Receptor
PDB id Resolution Class Description Source Keywords
5AQN 2.45 Å EC: 3.6.3.51 FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIO OF ATP-BINDING SITE RESIDUES HOMO SAPIENS HEAT SHOCK PROTEIN HSP70 HSP72 HSC70 ATPASE BAG1 CHAPEFRAGMENT
Ref.: A FRAGMENT-BASED APPROACH APPLIED TO A HIGHLY FLEXI TARGET: INSIGHTS AND CHALLENGES TOWARDS THE INHIBIT HSP70 ISOFORMS. SCI REP V. 6 34701 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS C:1386;
E:1385;
A:1387;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
JG8 E:1382;
C:1382;
A:1382;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
186.167 C10 H6 N2 O2 c1ccc...
TRS A:1386;
C:1385;
E:1384;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
GOL D:1261;
C:1384;
B:1261;
F:1261;
A:1383;
A:1384;
E:1383;
A:1385;
C:1383;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
CL C:1387;
Invalid;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LDQ 1.9 Å EC: 3.6.3.51 CRYSTAL STRUCTURE OF HSC70/BAG1 IN COMPLEX WITH SMALL MOLECU INHIBITOR HOMO SAPIENS GRP78 HSP70 HSC70 CHAPERONE HEAT SHOCK PROTEIN FOLDINGBINDING ADENOSINE NUCLEOSIDE NUCLEOTIDE-BINDING STRESS SMALL MOLECULE INHIBITOR SELECTIVITY PHOSPHOPROTEIN APOPNUCLEUS
Ref.: ADENOSINE-DERIVED INHIBITORS OF 78 KDA GLUCOSE REGU PROTEIN (GRP78) ATPASE: INSIGHTS INTO ISOFORM SELEC J.MED.CHEM. V. 54 4034 2011
Members (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5AQP - 1LQ C8 H7 N3 c1ccc2c(c1....
2 5AQO - CWS C9 H9 N3 Cc1ccc2c(c....
3 3FZL - 3FD C25 H23 Cl2 N7 O4 c1cc(ccc1C....
4 5AQV - KC7 C21 H23 N3 O4 c1ccc(cc1)....
5 3FZH - 3BH C10 H14 N6 O4 c1nc(c2c(n....
6 3FZK - 3BK C17 H18 Cl2 N6 O4 c1cc(c(cc1....
7 3FZF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 5AQN - JG8 C10 H6 N2 O2 c1ccc2c(c1....
9 5AQT - 5P7 C14 H17 N3 O3 c1ccc2c(c1....
10 5AQF - ADN C10 H13 N5 O4 c1nc(c2c(n....
11 3FZM - 3GO C28 H26 N8 O4 c1cc2cc(cc....
12 5AQI - ADE C5 H5 N5 c1[nH]c2c(....
13 5AQS - 1SQ C9 H8 N2 c1ccc2c(c1....
14 5AQH - ZVO C8 H8 N6 CN1c2c3c(c....
15 5AQK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 5AQG - ZJB C13 H16 N6 O4 CN1c2c3c(c....
17 5AQR - N8Y C9 H9 N3 O COc1ccc2c(....
18 3M3Z Kd = 12.36 uM 3F5 C13 H19 N7 O5 CNc1nc2c(n....
19 5AQU - UX0 C15 H19 N3 O4 COc1cccc2c....
20 3LDQ Kd = 2.41 uM 3P1 C20 H21 N7 O4 c1ccc2c(c1....
21 5AQJ - Q88 C5 H6 N6 c1nc(c2c(n....
70% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5AQP - 1LQ C8 H7 N3 c1ccc2c(c1....
2 5AQO - CWS C9 H9 N3 Cc1ccc2c(c....
3 3FZL - 3FD C25 H23 Cl2 N7 O4 c1cc(ccc1C....
4 5AQV - KC7 C21 H23 N3 O4 c1ccc(cc1)....
5 3FZH - 3BH C10 H14 N6 O4 c1nc(c2c(n....
6 3FZK - 3BK C17 H18 Cl2 N6 O4 c1cc(c(cc1....
7 3FZF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 5AQN - JG8 C10 H6 N2 O2 c1ccc2c(c1....
9 5AQT - 5P7 C14 H17 N3 O3 c1ccc2c(c1....
