
160 W81 0.9343
161 5VM 0.9340
162 36R 0.9340
163 PJW 0.9340
164 CFA 0.9339
165 PD2 0.9336
166 QIV 0.9336
167 XCG 0.9335
168 ES2 0.9333
169 I3E 0.9333
170 HC4 0.9333
171 KTW 0.9333
172 RA7 0.9328
173 0TU 0.9327
174 MS9 0.9323
175 THA 0.9322
176 JAH 0.9321
177 PH2 0.9319
178 E7S 0.9318
179 15E 0.9317
180 2LY 0.9316
181 4MB 0.9315
182 1L5 0.9312
183 259 0.9310
184 9NB 0.9309
185 5GV 0.9308
186 MD6 0.9307
187 ZEC 0.9305
188 TMG 0.9304
189 4JE 0.9303
190 8WO 0.9302
191 1P8 0.9302
192 PUE 0.9298
193 ODO 0.9298
194 2FY 0.9298
195 EVF 0.9298
196 4ZA 0.9295
197 M5H 0.9295
198 2KA 0.9294
199 GCO 0.9292
200 1A7 0.9292
201 2O6 0.9290
202 BIK 0.9289
203 BPN 0.9289
204 5GT 0.9287
205 E3X 0.9284
206 ZYR 0.9283
207 KMY 0.9283
208 4JC 0.9281
209 P81 0.9279
210 XIY 0.9279
211 RKV 0.9279
212 ICO 0.9279
213 PH3 0.9278
214 VC3 0.9278
215 4P5 0.9276
216 AMR 0.9275
217 LPK 0.9274
218 FCD 0.9271
219 4NS 0.9270
220 4YO 0.9270
221 MR1 0.9269
222 5H6 0.9266
223 4NP 0.9263
224 1Z6 0.9263
225 5VL 0.9263
226 8G0 0.9262
227 1QP 0.9261
228 2HQ 0.9260
229 HPP 0.9260
230 JA5 0.9259
231 36M 0.9257
232 IOS 0.9255
233 5RN 0.9255
234 61M 0.9252
235 86L 0.9251
236 3QV 0.9249
237 HHR 0.9249
238 3MB 0.9249
239 OVM 0.9248
240 KLE 0.9247
241 6QF 0.9246
242 UA5 0.9245
243 J9N 0.9244
244 EN1 0.9243
245 PPT 0.9240
246 M2K 0.9240
247 A29 0.9239
248 GDL 0.9238
249 N8Y 0.9236
250 H5B 0.9235
251 3AE 0.9235
252 KTJ 0.9234
253 DNA 0.9233
254 DNF 0.9233
255 JA8 0.9232
256 IWT 0.9230
257 FBF 0.9229
258 JMG 0.9229
259 XDK 0.9229
260 36E 0.9227
261 BP7 0.9227
262 J9Q 0.9226
263 88L 0.9224
264 JCZ 0.9224
265 LR5 0.9222
266 NDG 0.9222
267 PRL 0.9222
268 HIS 0.9222
269 PDC 0.9221
270 X48 0.9219
271 GVY 0.9218
272 86J 0.9216
273 HRM 0.9216
274 TGX 0.9215
275 ITE 0.9215
276 S0W 0.9214
277 1M2 0.9213
278 M4S 0.9212
279 HBO 0.9210
280 ANC 0.9208
281 N0Z 0.9208
282 6RQ 0.9206
283 9UL 0.9206
284 SSC 0.9205
285 4FS 0.9202
286 FDR 0.9198
287 STX 0.9198
288 HX4 0.9197
289 03V 0.9196
290 K3D 0.9195
291 HHI 0.9195
292 54Z 0.9194
293 CKA 0.9193
294 492 0.9193
295 0NX 0.9192
296 B56 0.9192
297 KJU 0.9192
298 4HB 0.9192
299 FZM 0.9191
300 0BP 0.9190
301 0F9 0.9190
302 M4E 0.9189
