Receptor
PDB id Resolution Class Description Source Keywords
5AQR 1.91 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
GOL A:1386;
B:1263;
A:1387;
C:1384;
B:1261;
C:1385;
B:1262;
A:1384;
A:1385;
D:1262;
E:1384;
A:1389;
E:1385;
C:1387;
C:1386;
A:1390;
B:1264;
A:1388;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
DMS A:1391;
C:1388;
E:1387;
E:1386;
A:1396;
A:1392;
A:1393;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
N8Y E:1383;
A:1383;
C:1383;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
175.187 C9 H9 N3 O COc1c...
TRS A:1382;
E:1382;
C:1382;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
CL C:1396;
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: N8Y; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 N8Y 1 1
2 CWS 0.520833 0.787879
Similar Ligands (3D)
Ligand no: 1; Ligand: N8Y; Similar ligands found: 1150
No: Ligand Similarity coefficient
1 KUF 0.9825
2 0P6 0.9764
3 8CM 0.9760
4 8HC 0.9754
5 0FK 0.9749
6 PH2 0.9744
7 8ZE 0.9717
8 HHR 0.9708
9 8WT 0.9693
10 UFO 0.9680
11 9R5 0.9667
12 ZYR 0.9659
13 2HQ 0.9658
14 KDV 0.9656
15 GCS 0.9655
16 JND 0.9653
17 2K8 0.9650
18 BEA 0.9648
19 8W9 0.9646
20 6ME 0.9642
21 ESI 0.9634
22 0JD 0.9633
23 R9Y 0.9633
24 0FO 0.9627
25 BGC 0.9627
26 DQU 0.9622
27 1P7 0.9610
28 3Z8 0.9610
29 N2I 0.9606
30 B62 0.9605
31 G3F 0.9591
32 KT7 0.9589
33 QX4 0.9587
34 8S0 0.9587
35 15N 0.9580
36 HA5 0.9578
37 KTW 0.9577
38 MVN 0.9576
39 XHP 0.9572
40 OTW 0.9565
41 B60 0.9565
42 86J 0.9564
43 MAQ 0.9562
44 44W 0.9561
45 VXX 0.9557
46 MRW 0.9556
47 DNF 0.9553
48 APZ 0.9551
49 2FQ 0.9543
50 BZ3 0.9533
51 OCH 0.9531
52 V1T 0.9530
53 DIN 0.9529
54 HHS 0.9526
55 4KL 0.9526
56 5B1 0.9523
57 5XC 0.9523
58 UAN 0.9515
59 E1T 0.9512
60 44V 0.9510
61 ES5 0.9507
62 4FS 0.9507
63 PQ0 0.9506
64 5OB 0.9504
65 03V 0.9504
66 PRF 0.9504
67 A7W 0.9504
68 COU 0.9503
69 JB5 0.9498
70 2AQ 0.9498
71 9ZE 0.9490
72 GLC 0.9489
73 H42 0.9487
74 28N 0.9487
75 IV2 0.9485
76 9FE 0.9479
77 4JQ 0.9479
78 FDR 0.9479
79 0TU 0.9477
80 AJV 0.9475
81 5RO 0.9472
82 RM1 0.9468
83 JG8 0.9467
84 94W 0.9466
85 I3A 0.9465
86 TSS 0.9464
87 MQN 0.9458
88 4M4 0.9458
89 GAL 0.9458
90 2D0 0.9457
91 2BG 0.9456
92 TTY 0.9454
93 0HN 0.9453
94 CWM 0.9448
95 DPZ 0.9446
96 92P 0.9446
97 BDP 0.9446
98 C9E 0.9443
99 7VS 0.9440
100 LZM 0.9437
101 4ME 0.9435
102 2LY 0.9432
103 2EC 0.9430
104 MUA 0.9428
105 6NT 0.9427
106 ICO 0.9426
107 SX1 0.9425
108 URC 0.9425
109 M2K 0.9422
110 42A 0.9421
111 0HO 0.9421
112 7HQ 0.9420
113 MEW 0.9420
114 8TX 0.9412
115 5M0 0.9409
116 GTQ 0.9409
117 3R6 0.9408
118 1F1 0.9407
119 DEE 0.9407
120 5MK 0.9406
121 F9Y 0.9406
122 27B 0.9406
123 54G 0.9405
124 QBK 0.9405
125 XIY 0.9403
126 N7I 0.9402
127 9FL 0.9401
128 JYB 0.9400