10 5AQF - ADN C10 H13 N5 O4 c1nc(c2c(n....
11 3FZM - 3GO C28 H26 N8 O4 c1cc2cc(cc....
12 5AQI - ADE C5 H5 N5 c1[nH]c2c(....
13 5AQS - 1SQ C9 H8 N2 c1ccc2c(c1....
14 5AQH - ZVO C8 H8 N6 CN1c2c3c(c....
15 5AQK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 5AQG - ZJB C13 H16 N6 O4 CN1c2c3c(c....
17 5AQR - N8Y C9 H9 N3 O COc1ccc2c(....
18 3M3Z Kd = 12.36 uM 3F5 C13 H19 N7 O5 CNc1nc2c(n....
19 5AQU - UX0 C15 H19 N3 O4 COc1cccc2c....
20 3LDQ Kd = 2.41 uM 3P1 C20 H21 N7 O4 c1ccc2c(c1....
21 5AQJ - Q88 C5 H6 N6 c1nc(c2c(n....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5AQP - 1LQ C8 H7 N3 c1ccc2c(c1....
2 5AQO - CWS C9 H9 N3 Cc1ccc2c(c....
3 3FZL - 3FD C25 H23 Cl2 N7 O4 c1cc(ccc1C....
4 5AQV - KC7 C21 H23 N3 O4 c1ccc(cc1)....
5 3FZH - 3BH C10 H14 N6 O4 c1nc(c2c(n....
6 3FZK - 3BK C17 H18 Cl2 N6 O4 c1cc(c(cc1....
7 3FZF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 5AQN - JG8 C10 H6 N2 O2 c1ccc2c(c1....
9 5AQT - 5P7 C14 H17 N3 O3 c1ccc2c(c1....
10 5AQF - ADN C10 H13 N5 O4 c1nc(c2c(n....
11 3FZM - 3GO C28 H26 N8 O4 c1cc2cc(cc....
12 5AQI - ADE C5 H5 N5 c1[nH]c2c(....
13 5AQS - 1SQ C9 H8 N2 c1ccc2c(c1....
14 5AQH - ZVO C8 H8 N6 CN1c2c3c(c....
15 5AQK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 5AQG - ZJB C13 H16 N6 O4 CN1c2c3c(c....
17 5AQR - N8Y C9 H9 N3 O COc1ccc2c(....
18 3M3Z Kd = 12.36 uM 3F5 C13 H19 N7 O5 CNc1nc2c(n....
19 5AQU - UX0 C15 H19 N3 O4 COc1cccc2c....
20 3LDQ Kd = 2.41 uM 3P1 C20 H21 N7 O4 c1ccc2c(c1....
21 5AQJ - Q88 C5 H6 N6 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: JG8; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 JG8 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: JG8; Similar ligands found: 969
No: Ligand Similarity coefficient
1 3HA 1.0000
2 9CA 0.9826
3 1IT 0.9799
4 9FL 0.9795
5 6QF 0.9769
6 ZYR 0.9752
7 BPY 0.9730
8 BZE 0.9718
9 XDK 0.9713
10 AJV 0.9713
11 BZJ 0.9708
12 CH9 0.9695
13 3PF 0.9694
14 AN3 0.9686
15 ANC 0.9674
16 X11 0.9673
17 344 0.9668
18 D48 0.9646
19 5QY 0.9646
20 2FQ 0.9637
21 GNM 0.9628
22 G3E 0.9609
23 5RO 0.9603
24 SE2 0.9593
25 J5I 0.9591
26 0N7 0.9582
27 PEY 0.9577
28 DPT 0.9562
29 4RU 0.9559
30 L5V 0.9555
31 HQJ 0.9552
32 M3E 0.9549
33 AY4 0.9548
34 3J8 0.9546
35 A29 0.9544
36 L22 0.9541
37 E1T 0.9539
38 TT4 0.9538
39 8HC 0.9535
40 HQD 0.9535
41 0FK 0.9534
42 15N 0.9534
43 6TZ 0.9532
44 ANF 0.9530
45 8NX 0.9524
