Receptor
PDB id Resolution Class Description Source Keywords
4YAB 1.9 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF TRIM24 PHD-BROMODOMAIN COMPLEXED WITH 1 (2-METHYL-1 3-THIAZOL-4-YL)-2 3-DIHYDRO-1H-INDOL-2-ONE (1) 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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:1101;
B:1102;
A:1102;
A:1101;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
4CN B:1103;
A:1103;
 Valid;
Valid;
 none;
none;
 ic50 = 8.5 uM
244.312 C13 H12 N2 O S Cc1nc...
SO4 B:1104;
A:1104;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
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: 4CN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 4CN 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 4CN; Similar ligands found: 775
No: Ligand Similarity coefficient
1 7EH 0.9759
2 0UL 0.9610
3 OLU 0.9576
4 JCZ 0.9574
5 2P3 0.9569
6 FCW 0.9557
7 S0D 0.9514
8 833 0.9507
9 TID 0.9499
10 FYR 0.9498
11 0OK 0.9495
12 2JX 0.9456
13 RSV 0.9435
14 PIQ 0.9430
15 6P3 0.9411
16 2QU 0.9407
17 0DF 0.9401
18 2QV 0.9387
19 I2E 0.9387
20 E6Q 0.9362
21 397 0.9358
22 ZRK 0.9350
23 PQM 0.9348
24 PRL 0.9347
25 QME 0.9345
26 6H2 0.9342
27 VC3 0.9340
28 XCG 0.9340
29 5VU 0.9339
30 PQS 0.9337
31 LR8 0.9334
32 OUG 0.9332
33 G2V 0.9332
34 EV2 0.9326
35 C4E 0.9324
36 5B2 0.9323
37 H75 0.9320
38 ZTW 0.9314
39 5E5 0.9310
40 5F1 0.9309
41 5SJ 0.9291
42 0NJ 0.9289
43 C0V 0.9285
44 1FE 0.9284
45 6DQ 0.9279
46 0SY 0.9276
47 FHV 0.9274
48 4AU 0.9271
49 3VS 0.9267
50 EES 0.9267
51 OUA 0.9266
52 AVX 0.9264
53 1HP 0.9260
54 4FC 0.9255
55 L2K 0.9248
56 II4 0.9247
57 K7H 0.9244
58 7KE 0.9240
59 AJ1 0.9236
60 FZM 0.9231
61 F40 0.9231
62 9JT 0.9230
63 4I8 0.9229
64 1EB 0.9225
65 4UM 0.9224
66 3JC 0.9222
67 363 0.9220
68 57D 0.9219
69 LIG 0.9218
70 WG8 0.9216
71 1R5 0.9216
72 245 0.9213
73 LR2 0.9207
74 XYS XYS 0.9205
75 BXS 0.9203
76 ITE 0.9201
77 6QT 0.9201
78 1XS 0.9200
79 3WL 0.9199
80 LUM 0.9199
81 MR6 0.9196
82 47V 0.9194
83 HH6 0.9194
84 WA1 0.9192
85 7FU 0.9191
86 GEN 0.9191
87 M78 0.9189
88 LU2 0.9187
89 Q0K 0.9183
90 2WU 0.9180
91 TMG 0.9180
92 789 0.9176
93 O9Q 0.9173
94 4BX 0.9169
95 Y3L 0.9167
96 D26 0.9166
97 BBY 0.9165
98 NAL 0.9165
99 S98 0.9164
100 D25 0.9160
101 HRM 0.9159
102 X2M 0.9159
103 QIV 0.9157
104 2PV 0.9155
105 8V8 0.9154
106 KLS 0.9154
107 UAY 0.9152
108 YE6 0.9149
109 FY8 0.9146
110 AP6 0.9145
111 6BK 0.9145
112 5WK 0.9145
113 2J1 0.9144
114 XYP XYP 0.9144
115 NKI 0.9143
116 ZHA 0.9143
117 CX6 0.9143
118 MR4 0.9142
119 FT6 0.9142