303 ES5 0.9187
304 1FE 0.9186
305 JB5 0.9185
306 QBK 0.9182
307 XAZ 0.9181
308 TXW 0.9180
309 DEW 0.9179
310 TT4 0.9179
311 LGT 0.9177
312 LEL 0.9177
313 TCA 0.9177
314 4KL 0.9176
315 2AQ 0.9175
316 80G 0.9175
317 44W 0.9174
318 FQX 0.9174
319 5OO 0.9173
320 S7J 0.9173
321 TCR 0.9169
322 8NX 0.9168
323 K82 0.9167
324 EE8 0.9166
325 FHC 0.9166
326 IV2 0.9165
327 TSS 0.9165
328 OVP 0.9164
329 LZ5 0.9164
330 C53 0.9163
331 BHA 0.9160
332 1VK 0.9160
333 5RO 0.9159
334 L03 0.9158
335 L22 0.9158
336 GNM 0.9158
337 NFM 0.9157
338 ENO 0.9157
339 OTR 0.9157
340 K7H 0.9156
341 RSV 0.9154
342 PNP 0.9154
343 H42 0.9153
344 CSN 0.9152
345 OA1 0.9149
346 COU 0.9149
347 EA1 0.9149
348 L99 0.9148
349 4NZ 0.9145
350 BNL 0.9145
351 97T 0.9144
352 OCH 0.9143
353 HQJ 0.9142
354 4M0 0.9139
355 A5H 0.9138
356 B62 0.9137
357 JG8 0.9137
358 JF1 0.9137
359 4XF 0.9136
360 FA0 0.9136
361 I3A 0.9134
362 344 0.9133
363 3TC 0.9133
364 GWM 0.9131
365 SWX 0.9130
366 3W3 0.9130
367 3W6 0.9130
368 A98 0.9130
369 5GU 0.9129
370 4FA 0.9128
371 BNX 0.9127
372 5XB 0.9127
373 ALE 0.9126
374 N2M 0.9125
375 JF2 0.9123
376 NPX 0.9123
377 JP2 0.9122
378 YRL 0.9122
379 DJN 0.9120
380 BBK 0.9118
381 INO 0.9118
382 FUD 0.9117
383 BPY 0.9117
384 AHN 0.9115
385 TAG 0.9114
386 7VP 0.9113
387 FF2 0.9112
388 HJ7 0.9112
389 BK9 0.9112
390 6VD 0.9112
391 DQU 0.9111
392 TYR 0.9110
393 KBZ 0.9109
394 EWG 0.9108
395 OW4 0.9106
396 NDD 0.9106
397 4AA 0.9106
398 DHR 0.9104
399 DZA 0.9102
400 DDU 0.9100
401 PRF 0.9098
402 DOB 0.9098
403 VM1 0.9097
404 78Y 0.9097
405 0UL 0.9097
406 LL1 0.9096
407 5F5 0.9095
408 F31 0.9095
409 OTW 0.9094
410 6ME 0.9093
411 AM4 0.9093
412 F02 0.9091
413 2UZ 0.9091
414 7MX 0.9091
415 FHB 0.9090
416 56D 0.9090
417 2D2 0.9090
418 B1J 0.9090
419 6TZ 0.9089
420 3J8 0.9088
421 CXH 0.9086
422 75K 0.9086
423 DHB 0.9085
424 BL0 0.9084
425 549 0.9083
426 4A3 0.9082
427 PO6 0.9082
428 D3G 0.9081
429 NNO 0.9080
430 MP5 0.9079
431 S60 0.9078
432 44V 0.9077
433 4V2 0.9077
434 EXD 0.9077
435 5CU 0.9077
436 XHP 0.9076
437 MZM 0.9076
438 JLZ 0.9076
439 NGA 0.9075
440 BPU 0.9075
441 5E5 0.9075
442 2GQ 0.9074
443 5JL 0.9074
444 3DM 0.9074
445 4CM 0.9073
446 BGU 0.9073