46 GJP 0.9522
47 AZ9 0.9516
48 1HN 0.9512
49 GVG 0.9512
50 12T 0.9510
51 AA 0.9502
52 0JD 0.9497
53 0BP 0.9484
54 BEA 0.9483
55 15E 0.9482
56 BZ2 0.9477
57 N8Y 0.9467
58 5TY 0.9467
59 0W1 0.9464
60 AJY 0.9460
61 6RQ 0.9453
62 39O 0.9451
63 M1Z 0.9450
64 1KP 0.9450
65 EN1 0.9450
66 DIN 0.9445
67 ICB 0.9441
68 J9Q 0.9440
69 F2W 0.9439
70 V1T 0.9438
71 3QV 0.9437
72 JP2 0.9431
73 4V2 0.9427
74 CK2 0.9425
75 30G 0.9423
76 R20 0.9422
77 PJW 0.9421
78 FDR 0.9418
79 BIK 0.9418
80 A7W 0.9413
81 4MU 0.9413
82 0F9 0.9410
83 0HN 0.9406
84 1A7 0.9404
85 5VL 0.9404
86 8WO 0.9402
87 BNL 0.9402
88 8XL 0.9398
89 BPU 0.9397
90 97T 0.9392
91 X0U 0.9390
92 XHP 0.9388
93 0HO 0.9386
94 ESX 0.9382
95 MPV 0.9381
96 N0Z 0.9380
97 3A9 0.9376
98 CK1 0.9374
99 6FB 0.9374
100 DNF 0.9374
101 ESI 0.9370
102 2HU 0.9365
103 0FO 0.9364
104 8ZE 0.9364
105 2ZM 0.9359
106 DQU 0.9357
107 6ME 0.9357
108 4JQ 0.9356
109 QX4 0.9353
110 MUA 0.9353
111 TOF 0.9351
112 0XT 0.9350
113 OTW 0.9349
114 6NT 0.9349
115 X48 0.9349
116 SLS 0.9348
117 B62 0.9347
118 1VK 0.9346
119 BGC 0.9346
120 MRW 0.9345
121 KW8 0.9342
122 2K8 0.9339
123 1F1 0.9339
124 ABI 0.9338
125 5NI 0.9336
126 KTJ 0.9334
127 MQN 0.9333
128 HA5 0.9329
129 KUF 0.9328
130 EXD 0.9327
131 R9Y 0.9325
132 S60 0.9323
133 68A 0.9322
134 IWT 0.9322
135 44W 0.9319
136 JYB 0.9319
137 BGU 0.9318
138 6NI 0.9315
139 DRG 0.9314
140 8W9 0.9313
141 TIY 0.9312
142 9ZE 0.9312
143 HHS 0.9311
144 LT2 0.9309
145 HRM 0.9306
146 92P 0.9301
147 THA 0.9300
148 FQX 0.9299
149 MSR 0.9299
150 X0W 0.9298
151 GO8 0.9287
152 9FE 0.9286
153 G12 0.9286
154 NCT 0.9285
155 E7S 0.9284
156 JDN 0.9282
157 KT7 0.9281
158 TWO 0.9280
159 JB8 0.9279
160 4BL 0.9278
161 MVN 0.9277
162 9AP 0.9276
163 3NY 0.9276
164 92K 0.9272
165 PH2 0.9271
166 4WL 0.9269
167 UFO 0.9269
168 PIY 0.9268
169 8CM 0.9268
170 ONR 0.9267
171 537 0.9266
172 ROI 0.9266
173 9KT 0.9265
174 GF4 0.9265
175 428 0.9263
176 0TU 0.9263
177 3R4 0.9262
178 LI6 0.9262
179 ESP 0.9262
180 C2Y 0.9261
181 MXD 0.9261
182 CWS 0.9260
183 0P6 0.9258
184 4BY 0.9258
185 LDR 0.9257
186 3ID 0.9257
187 5RN 0.9255
188 VXX 0.9255
189 CLZ 0.9254
190 HBO 0.9253
191 4ZA 0.9252
192 8WT 0.9251
193 KJH 0.9243
194 12Q 0.9243
195 BP7 0.9243
196 173 0.9242
197 44V 0.9240
198 PIM 0.9240
199 N2M 0.9239
200 9R5 0.9237
201 COU 0.9235
202 2HQ 0.9233
203 ICO 0.9231
204 DX3 0.9231