129 C2Y 0.9397
130 1M2 0.9393
131 JF1 0.9389
132 4YO 0.9388
133 SLS 0.9384
134 AQO 0.9382
135 12Q 0.9380
136 PE0 0.9378
137 3NY 0.9378
138 M5K 0.9376
139 15E 0.9376
140 V55 0.9374
141 2HU 0.9374
142 2AK 0.9373
143 7MX 0.9372
144 TTL 0.9371
145 Q88 0.9369
146 G3E 0.9369
147 5TY 0.9369
148 E7S 0.9368
149 BCU 0.9367
150 JAW 0.9365
151 ES0 0.9363
152 KJU 0.9363
153 5NI 0.9363
154 9CA 0.9362
155 1QP 0.9361
156 5RG 0.9361
157 CWJ 0.9360
158 7B3 0.9360
159 15L 0.9358
160 3A9 0.9358
161 PXL 0.9358
162 2ZM 0.9357
163 PEY 0.9355
164 JF2 0.9354
165 30G 0.9354
166 344 0.9351
167 AJ2 0.9350
168 D48 0.9348
169 5QY 0.9347
170 J6W 0.9346
171 209 0.9344
172 KTJ 0.9344
173 A29 0.9343
174 6VD 0.9343
175 AZ8 0.9342
176 1IT 0.9342
177 J9T 0.9341
178 SKA 0.9341
179 3PF 0.9340
180 4HC 0.9340
181 39O 0.9339
182 0N7 0.9336
183 6QF 0.9336
184 LGC 0.9335
185 AX3 0.9332
186 SRO 0.9330
187 M0Q 0.9330
188 8IG 0.9329
189 BZ2 0.9328
190 TOF 0.9327
191 J5I 0.9327
192 5RN 0.9326
193 6NI 0.9326
194 B56 0.9325
195 HQT 0.9325
196 9MG 0.9325
197 M4E 0.9323
198 BPU 0.9323
199 75K 0.9322
200 CTL 0.9322
201 7W1 0.9319
202 6CS 0.9319
203 CH9 0.9319
204 VNL 0.9318
205 4JT 0.9318
206 68A 0.9317
207 Q24 0.9316
208 GVG 0.9315
209 0W1 0.9314
210 F0J 0.9313
211 EA1 0.9312
212 B55 0.9312
213 SYV 0.9311
214 1A7 0.9309
215 5NE 0.9308
216 XQ0 0.9307
217 SHG 0.9306
218 5QX 0.9305
219 LDP 0.9305
220 XAZ 0.9303
221 CLZ 0.9302
222 ESP 0.9302
223 ZZZ 0.9296
224 0F9 0.9294
225 GNM 0.9293
226 ABI 0.9292
227 ABV 0.9292
228 MR1 0.9291
229 AY4 0.9291
230 AJY 0.9290
231 4MU 0.9288
232 4RU 0.9288
233 ICB 0.9286
234 GCU 0.9286
235 0XT 0.9282
236 AZ9 0.9282
237 6RQ 0.9282
238 TWO 0.9279
239 JLZ 0.9278
240 DNC 0.9277
241 DHB 0.9277
242 ANC 0.9277
243 MWP 0.9276
244 ESX 0.9275
245 5WY 0.9275
246 FLV 0.9274
247 7I2 0.9274
248 20J 0.9274
249 SOR 0.9273
250 32X 0.9273
251 12T 0.9272
252 LKA 0.9272
253 2O6 0.9269
254 3IT 0.9269
255 8NX 0.9267
256 GXY 0.9267
257 INO 0.9267
258 HQD 0.9266
259 GO2 0.9266
260 226 0.9265
261 5WV 0.9264
262 E7Z 0.9262
263 SE2 0.9258
264 5GU 0.9257
265 HKD 0.9257
266 H33 0.9256
267 92K 0.9255
268 TT4 0.9254
269 BTY 0.9254
270 HBO 0.9253
271 4VS 0.9252
272 EOL 0.9250
273 BPY 0.9249
274 Q7A 0.9248
275 NDM 0.9247
276 N0Z 0.9245
277 PYQ 0.9245
278 GJP 0.9245
279 LT2 0.9244
280 GDE 0.9243
281 1LQ 0.9243
282 NNO 0.9242
283 TGX 0.9242
284 KJH 0.9241
285 Q71 0.9241
286 EN1 0.9238
287 DRL 0.9237
288 6KT 0.9236
289 NID 0.9235
290 5WX 0.9231
291 JB8 0.9230
292 4HM 0.9230
293 SHA 0.9229
294 FHB 0.9225
295 GHM 0.9224
296 7B4 0.9224
297 5JL 0.9222
298 DHQ 0.9222
299 AX7 0.9222
300 JP2 0.9221
301 FBB 0.9221
302 FF2 0.9221
303 JDN 0.9220
304 ISN 0.9220
305 AN3 0.9219
306 K2T 0.9218
307 HLZ 0.9217
308 4NC 0.9217