447 NID 0.9073
448 R20 0.9073
449 S7A 0.9072
450 QX4 0.9070
451 7MU 0.9070
452 5JQ 0.9070
453 ONR 0.9070
454 BTY 0.9068
455 7W1 0.9068
456 R9Y 0.9066
457 173 0.9065
458 8W9 0.9064
459 M3H 0.9064
460 INE 0.9064
461 K80 0.9064
462 3XR 0.9062
463 52C 0.9061
464 D48 0.9060
465 ZYX 0.9060
466 CHB 0.9060
467 8TX 0.9059
468 A2G 0.9058
469 P9P 0.9058
470 MVN 0.9058
471 TTL 0.9057
472 717 0.9057
473 DHI 0.9056
474 2JX 0.9054
475 LNR 0.9054
476 1KP 0.9051
477 5NU 0.9051
478 L5V 0.9051
479 4NC 0.9051
480 2HO 0.9050
481 ZHA 0.9049
482 B55 0.9049
483 M45 0.9049
484 5WZ 0.9048
485 AJG 0.9047
486 LDP 0.9047
487 5QY 0.9046
488 URC 0.9045
489 0FO 0.9044
490 2A9 0.9043
491 ZSP 0.9043
492 PIM 0.9043
493 4AB 0.9042
494 0FR 0.9042
495 HNL 0.9042
496 H4B 0.9041
497 AKG 0.9041
498 ABF 0.9037
499 6ZX 0.9037
500 6MW 0.9037
501 S0D 0.9037
502 9AP 0.9036
503 PQK 0.9034
504 5VU 0.9033
505 RYV 0.9033
506 8D6 0.9030
507 EV3 0.9029
508 XIZ 0.9029
509 6SD 0.9028
510 BEA 0.9028
511 7AP 0.9027
512 JAE 0.9027
513 3PF 0.9027
514 4VY 0.9026
515 PIY 0.9026
516 2F6 0.9023
517 J5I 0.9023
518 QBP 0.9023
519 VFG 0.9023
520 CK2 0.9021
521 4Z4 0.9021
522 5TZ 0.9019
523 PQ0 0.9018
524 4JT 0.9017
525 H4E 0.9014
526 0K7 0.9013
527 4AU 0.9013
528 IHB 0.9013
529 93K 0.9012
530 GLO 0.9011
531 G3E 0.9011
532 IPB 0.9011
533 SRO 0.9010
534 LDR 0.9010
535 Z13 0.9008
536 MPV 0.9008
537 LO1 0.9008
538 BVS 0.9007
539 ARP 0.9006
540 MYJ 0.9006
541 DE5 0.9005
542 J38 0.9004
543 HCI 0.9004
544 LR8 0.9004
545 RM1 0.9003
546 AJY 0.9002
547 XX2 0.9001
548 L1O 0.9000
549 M6Z 0.9000
550 QSB 0.9000
551 4LV 0.8998
552 OHJ 0.8997
553 2P3 0.8996
554 KJH 0.8996
555 EV2 0.8996
556 8CC 0.8995
557 NLA 0.8994
558 APS 0.8993
559 0F3 0.8993
560 MS0 0.8993
561 NK5 0.8992
562 E7Z 0.8991
563 2FQ 0.8991
564 SE2 0.8991
565 NFA 0.8991
566 R2P 0.8990
567 PRO GLY 0.8990
568 VNL 0.8990
569 HBI 0.8990
570 8U3 0.8989
571 GZ2 0.8989
572 L1T 0.8989
573 YE6 0.8989
574 92K 0.8989
575 6P3 0.8989
576 3HM 0.8988
577 IQ5 0.8985
578 8WT 0.8984
579 PHB 0.8981
580 OGA 0.8981
581 PZM 0.8980
582 KLS 0.8979
583 YZ9 0.8977
584 QUS 0.8977
585 9TW 0.8976
586 BIO 0.8975
587 E1K 0.8973
588 5QX 0.8972
589 535 0.8972