120 GJG 0.9141
121 ZRL 0.9138
122 BSU 0.9138
123 52F 0.9134
124 8CC 0.9133
125 3GX 0.9133
126 TRP 0.9133
127 MKN 0.9131
128 72D 0.9131
129 1A5 0.9130
130 22T 0.9129
131 NDD 0.9128
132 A5Q 0.9128
133 5OR 0.9128
134 1DR 0.9124
135 1Q2 0.9120
136 7L4 0.9120
137 5AD 0.9120
138 39R 0.9118
139 RGK 0.9118
140 5NN 0.9114
141 TVC 0.9113
142 0ON 0.9109
143 QBP 0.9109
144 2PK 0.9109
145 AJG 0.9107
146 XIL 0.9107
147 7G0 0.9106
148 68B 0.9105
149 P4L 0.9105
150 Q92 0.9105
151 1V4 0.9104
152 TPM 0.9104
153 LI7 0.9104
154 3F4 0.9103
155 YZ9 0.9103
156 CC5 0.9101
157 NEU 0.9099
158 3D3 0.9098
159 RDV 0.9098
160 20D 0.9095
161 EAT 0.9095
162 1ZC 0.9094
163 SZ5 0.9094
164 7FZ 0.9093
165 LZ5 0.9093
166 1V1 0.9092
167 D64 0.9091
168 5S9 0.9090
169 BMC 0.9089
170 OA4 0.9089
171 K0G 0.9087
172 CWE 0.9086
173 DFL 0.9086
174 F02 0.9086
175 YE7 0.9082
176 WLH 0.9082
177 DX7 0.9081
178 JAH 0.9080
179 5H6 0.9079
180 J1K 0.9077
181 25F 0.9077
182 KP2 0.9075
183 23M 0.9074
184 XYP XDN 0.9072
185 5ER 0.9071
186 BX4 0.9071
187 2GQ 0.9070
188 NIY 0.9069
189 J38 0.9069
190 MR5 0.9069
191 9CE 0.9069
192 A73 0.9068
193 15Q 0.9065
194 801 0.9064
195 BQ2 0.9064
196 7G2 0.9064
197 N91 0.9064
198 3VX 0.9063
199 OSY 0.9059
200 856 0.9058
201 A8D 0.9055
202 FBC 0.9054
203 20N 0.9054
204 4NR 0.9052
205 1V3 0.9050
206 3SU 0.9048
207 NK5 0.9048
208 LJ2 0.9047
209 N5B 0.9044
210 5TO 0.9044
211 1Q4 0.9044
212 272 0.9043
213 P4T 0.9043
214 EST 0.9043
215 HRD 0.9042
216 AJ4 0.9042
217 0XR 0.9041
218 4ZF 0.9041
219 6FB 0.9041
220 122 0.9041
221 BMZ 0.9041
222 A6W 0.9039
223 3QI 0.9038
224 3D1 0.9037
225 DDC 0.9035
226 28A 0.9035
227 120 0.9034
228 0DJ 0.9034
229 IBP 0.9033
230 47X 0.9033
231 9NB 0.9030
232 Q2S 0.9026
233 3D8 0.9023
234 0FR 0.9023
235 0LA 0.9023
236 68C 0.9021
237 6SD 0.9020
238 XYP XIF 0.9020
239 A9B 0.9020
240 124 0.9020
241 LJ1 0.9020
242 5TU 0.9019
243 AOY 0.9019
244 CHQ 0.9018
245 KLE 0.9017
246 5M2 0.9015
247 6C8 0.9014
248 KMY 0.9014
249 VUP 0.9011
250 E3X 0.9011
251 ZZA 0.9009
252 A05 0.9008
253 NYJ 0.9008
254 HNT 0.9007
255 92O 0.9004
256 Z3R 0.9003
257 27K 0.9003
258 H35 0.9001
259 11X 0.9000
260 3L1 0.9000
261 M83 0.8999
262 5ZM 0.8999
263 Z21 0.8998
264 JMG 0.8998
265 TCR 0.8998
266 WCU 0.8996
267 51Y 0.8995
268 1Q1 0.8995
269 802 0.8994
270 Y0V 0.8993
271 4AF 0.8993
272 NAR 0.8993
273 OT4 0.8993
274 XIF XYP 0.8993
275 YIP 0.8993
276 8YH 0.8992
277 3VQ 0.8992
278 8D6 0.8991
279 KWB 0.8989
280 NRA 0.8988
281 KXN 0.8988
282 M4N 0.8988
283 121 0.8987
284 XYS XYP 0.8986