205 3ZB 0.9230
206 EA1 0.9230
207 7ME 0.9228
208 UNJ 0.9226
209 APZ 0.9223
210 03V 0.9223
211 86J 0.9222
212 TZF 0.9220
213 OCH 0.9218
214 BDP 0.9217
215 XIY 0.9217
216 J9T 0.9217
217 JB5 0.9217
218 F4E 0.9215
219 ES5 0.9212
220 2LY 0.9212
221 DMD 0.9209
222 HIS 0.9207
223 209 0.9204
224 5QX 0.9203
225 TTL 0.9203
226 4FS 0.9202
227 KJU 0.9199
228 F31 0.9199
229 INO 0.9198
230 SNU 0.9196
231 KDV 0.9196
232 2AQ 0.9195
233 7W1 0.9194
234 GHM 0.9194
235 4P5 0.9191
236 PXL 0.9190
237 2AK 0.9190
238 VNL 0.9186
239 27B 0.9186
240 JTA 0.9185
241 FHC 0.9185
242 Q71 0.9181
243 4A3 0.9181
244 JAW 0.9181
245 4YO 0.9181
246 1Z6 0.9180
247 N3W 0.9180
248 2HO 0.9179
249 XQ0 0.9178
250 93K 0.9177
251 363 0.9177
252 SYV 0.9176
253 A5E 0.9176
254 4KL 0.9175
255 4ME 0.9175
256 FHB 0.9174
257 E7Z 0.9174
258 9UL 0.9174
259 ZME 0.9173
260 DHB 0.9172
261 N2I 0.9172
262 4NC 0.9171
263 XX2 0.9171
264 1M2 0.9170
265 CNI 0.9169
266 GO2 0.9169
267 URC 0.9168
268 SG2 0.9166
269 94W 0.9166
270 AJ2 0.9165
271 MYJ 0.9159
272 GNV 0.9158
273 3HM 0.9158
274 NNO 0.9157
275 HQT 0.9154
276 J9W 0.9153
277 7B3 0.9150
278 2O6 0.9149
279 HHR 0.9149
280 M6N 0.9148
281 TGX 0.9145
282 PE0 0.9145
283 H42 0.9144
284 2BG 0.9144
285 6FZ 0.9142
286 HX4 0.9142
287 28N 0.9142
288 3Y7 0.9140
289 2EC 0.9138
290 AQO 0.9138
291 N91 0.9137
292 6KT 0.9137
293 GZL 0.9136
294 QBK 0.9135
295 H5B 0.9134
296 E35 0.9134
297 4Z4 0.9132
298 3VX 0.9131
299 PQ0 0.9131
300 CWJ 0.9130
301 H33 0.9129
302 Q24 0.9129
303 Z5P 0.9128
304 ES7 0.9126
305 FBB 0.9125
306 4AA 0.9125
307 KKN 0.9124
308 5XC 0.9123
309 52C 0.9123
310 75K 0.9122
311 FF2 0.9121
312 4TU 0.9120
313 20J 0.9119
314 BZ3 0.9118
315 2HC 0.9118
316 L99 0.9118
317 ISN 0.9117
318 NAG 0.9116
319 2JK 0.9114
320 JU2 0.9113
321 BTY 0.9112
322 7VP 0.9110
323 APS 0.9110
324 5OB 0.9109
325 GLC 0.9109
326 M5K 0.9107
327 GDE 0.9104
328 PPY 0.9100
329 5WV 0.9098
330 R8V 0.9098
331 ITE 0.9097
332 GZ2 0.9095
333 JR2 0.9095
334 DK1 0.9095
335 9TW 0.9095
336 2KA 0.9095
337 DNA 0.9094
338 CPZ 0.9094
339 IAC 0.9094
340 54X 0.9094
341 ET2 0.9093
342 CHB 0.9092
343 XAZ 0.9091
344 4HC 0.9091
345 P9P 0.9091
346 2FY 0.9090
347 K2T 0.9090
348 J9N 0.9090
349 MEW 0.9089
350 AZ8 0.9086
351 TTY 0.9086
352 069 0.9084
353 X8D 0.9083
354 2F6 0.9083
355 SKM 0.9083
356 SKA 0.9081
357 5GU 0.9081
358 ARP 0.9081
359 M1Q 0.9080
360 78Y 0.9079