590 TWO 0.8971
591 PFL 0.8970
592 DHC 0.8970
593 SG2 0.8969
594 TYC 0.8969
595 AEF 0.8969
596 S2G 0.8969
597 3R6 0.8968
598 39O 0.8966
599 TIU 0.8966
600 PMP 0.8964
601 2PV 0.8964
602 9FH 0.8963
603 12Q 0.8963
604 IOP 0.8962
605 DTY 0.8962
606 HBD 0.8961
607 PAB 0.8960
608 0W1 0.8958
609 CLZ 0.8958
610 174 0.8958
611 4FF 0.8957
612 XI7 0.8956
613 X0W 0.8956
614 NPO 0.8956
615 9BF 0.8953
616 NDH 0.8953
617 SW7 0.8953
618 2AK 0.8952
619 PFF 0.8952
620 0FN 0.8951
621 069 0.8951
622 SKA 0.8950
623 H2B 0.8950
624 1AL 0.8950
625 826 0.8949
626 GVG 0.8949
627 D2G 0.8947
628 UAN 0.8947
629 A6W 0.8947
630 SOR 0.8947
631 PBZ 0.8947
632 4BF 0.8945
633 11S 0.8945
634 54X 0.8944
635 6HO 0.8943
636 P72 0.8943
637 Z82 0.8942
638 S7S 0.8942
639 HQT 0.8939
640 PQM 0.8939
641 5RP 0.8937
642 4MA 0.8937
643 3VW 0.8937
644 QMS 0.8936
645 DHY 0.8935
646 5MI 0.8932
647 BZQ 0.8932
648 2BX 0.8931
649 HHH 0.8931
650 GOJ 0.8931
651 KF5 0.8931
652 27K 0.8930
653 BHQ 0.8930
654 49P 0.8930
655 MUA 0.8929
656 FTV 0.8928
657 MEW 0.8928
658 8IG 0.8928
659 AEG 0.8927
660 GF4 0.8927
661 P80 0.8925
662 NPS 0.8924
663 SYV 0.8923
664 BA5 0.8922
665 8MO 0.8922
666 833 0.8921
667 46P 0.8918
668 1Y6 0.8918
669 BDP 0.8915
670 42A 0.8914
671 7ME 0.8913
672 Z5P 0.8911
673 KDG 0.8911
674 TRP 0.8909
675 BGC 0.8908
676 XQ0 0.8907
677 ES9 0.8906
678 14O 0.8906
679 5H1 0.8905
680 28N 0.8905
681 2K4 0.8904
682 J1K 0.8904
683 BHS 0.8903
684 2HG 0.8902
685 H4N 0.8901
686 I2E 0.8900
687 VXX 0.8900
688 F60 0.8899
689 KP2 0.8898
690 CTL 0.8897
691 M4N 0.8897
692 TTY 0.8896
693 M5K 0.8896
694 KUF 0.8895
695 4FH 0.8895
696 P7Y 0.8894
697 FK1 0.8894
698 ISZ 0.8894
699 U7E 0.8893
700 YPN 0.8890
701 AAN 0.8890
702 0N7 0.8890
703 F2W 0.8889
704 2PK 0.8889
705 UFO 0.8887
706 5TT 0.8887
707 SKM 0.8883
708 TID 0.8881
709 AQO 0.8881
710 YI6 0.8880
711 G12 0.8879
712 II4 0.8879
713 YE7 0.8879
714 PIQ 0.8878
715 DPT 0.8878
716 PLP 0.8877
717 4FE 0.8877
718 6AI 0.8876
719 5F8 0.8876
720 N3W 0.8875
721 LT2 0.8875
722 AC6 0.8875
723 M1Q 0.8875
724 MPK 0.8872
725 ABV 0.8870
726 K25 0.8869
727 GDE 0.8869
728 GO8 0.8868
729 4SX 0.8867
730 WSD 0.8865
731 WV7 0.8864
732 4MU 0.8863