285 P2L 0.8985
286 2FX 0.8984
287 08C 0.8984
288 4HG 0.8983
289 1BW 0.8982
290 DXK 0.8981
291 IQW 0.8980
292 H4B 0.8980
293 5XL 0.8979
294 4FE 0.8977
295 4GU 0.8977
296 AGI 0.8977
297 XI7 0.8977
298 LFN 0.8976
299 3Q0 0.8974
300 IOP 0.8974
301 38E 0.8974
302 KMP 0.8974
303 S0A 0.8970
304 JBZ 0.8969
305 L3L 0.8968
306 IDZ 0.8967
307 ESR 0.8966
308 6VW 0.8964
309 HMO 0.8963
310 PLP 0.8962
311 8M5 0.8962
312 DHC 0.8961
313 SJR 0.8961
314 5TZ 0.8960
315 NIF 0.8959
316 ADN 0.8957
317 2L1 0.8956
318 KLV 0.8955
319 9BF 0.8954
320 CBE 0.8954
321 Q8G 0.8954
322 FF2 0.8953
323 WA2 0.8953
324 CR4 0.8952
325 F18 0.8952
326 WV7 0.8951
327 SWX 0.8950
328 XDL XYP 0.8949
329 NPX 0.8948
330 DX2 0.8948
331 O9Z 0.8948
332 ZSP 0.8945
333 U13 0.8945
334 GO2 0.8945
335 HWB 0.8944
336 7LU 0.8941
337 RF2 0.8940
338 1OT 0.8939
339 NPS 0.8937
340 K3D 0.8937
341 EQU 0.8936
342 TEF 0.8936
343 O9T 0.8932
344 IMH 0.8931
345 5WT 0.8930
346 KF5 0.8929
347 CDJ 0.8928
348 EI1 0.8928
349 5C1 0.8926
350 613 0.8926
351 7PJ 0.8925
352 109 0.8924
353 BIO 0.8923
354 4L2 0.8923
355 TES 0.8923
356 VT3 0.8923
357 JL7 0.8923
358 3IP 0.8921
359 ERZ 0.8920
360 BVS 0.8919
361 WF4 0.8919
362 6C5 0.8918
363 LWS 0.8917
364 JVD 0.8917
365 FQX 0.8917
366 W8L 0.8916
367 KU1 0.8915
368 M3W 0.8915
369 GB4 0.8914
370 2D2 0.8914
371 IEE 0.8913
372 CUE 0.8912
373 97K 0.8910
374 J3Z 0.8910
375 E9L 0.8910
376 LJ5 0.8909
377 4Z9 0.8908
378 H2W 0.8907
379 0MB 0.8906
380 QUE 0.8904
381 X0U 0.8902
382 1KN 0.8901
383 7N8 0.8900
384 LC1 0.8900
385 XDN XYP 0.8900
386 9KZ 0.8900
387 L5D 0.8899
388 MD6 0.8897
389 9FH 0.8896
390 EQW 0.8896
391 B4L 0.8895
392 ARJ 0.8894
393 A6Z 0.8894
394 657 0.8894
395 WDW 0.8894
396 IQQ 0.8894
397 Q4G 0.8892
398 G14 0.8892
399 ESJ 0.8891
400 LVY 0.8890
401 4FF 0.8890
402 ODK 0.8890
403 CX4 0.8889
404 IIH 0.8888
405 LL1 0.8888
406 39Z 0.8886
407 5V7 0.8886
408 4HB 0.8884
409 U55 0.8883
410 6FG 0.8883
411 MJW 0.8881
412 90M 0.8881
413 96Z 0.8880
414 5TT 0.8879
415 5CD 0.8879
416 CC6 0.8878
417 BUX 0.8877
418 1V8 0.8876
419 4YE 0.8876
420 91F 0.8875
421 7MW 0.8874
422 ZIP 0.8873
423 26C 0.8872
424 3WN 0.8871
425 3WO 0.8871
426 NFZ 0.8870
427 BC5 0.8870
428 3N0 0.8869
429 3MI 0.8869
430 108 0.8868
431 6L6 0.8868
432 X0T 0.8867
433 BHS 0.8865
434 2OX 0.8864
435 0QA 0.8864
436 GOE 0.8863
437 FMH 0.8863
438 1AJ 0.8862
439 LO1 0.8862
440 ZEA 0.8861
441 CIU 0.8861
442 AO 0.8860
443 V1T 0.8860
444 NE2 0.8860
445 HBI 0.8859
446 NQ7 0.8858
447 4AB 0.8856
448 KWV 0.8855
449 HDI 0.8853
450 GB5 0.8853