361 XM5 0.9078
362 J6W 0.9076
363 AX3 0.9076
364 B55 0.9075
365 CFF 0.9074
366 3IT 0.9073
367 GNY 0.9072
368 WUB 0.9072
369 CTL 0.9071
370 QBS 0.9070
371 4NB 0.9070
372 IV2 0.9070
373 8TX 0.9070
374 7MU 0.9068
375 36E 0.9066
376 7I2 0.9065
377 B60 0.9064
378 7ZL 0.9062
379 MAQ 0.9062
380 LL1 0.9059
381 3Z8 0.9059
382 I3A 0.9056
383 61M 0.9056
384 DNQ 0.9055
385 XCG 0.9051
386 D3G 0.9049
387 ES2 0.9048
388 JXN 0.9047
389 PRF 0.9047
390 MS9 0.9047
391 TMG 0.9046
392 5JQ 0.9043
393 32X 0.9042
394 4LW 0.9040
395 FA0 0.9040
396 BHA 0.9040
397 DOB 0.9040
398 NDH 0.9040
399 C9E 0.9039
400 ENO 0.9038
401 SRO 0.9038
402 0W8 0.9037
403 JND 0.9036
404 7W4 0.9036
405 4M0 0.9033
406 7HQ 0.9031
407 RKV 0.9031
408 LQ2 0.9027
409 4BZ 0.9021
410 226 0.9019
411 FLV 0.9019
412 E1K 0.9017
413 I6G 0.9016
414 KWH 0.9016
415 DRL 0.9016
416 6VD 0.9015
417 NDG 0.9012
418 Q77 0.9012
419 ALE 0.9009
420 QSB 0.9005
421 37T 0.9004
422 LDP 0.9002
423 M2K 0.9002
424 DNC 0.9000
425 IHB 0.8998
426 BHQ 0.8996
427 8XQ 0.8996
428 M3H 0.8990
429 36R 0.8989
430 8MO 0.8989
431 PRL 0.8988
432 B56 0.8983
433 CLW 0.8983
434 HDH 0.8982
435 B5D 0.8982
436 5LA 0.8980
437 A5H 0.8980
438 DBH 0.8979
439 N1E 0.8977
440 OCZ 0.8976
441 5JL 0.8975
442 SQ4 0.8975
443 EGR 0.8975
444 MD6 0.8974
445 6BL 0.8973
446 DHQ 0.8973
447 795 0.8972
448 QSH 0.8971
449 OA3 0.8971
450 FDB 0.8970
451 HKD 0.8967
452 H4E 0.8965
453 K44 0.8965
454 1P7 0.8960
455 1L5 0.8959
456 5CU 0.8956
457 M4E 0.8955
458 TSS 0.8955
459 CKA 0.8954
460 36Y 0.8954
461 LNR 0.8953
462 8IG 0.8952
463 7WR 0.8951
464 0FR 0.8950
465 1P8 0.8949
466 VGD 0.8944
467 E5X 0.8944
468 KYA 0.8943
469 5NU 0.8943
470 EVF 0.8943
471 2AL 0.8942
472 ZSP 0.8941
473 KTW 0.8940
474 ANN 0.8940
475 PHU 0.8940
476 5NS 0.8940
477 1XA 0.8939
478 TYL 0.8939
479 PBA 0.8938
480 VM1 0.8938
481 DPZ 0.8935
482 FE DB1 0.8934
483 GTR 0.8934
484 SKF 0.8933
485 SQ7 0.8933
486 PHH 0.8933
487 PHE 0.8930
488 3M0 0.8930
489 CFI 0.8928
490 SYA 0.8926
491 WS7 0.8926
492 XDE 0.8925
493 RXA 0.8925
494 3F0 0.8924
495 MOK 0.8922
496 5VM 0.8922
497 8NB 0.8921
498 MAJ 0.8921
499 CTS 0.8920
500 E3X 0.8920
501 7VS 0.8919
502 JWS 0.8918
503 NID 0.8917
504 F9Y 0.8915
505 DE5 0.8915
506 PNZ 0.8914
507 ODO 0.8914
508 6X9 0.8912
509 1SQ 0.8912
510 ZYQ 0.8910
511 1WC 0.8910
512 KMY 0.8910
513 JBK 0.8909
514 NQ 0.8908
515 5WY 0.8907
516 4JT 0.8907