733 NCT 0.8863
734 CWS 0.8862
735 DEZ 0.8862
736 CS2 0.8861
737 5MB 0.8860
738 LZM 0.8860
739 JRB 0.8860
740 Q24 0.8859
741 PHU 0.8859
742 PBA 0.8858
743 54E 0.8858
744 N9J 0.8857
745 4HC 0.8855
746 5O6 0.8854
747 5WV 0.8852
748 NGT 0.8850
749 AJ2 0.8850
750 PHE 0.8847
751 BZX 0.8847
752 XRG 0.8847
753 B5D 0.8846
754 SJK 0.8846
755 3SU 0.8845
756 AMS 0.8845
757 L15 0.8845
758 8H8 0.8844
759 QBM 0.8844
760 MTL 0.8843
761 GB4 0.8841
762 K68 0.8840
763 J9W 0.8840
764 HQD 0.8839
765 K3Q 0.8838
766 NF3 0.8838
767 5B2 0.8837
768 Q02 0.8837
769 ZYQ 0.8836
770 PQS 0.8835
771 2MI 0.8835
772 2JK 0.8835
773 PE0 0.8833
774 DNC 0.8832
775 A7W 0.8832
776 ASC 0.8831
777 8NY 0.8829
778 6DP 0.8829
779 SHA 0.8828
780 X11 0.8828
781 CFI 0.8828
782 NPA 0.8826
783 5SJ 0.8825
784 AZ9 0.8825
785 AJV 0.8824
786 S98 0.8824
787 PRZ 0.8824
788 URO 0.8823
789 E4P 0.8821
790 DAH 0.8821
791 DUR 0.8821
792 NY4 0.8820
793 5FL 0.8820
794 A9B 0.8819
795 2WU 0.8819
796 HMH 0.8819
797 6FG 0.8819
798 FMQ 0.8818
799 1P7 0.8817
800 BNF 0.8816
801 THU 0.8816
802 GB5 0.8815
803 DK1 0.8814
804 5DL 0.8814
805 X0V 0.8814
806 5LD 0.8812
807 0P6 0.8812
808 EZL 0.8811
809 ROI 0.8810
810 AZ8 0.8809
811 B21 0.8808
812 2J1 0.8808
813 5SP 0.8808
814 4ME 0.8808
815 4HM 0.8807
816 IS2 0.8807
817 5NE 0.8807
818 AP4 0.8806
819 Q71 0.8806
820 DHK 0.8806
821 GTR 0.8806
822 JND 0.8804
823 HWD 0.8803
824 BZE 0.8803
825 0SY 0.8802
826 8OZ 0.8802
827 LVD 0.8800
828 QPR 0.8800
829 QSH 0.8800
830 E0O 0.8800
831 TSU 0.8800
832 EQW 0.8799
833 PKU 0.8799
834 AX7 0.8799
835 IFP 0.8798
836 FLC 0.8797
837 42J 0.8797
838 OOG 0.8796
839 BVA 0.8796
840 KW8 0.8794
841 VUP 0.8794
842 TJM 0.8794
843 JTA 0.8794
844 NIZ 0.8794
845 5V7 0.8794
846 JGB 0.8793
847 1DR 0.8793
848 DIN 0.8791
849 FBS 0.8789
850 N7I 0.8789
851 6L6 0.8786
852 60L 0.8785
853 K48 0.8782
854 1EB 0.8782
855 5B1 0.8782
856 R1P 0.8781
857 Z21 0.8781
858 8CM 0.8781
859 MRW 0.8780
860 HFA 0.8780
861 M0W 0.8780
862 BHO 0.8780
863 GNV 0.8779
864 ZRK 0.8779
865 K34 0.8779
866 0DF 0.8778
867 PAC 0.8777
868 GXY 0.8776
869 NOJ 0.8775
870 EKZ 0.8774
871 FHV 0.8772
872 YIE 0.8771
873 9KZ 0.8769
874 FYU 0.8769
875 J9T 0.8768
876 Y4L 0.8766