451 SYE 0.8852
452 TVZ 0.8851
453 AX1 0.8849
454 AC2 0.8849
455 GNG 0.8849
456 IDD 0.8849
457 6ZE 0.8848
458 H2B 0.8848
459 83D 0.8848
460 BP7 0.8848
461 ET0 0.8847
462 5XM 0.8845
463 JF8 0.8845
464 49P 0.8845
465 OJM 0.8843
466 SNJ 0.8840
467 18E 0.8840
468 CG 0.8840
469 6DH 0.8839
470 2L2 0.8839
471 Q11 0.8837
472 A45 0.8837
473 AES 0.8837
474 L1T 0.8836
475 NXB 0.8835
476 NZ4 0.8834
477 B2E 0.8834
478 7ZO 0.8833
479 6C9 0.8832
480 RKV 0.8832
481 TFX 0.8832
482 Q8D 0.8831
483 EZL 0.8831
484 5TY 0.8831
485 0K7 0.8830
486 S8P 0.8830
487 5WN 0.8829
488 SDN 0.8828
489 KW7 0.8828
490 A63 0.8826
491 40N 0.8825
492 FER 0.8824
493 M16 0.8824
494 5GV 0.8822
495 NU3 0.8822
496 RVE 0.8821
497 041 0.8821
498 M28 0.8821
499 S60 0.8820
500 DX8 0.8819
501 FC2 0.8817
502 RYV 0.8817
503 PTB 0.8816
504 5P3 0.8815
505 1FL 0.8815
506 B1J 0.8815
507 DAH 0.8815
508 A5H 0.8814
509 7EL 0.8813
510 72E 0.8812
511 90G 0.8812
512 0X2 0.8811
513 LZ4 0.8811
514 MT6 0.8811
515 17M 0.8809
516 2QC 0.8808
517 4G2 0.8807
518 BGU 0.8806
519 DFV 0.8806
520 STL 0.8805
521 205 0.8804
522 72G 0.8803
523 XYS AZI XYS 0.8803
524 RKY 0.8802
525 GVY 0.8802
526 NOC 0.8798
527 X48 0.8798
528 GHQ 0.8797
529 IS2 0.8796
530 5EZ 0.8796
531 D9Z 0.8796
532 DT7 0.8795
533 C53 0.8794
534 0RY 0.8794
535 GJB 0.8792
536 5FL 0.8792
537 U4J 0.8791
538 4Z1 0.8790
539 EUH 0.8790
540 IW4 0.8787
541 135 0.8786
542 78Y 0.8785
543 4NP 0.8785
544 28B 0.8784
545 XEV 0.8784
546 ECS 0.8784
547 C82 0.8782
548 9EG 0.8781
549 3W3 0.8781
550 3W6 0.8781
551 UN3 0.8780
552 6N4 0.8780
553 5SD 0.8779
554 EEK 0.8778
555 GJK 0.8778
556 6MW 0.8778
557 G6P 0.8778
558 7PS 0.8777
559 CTE 0.8777
560 6TJ 0.8776
561 907 0.8775
562 MBT 0.8774
563 IW3 0.8773
564 8EU 0.8773
565 OQR 0.8773
566 PIT 0.8769
567 3AD 0.8768
568 UN9 0.8767
569 F5C 0.8766
570 AOX 0.8766
571 3UG 0.8765
572 3CA 0.8765
573 A51 0.8764
574 GO8 0.8763
575 C4F 0.8762
576 BBP 0.8762
577 K3T 0.8761
578 PNP 0.8761
579 A26 0.8761
580 E92 0.8760
581 3DE 0.8759
582 3K1 0.8759
583 5O6 0.8759
584 AD6 0.8758
585 JTN 0.8758
586 L15 0.8757
587 4P9 0.8757
588 VFJ 0.8756
589 27F 0.8753
590 GJW 0.8753
591 G1L 0.8752
592 5F8 0.8752
593 E98 0.8751
594 PMP 0.8751
595 IQZ 0.8750
596 GZV 0.8750
597 1UT 0.8743
598 BZQ 0.8743
599 697 0.8742
600 FCD 0.8742
601 OSP 0.8741
602 ASD 0.8740
603 XYP XYS 0.8740
604 22M 0.8738
605 3R4 0.8738
606 4BL 0.8736
607 ESL 0.8736
608 338 0.8736
609 7O4 0.8735
610 RE2 0.8734
611 U14 0.8734
612 HPZ 0.8734
613 2UD 0.8733
614 B15 0.8733
615 AOM 0.8733
616 IW5 0.8732