517 K34 0.8906
518 CWM 0.8906
519 M45 0.8906
520 ES0 0.8905
521 SXS 0.8905
522 ISZ 0.8903
523 0FN 0.8902
524 INE 0.8902
525 R2P 0.8900
526 IL5 0.8899
527 1NP 0.8899
528 7B4 0.8899
529 3AE 0.8898
530 B57 0.8898
531 0LO 0.8896
532 8G6 0.8895
533 JF2 0.8894
534 MO8 0.8892
535 5GT 0.8890
536 FGZ 0.8890
537 JLZ 0.8890
538 AH9 0.8888
539 HHI 0.8887
540 QWN 0.8886
541 549 0.8885
542 4I8 0.8885
543 VK3 0.8884
544 24W 0.8883
545 Q88 0.8883
546 IFP 0.8883
547 B4O 0.8882
548 H4B 0.8882
549 X0V 0.8881
550 PYQ 0.8881
551 CXH 0.8880
552 ASC 0.8880
553 TCA 0.8878
554 DEE 0.8878
555 1LQ 0.8878
556 1QP 0.8877
557 BQ2 0.8877
558 YTX 0.8877
559 DHK 0.8875
560 ABV 0.8873
561 QPR 0.8872
562 LZ2 0.8872
563 5B1 0.8871
564 4YS 0.8871
565 M5H 0.8871
566 K22 0.8870
567 091 0.8870
568 7ZE 0.8868
569 4HM 0.8867
570 4HB 0.8866
571 JF1 0.8866
572 FUD 0.8866
573 5SG 0.8862
574 2D0 0.8862
575 DHC 0.8861
576 QMR 0.8861
577 TEP 0.8861
578 ZHA 0.8861
579 PO6 0.8860
580 B21 0.8860
581 AX7 0.8859
582 GXY 0.8859
583 HNQ 0.8858
584 QIV 0.8857
585 4FH 0.8857
586 0NX 0.8854
587 2WU 0.8853
588 K32 0.8851
589 S0E 0.8851
590 RM1 0.8851
591 WSD 0.8850
592 2D2 0.8850
593 5IQ 0.8849
594 NIZ 0.8847
595 1Z8 0.8847
596 XFE 0.8846
597 JPZ 0.8845
598 SNO 0.8843
599 HLZ 0.8843
600 PD2 0.8842
601 4XF 0.8842
602 UFV 0.8842
603 PHB 0.8842
604 JTH 0.8842
605 4NO 0.8839
606 BHO 0.8839
607 ADZ 0.8839
608 EKZ 0.8839
609 5F8 0.8838
610 L03 0.8837
611 S2P 0.8837
612 IOS 0.8837
613 1LM 0.8836
614 HBD 0.8834
615 JA8 0.8833
616 KJY 0.8832
617 5Q0 0.8831
618 PBZ 0.8831
619 GCU 0.8831
620 4FF 0.8830
621 NPO 0.8830
622 ES1 0.8830
623 LEL 0.8829
624 7MX 0.8828
625 MUK 0.8828
626 NDM 0.8827
627 RUY 0.8827
628 Y3L 0.8826
629 S98 0.8826
630 7NI 0.8823
631 2MI 0.8823
632 2ZQ 0.8822
633 ZZZ 0.8822
634 PDC 0.8822
635 QXW 0.8821
636 KYN 0.8821
637 EWG 0.8820
638 UNC 0.8819
639 64C 0.8819
640 GAL 0.8819
641 GNJ 0.8818
642 IJZ 0.8817
643 N5J 0.8814
644 HQY 0.8814
645 5F5 0.8814
646 7O4 0.8813
647 C2U 0.8812
648 4SX 0.8812
649 JBH 0.8811
650 SHA 0.8810
651 42C 0.8810
652 8OZ 0.8809
653 PMP 0.8808
654 FOT 0.8807
655 ORO 0.8807
656 MWP 0.8805
657 Q7A 0.8805
658 PAB 0.8804
659 GVY 0.8804
660 692 0.8803
661 BSP 0.8802
662 Q6T 0.8802
663 5NE 0.8802
664 P80 0.8801
665 UAN 0.8799
666 9MG 0.8798
667 A7H 0.8797
668 DDU 0.8796
669 BA5 0.8796
670 2GQ 0.8796
671 MR1 0.8796
672 FBF 0.8795