877 DRL 0.8766
878 CIT 0.8765
879 GLC 0.8765
880 HNH 0.8764
881 GAE 0.8763
882 0GZ 0.8763
883 MQB 0.8761
884 HLD 0.8760
885 1WC 0.8759
886 MKN 0.8758
887 A5P 0.8757
888 CIY 0.8757
889 ERZ 0.8757
890 GCU 0.8755
891 FGZ 0.8754
892 270 0.8754
893 HBA 0.8753
894 67N 0.8751
895 HX3 0.8750
896 2AL 0.8750
897 A5Q 0.8749
898 NVU 0.8748
899 AWE 0.8747
900 HSO 0.8745
901 GLU 0.8745
902 AY4 0.8745
903 EUG 0.8744
904 0XT 0.8743
905 67X 0.8742
906 JTH 0.8742
907 KYN 0.8741
908 P92 0.8741
909 5NS 0.8739
910 PXL 0.8739
911 LJ3 0.8737
912 50C 0.8736
913 VK3 0.8735
914 SOJ 0.8735
915 GCS 0.8734
916 LFQ 0.8733
917 PQZ 0.8733
918 DX3 0.8732
919 22L 0.8731
920 NSP 0.8731
921 0LO 0.8730
922 LZ2 0.8730
923 3ID 0.8730
924 4XV 0.8729
925 YH7 0.8729
926 2GS 0.8728
927 7W4 0.8728
928 4XS 0.8728
929 QBS 0.8725
930 DGN 0.8723
931 4VP 0.8722
932 M6N 0.8721
933 K44 0.8720
934 DMD 0.8720
935 3Z8 0.8718
936 GZL 0.8718
937 FCR 0.8716
938 RVE 0.8715
939 ZME 0.8714
940 F12 0.8713
941 IPO 0.8712
942 SYA 0.8712
943 G3F 0.8710
944 152 0.8710
945 7VS 0.8709
946 7QD 0.8709
947 DPN 0.8709
948 CHQ 0.8709
949 B57 0.8708
950 DCZ 0.8707
951 CX6 0.8707
952 4CN 0.8706
953 RXA 0.8706
954 20J 0.8706
955 SAN 0.8705
956 NQ 0.8705
957 AAS 0.8705
958 LIP 0.8703
959 JU2 0.8702
960 ES7 0.8702
961 4J8 0.8701
962 SME 0.8701
963 RUY 0.8699
964 M1A 0.8699
965 TZM 0.8698
966 091 0.8696
967 M1H 0.8696
968 IQZ 0.8695
969 MXD 0.8694
970 7WR 0.8694
971 6ZW 0.8693
972 M1E 0.8693
973 7I2 0.8692
974 209 0.8691
975 5WY 0.8691
976 D9Z 0.8690
977 DA4 0.8689
978 7EH 0.8688
979 QXW 0.8686
980 F40 0.8685
981 1PS 0.8685
982 THM 0.8684
983 6C4 0.8684
984 YTX 0.8682
985 FBM 0.8682
986 ISN 0.8679
987 MUR 0.8679
988 268 0.8677
989 K37 0.8676
990 H33 0.8676
991 KIB 0.8675
992 F9P 0.8674
993 1XS 0.8674
994 WS7 0.8674
995 G6P 0.8673
996 9FG 0.8672
997 ENW 0.8672
998 D1G 0.8671
999 6R8 0.8670
1000 QWN 0.8669
1001 6C8 0.8669
1002 LZB 0.8666
1003 M0Q 0.8663
1004 GLN 0.8663
1005 7ZE 0.8661
1006 4JM 0.8661
1007 GAL 0.8661
1008 TPA 0.8660
1009 LDC 0.8659
1010 6BL 0.8659
1011 6DH 0.8658
1012 VFM 0.8657
1013 2EC 0.8656
1014 EVA 0.8656
1015 64Z 0.8656
1016 6E8 0.8655
1017 DEE 0.8655
1018 QQQ 0.8654