617 AMR 0.8731
618 92G 0.8729
619 2PW 0.8728
620 123 0.8727
621 N1E 0.8726
622 AQN 0.8723
623 IRH 0.8723
624 ESZ 0.8723
625 T21 0.8723
626 5CK 0.8723
627 8WB 0.8722
628 MI2 0.8720
629 CMG 0.8718
630 4BY 0.8717
631 N7I 0.8715
632 OQC 0.8715
633 SU9 0.8714
634 3WK 0.8714
635 9OF 0.8714
636 FMC 0.8711
637 P7V 0.8709
638 HC4 0.8709
639 QNM 0.8709
640 6KT 0.8706
641 OJD 0.8705
642 DHT 0.8705
643 SAK 0.8705
644 3XR 0.8704
645 CT0 0.8703
646 ALE 0.8702
647 HPK 0.8702
648 4MB 0.8700
649 VM1 0.8700
650 C1E 0.8699
651 LWA 0.8699
652 OTA 0.8698
653 A7H 0.8695
654 STV 0.8694
655 4NS 0.8693
656 1UZ 0.8693
657 BVB 0.8691
658 LOT 0.8691
659 JSX 0.8691
660 4CF 0.8691
661 B21 0.8689
662 6C4 0.8689
663 BIH 0.8689
664 3ZB 0.8689
665 R18 0.8688
666 FNT 0.8687
667 LOX XYP 0.8687
668 94X 0.8686
669 K97 0.8686
670 JCQ 0.8686
671 A4D 0.8685
672 35K 0.8684
673 S62 0.8683
674 79X 0.8680
675 DQH 0.8677
676 VFM 0.8677
677 X8I 0.8676
678 PQV 0.8676
679 A98 0.8675
680 AV7 0.8674
681 P81 0.8673
682 C0E 0.8673
683 L03 0.8673
684 SJK 0.8672
685 CNI 0.8672
686 6ZW 0.8672
687 334 0.8670
688 1CE 0.8669
689 F4K 0.8668
690 PZX 0.8668
691 5OO 0.8667
692 JF5 0.8666
693 6J5 0.8665
694 JA5 0.8664
695 1HR 0.8663
696 S8G 0.8663
697 Q9T 0.8662
698 RKN 0.8659
699 BG6 0.8659
700 4R1 0.8653
701 MUK 0.8652
702 GVI 0.8652
703 1QV 0.8651
704 MYU 0.8651
705 AV6 0.8649
706 ZYC 0.8649
707 D8Q 0.8648
708 ANB 0.8647
709 AN3 0.8644
710 K4V 0.8643
711 TYR 0.8643
712 AVA 0.8642
713 OA1 0.8641
714 OAQ 0.8638
715 8SK 0.8635
716 N2M 0.8635
717 6FX 0.8634
718 1V0 0.8633
719 5GT 0.8633
720 5WW 0.8629
721 ZEC 0.8629
722 FSE 0.8624
723 0F3 0.8624
724 5XK 0.8623
725 GLP 0.8623
726 VBC 0.8621
727 UNJ 0.8619
728 RYY 0.8617
729 EAE 0.8616
730 6B5 0.8615
731 1UR 0.8615
732 ESM 0.8612
733 NVS 0.8610
734 RDT 0.8610
735 ENY 0.8610
736 8XL 0.8608
737 SOJ 0.8608
738 EUE 0.8608
739 N9M 0.8604
740 3TI 0.8603
741 80G 0.8602
742 FTK 0.8601
743 2Q0 0.8601
744 E1K 0.8599
745 LZ7 0.8599
746 X2L 0.8594
747 FLP 0.8592
748 BJ4 0.8592
749 IMK 0.8590
750 PCQ 0.8588
751 TFQ 0.8587
752 JRO 0.8586
753 E9S 0.8585
754 5F5 0.8585
755 SKF 0.8585
756 4YF 0.8583
757 N0Z 0.8582
758 IXG 0.8577
759 T5J 0.8577
760 8NB 0.8576
761 THA 0.8575
762 HUL 0.8568
763 0NX 0.8568
764 J8D 0.8567
765 68A 0.8567
766 S0E 0.8567
767 Q5M 0.8567
768 BU7 0.8563
769 428 0.8556
770 VGS 0.8555
771 4F8 0.8538
772 PUE 0.8534
773 LJ3 0.8527
774 IXM 0.8515
775 JVB 0.8510
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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