673 6R8 0.8795
674 1Y6 0.8792
675 OXC 0.8792
676 67N 0.8791
677 56D 0.8789
678 2QC 0.8789
679 6DP 0.8789
680 AP4 0.8788
681 LUM 0.8785
682 XXP 0.8785
683 O72 0.8784
684 270 0.8784
685 2J2 0.8783
686 826 0.8782
687 717 0.8782
688 5VJ 0.8782
689 P72 0.8781
690 K25 0.8780
691 F0J 0.8778
692 ZEC 0.8778
693 4MA 0.8775
694 JXZ 0.8773
695 4VY 0.8773
696 V55 0.8771
697 HJP 0.8770
698 II4 0.8770
699 TCR 0.8768
700 42A 0.8767
701 QUS 0.8767
702 SW7 0.8766
703 RNO 0.8766
704 3HB 0.8764
705 M0W 0.8764
706 M1A 0.8762
707 GJS 0.8762
708 JRB 0.8761
709 P7Y 0.8760
710 HHA 0.8760
711 X05 0.8760
712 GTQ 0.8760
713 JUG 0.8759
714 QQQ 0.8758
715 LR5 0.8758
716 BPN 0.8758
717 DXK 0.8757
718 CN0 0.8757
719 GAB 0.8757
720 APG 0.8757
721 TPA 0.8756
722 F12 0.8756
723 4NM 0.8752
724 JZA 0.8750
725 JXW 0.8750
726 BIO 0.8750
727 GM7 0.8748
728 GYE 0.8747
729 F9P 0.8746
730 5TZ 0.8745
731 IPD 0.8745
732 W29 0.8744
733 4AN 0.8744
734 D2G 0.8744
735 QAT 0.8744
736 6ZW 0.8743
737 GZ8 0.8742
738 OQC 0.8741
739 CCV 0.8741
740 0SY 0.8740
741 EUG 0.8739
742 5JT 0.8738
743 RAT 0.8738
744 PH3 0.8737
745 3R6 0.8736
746 4XV 0.8734
747 TXW 0.8734
748 AKH 0.8733
749 XIZ 0.8733
750 PRZ 0.8733
751 RMN 0.8732
752 6M9 0.8732
753 174 0.8732
754 K7H 0.8730
755 5MI 0.8728
756 M1H 0.8727
757 ZRK 0.8726
758 GCS 0.8725
759 3WA 0.8725
760 F60 0.8725
761 5H1 0.8724
762 Q02 0.8724
763 D07 0.8723
764 FBM 0.8723
765 39U 0.8723
766 BVA 0.8722
767 PZI 0.8722
768 EMZ 0.8722
769 OVV 0.8720
770 14O 0.8719
771 DOR 0.8719
772 3MB 0.8718
773 OVM 0.8717
774 2D3 0.8716
775 2J1 0.8714
776 VOH 0.8714
777 SWA 0.8714
778 S7J 0.8713
779 TBS 0.8713
780 AMR 0.8712
781 1DW 0.8712
782 M0Q 0.8711
783 NPY 0.8711
784 K6X 0.8710
785 HCI 0.8710
786 K68 0.8710
787 RA7 0.8708
788 3VQ 0.8707
789 QUZ 0.8707
790 JRO 0.8707
791 9TF 0.8706
792 WCE 0.8705
793 NRA 0.8702
794 JGB 0.8702
795 DIU 0.8700
796 JY4 0.8700
797 G1O 0.8700
798 3QM 0.8700
799 5MB 0.8699
800 11S 0.8697
801 DX1 0.8697
802 QMS 0.8697
803 49O 0.8696
804 WS6 0.8696
805 BZX 0.8696
806 ODK 0.8695
807 HNT 0.8694
808 GDL 0.8694
809 L7T 0.8693
810 5RG 0.8692
811 Z82 0.8692
812 NTZ 0.8691
813 X09 0.8690
814 2K4 0.8690
815 ZZA 0.8690
816 LZM 0.8690
817 3AB 0.8690
818 53C 0.8689
819 7MK 0.8689
820 DCZ 0.8689
821 54G 0.8686
822 TAG 0.8686
823 2FX 0.8686
824 9BF 0.8686
825 SN4 0.8686
826 YZM 0.8685
827 6E8 0.8685
828 5M0 0.8684