1019 FER 0.8654
1020 6AP 0.8653
1021 GNY 0.8653
1022 JYB 0.8652
1023 TH7 0.8650
1024 KOJ 0.8649
1025 CNI 0.8649
1026 MNP 0.8649
1027 DXK 0.8648
1028 8S0 0.8646
1029 6X9 0.8646
1030 HMU 0.8643
1031 K22 0.8643
1032 GUA 0.8642
1033 TOF 0.8641
1034 H8N 0.8641
1035 LR2 0.8640
1036 537 0.8638
1037 2B4 0.8637
1038 S62 0.8637
1039 WUB 0.8636
1040 OLU 0.8634
1041 KMH 0.8632
1042 EAE 0.8631
1043 FP1 0.8631
1044 49O 0.8631
1045 K32 0.8630
1046 IL5 0.8629
1047 WS6 0.8629
1048 8V8 0.8628
1049 6GU 0.8627
1050 FWD 0.8625
1051 TIY 0.8623
1052 X8D 0.8618
1053 EPR 0.8617
1054 82I 0.8617
1055 KKN 0.8617
1056 FDB 0.8616
1057 ONH 0.8616
1058 GTQ 0.8615
1059 Q6T 0.8615
1060 39Z 0.8615
1061 EZ1 0.8614
1062 OVV 0.8613
1063 UFV 0.8609
1064 45L 0.8609
1065 P93 0.8609
1066 3HG 0.8607
1067 XAN 0.8607
1068 SOE 0.8607
1069 PRA 0.8606
1070 CWM 0.8606
1071 Q0K 0.8600
1072 X1R 0.8600
1073 4VS 0.8598
1074 LUM 0.8598
1075 B85 0.8598
1076 BWD 0.8596
1077 BOA 0.8595
1078 GAB 0.8591
1079 9DG 0.8590
1080 IWD 0.8586
1081 3AB 0.8586
1082 54G 0.8585
1083 XRS 0.8585
1084 HNE 0.8584
1085 XRX 0.8582
1086 3M0 0.8581
1087 47V 0.8581
1088 ZZT 0.8580
1089 1XA 0.8579
1090 KT7 0.8578
1091 6C5 0.8578
1092 VFJ 0.8577
1093 4XR 0.8575
1094 V55 0.8574
1095 R8V 0.8566
1096 L13 0.8566
1097 ID2 0.8565
1098 FLV 0.8564
1099 MCY 0.8563
1100 5VJ 0.8561
1101 GUN 0.8559
1102 3PG 0.8559
1103 2D0 0.8557
1104 42C 0.8556
1105 M1Z 0.8556
1106 9CE 0.8555
1107 261 0.8554
1108 A2F 0.8552
1109 WCE 0.8551
1110 5WT 0.8550
1111 0OL 0.8548
1112 3NT 0.8545
1113 KJ5 0.8542
1114 1V3 0.8542
1115 24B 0.8540
1116 3HA 0.8535
1117 ARG 0.8531
1118 RCV 0.8530
1119 D25 0.8529
1120 AKH 0.8523
1121 AZA 0.8519
1122 DX4 0.8518
1123 FE DB1 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4YC9; Ligand: 4C1; Similar sites found with APoc: 9
This union binding pocket(no: 1) in the query (biounit: 4yc9.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5I8G 69E 25.5435
2 6GYT GLY LEU GLY ALY GLY GLY ALA ALY ALA 29.1925
3 6J3O B4L 34.2857
4 5XXH E0D 35.3383
5 4UYE 9F9 35.5932
6 4BJX 73B 36.6013
7 6J3P B8O 38.5185
8 5N18 8HZ 44.0367
9 4XUB 43D 44.4444
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