829 KGK 0.8684
830 CSN 0.8684
831 6AI 0.8683
832 THM 0.8683
833 4A5 0.8682
834 LJ3 0.8682
835 4NZ 0.8681
836 4VS 0.8679
837 5WT 0.8678
838 259 0.8678
839 PFB 0.8677
840 R6T 0.8677
841 9LI 0.8676
842 4XH 0.8676
843 DUR 0.8674
844 EVA 0.8674
845 MUR 0.8674
846 BGP 0.8672
847 PAC 0.8669
848 ES9 0.8666
849 ZVO 0.8666
850 JBQ 0.8665
851 EUE 0.8664
852 JAE 0.8663
853 H70 0.8663
854 KOJ 0.8663
855 IQ5 0.8663
856 OW4 0.8662
857 NGO 0.8662
858 H4N 0.8662
859 P9E 0.8661
860 GUN 0.8661
861 2A9 0.8660
862 CB1 0.8659
863 OMD 0.8659
864 5GV 0.8659
865 K37 0.8658
866 V2Z 0.8658
867 XQK 0.8657
868 TH7 0.8656
869 K17 0.8656
870 QIC 0.8656
871 PX7 0.8654
872 I3E 0.8653
873 AC6 0.8653
874 FK1 0.8652
875 B1J 0.8652
876 ADA 0.8652
877 5HN 0.8651
878 PQK 0.8649
879 BRT 0.8649
880 A13 0.8649
881 9DG 0.8648
882 495 0.8645
883 4XS 0.8642
884 ZYV 0.8642
885 LDC 0.8640
886 3FH 0.8639
887 60L 0.8638
888 HH8 0.8637
889 TIA 0.8637
890 92G 0.8630
891 5FL 0.8629
892 2PV 0.8628
893 3NT 0.8625
894 C8O 0.8625
895 HMH 0.8624
896 AZA 0.8623
897 M6Z 0.8621
898 505 0.8620
899 GSY 0.8620
900 GCB 0.8620
901 C53 0.8619
902 EV0 0.8619
903 PUE 0.8619
904 A1Y 0.8618
905 TXQ 0.8615
906 DBX 0.8614
907 AW5 0.8610
908 4M4 0.8609
909 2PK 0.8608
910 HBI 0.8608
911 IA2 0.8606
912 FBU 0.8605
913 H05 0.8605
914 M4T 0.8602
915 QX2 0.8601
916 QAS 0.8599
917 1X7 0.8598
918 DAH 0.8595
919 3BZ 0.8594
920 M4S 0.8594
921 MT0 0.8593
922 IPB 0.8590
923 2CQ 0.8590
924 F05 0.8589
925 0RW 0.8588
926 1DR 0.8586
927 M5N 0.8586
928 NMJ 0.8585
929 XAN 0.8584
930 DBJ 0.8582
931 LAO 0.8582
932 NLA 0.8582
933 22L 0.8580
934 82I 0.8575
935 NVU 0.8575
936 9CE 0.8572
937 P4L 0.8570
938 ASO 0.8570
939 QWW 0.8570
940 URI 0.8570
941 JF6 0.8570
942 FZM 0.8570
943 U7E 0.8569
944 YH7 0.8564
945 3VS 0.8564
946 S7A 0.8560
947 TRP 0.8560
948 IGA 0.8559
949 774 0.8556
950 N2Z 0.8553
951 67X 0.8552
952 4AV 0.8547
953 2CK 0.8546
954 680 0.8546
955 MS0 0.8545
956 7FF 0.8544
957 DHR 0.8542
958 55D 0.8542
959 KWQ 0.8539
960 582 0.8537
961 8U3 0.8537
962 KJ5 0.8535
963 XXG 0.8533
964 36M 0.8533
965 8WZ 0.8530
966 IQZ 0.8530
967 141 0.8528
968 EV2 0.8520
969 1ZC 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LDQ; Ligand: 3P1; 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: 3ldq.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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