309 DOB 0.9217
310 B5D 0.9216
311 9KT 0.9216
312 NIZ 0.9216
313 JTH 0.9216
314 M1Q 0.9215
315 97T 0.9214
316 8WO 0.9214
317 ADZ 0.9213
318 1SQ 0.9212
319 PDC 0.9212
320 J9Q 0.9212
321 4A3 0.9210
322 6TZ 0.9209
323 ES7 0.9207
324 ISZ 0.9207
325 BHO 0.9205
326 2HC 0.9203
327 1NP 0.9201
328 X0U 0.9200
329 EVA 0.9199
330 6BL 0.9198
331 BK9 0.9198
332 NVU 0.9198
333 1LM 0.9195
334 11S 0.9195
335 FA0 0.9195
336 24W 0.9194
337 2HO 0.9193
338 H7Y 0.9192
339 A7H 0.9190
340 ES9 0.9190
341 HQJ 0.9190
342 0FN 0.9190
343 FK1 0.9189
344 4AA 0.9189
345 ODO 0.9189
346 4M0 0.9188
347 FDB 0.9186
348 XX2 0.9185
349 VGD 0.9185
350 2KA 0.9184
351 173 0.9184
352 1HN 0.9183
353 KKN 0.9183
354 3J8 0.9183
355 6FZ 0.9183
356 9TZ 0.9182
357 7W4 0.9182
358 B57 0.9182
359 CLW 0.9181
360 MYJ 0.9180
361 93K 0.9180
362 3QV 0.9180
363 4BL 0.9180
364 3MB 0.9178
365 UNC 0.9177
366 JPZ 0.9176
367 4TU 0.9174
368 JAE 0.9174
369 EXD 0.9174
370 K3Q 0.9174
371 H4N 0.9173
372 F12 0.9172
373 F31 0.9172
374 4Z4 0.9171
375 1KP 0.9171
376 Q77 0.9171
377 5VL 0.9171
378 SXS 0.9170
379 DIU 0.9169
380 BHA 0.9169
381 F2W 0.9169
382 7ZE 0.9168
383 MS9 0.9168
384 5Q0 0.9166
385 ANF 0.9166
386 4BZ 0.9166
387 JBH 0.9165
388 ES2 0.9165
389 JU2 0.9165
390 X8D 0.9164
391 1P8 0.9164
392 Z5P 0.9163
393 NDH 0.9162
394 CFF 0.9162
395 PD2 0.9160
396 P92 0.9159
397 ES1 0.9158
398 5SG 0.9158
399 PZI 0.9158
400 R8V 0.9157
401 5IQ 0.9156
402 IWT 0.9155
403 MO8 0.9155
404 CHB 0.9155
405 ET2 0.9155
406 DNA 0.9154
407 CFI 0.9154
408 SG2 0.9153
409 N5J 0.9153
410 36R 0.9152
411 4YS 0.9152
412 3HM 0.9152
413 NOJ 0.9151
414 DRG 0.9149
415 HNQ 0.9149
416 JXW 0.9147
417 BZE 0.9147
418 P9P 0.9146
419 2H5 0.9146
420 PJW 0.9146
421 FOT 0.9145
422 3HA 0.9145
423 RXA 0.9145
424 9TW 0.9144
425 EUG 0.9143
426 DMD 0.9143
427 QBM 0.9142
428 5NU 0.9142
429 0W8 0.9139
430 IAC 0.9138
431 BZX 0.9137
432 OA3 0.9136
433 M78 0.9136
434 JA8 0.9135
435 DBH 0.9135
436 ONR 0.9135
437 GO8 0.9134
438 OVM 0.9132
439 14O 0.9132
440 54X 0.9130
441 1L5 0.9129
442 CIY 0.9129
443 O72 0.9128
444 SKF 0.9128
445 52C 0.9128
446 H5B 0.9125
447 AA 0.9125
448 LI6 0.9124
449 8XL 0.9124
450 S60 0.9124
451 ZVO 0.9121
452 5MB 0.9120
453 6M9 0.9119
454 M5H 0.9119
455 G5V 0.9118
456 QAT 0.9118
457 5H1 0.9116
458 DHK 0.9115
459 5CU 0.9115
460 GZL 0.9115
461 5NS 0.9114
462 C2U 0.9113
463 E5X 0.9112
464 NQ 0.9111
465 069 0.9109
466 ARP 0.9107
467 SKM 0.9107
468 5MI 0.9104
469 THA 0.9104
470 2ZQ 0.9103
471 INE 0.9103
472 GZ8 0.9102
473 37T 0.9102
474 HQY 0.9101
475 0RW 0.9101
476 EYK 0.9100
477 F60 0.9100
478 TEP 0.9100
479 42J 0.9100
480 JXN 0.9099
481 LNR 0.9099
482 3ID 0.9099
483 IJZ 0.9098
484 F4E 0.9097
485 BGU 0.9096
486 AMR 0.9094
487 J9W 0.9094
488 428 0.9094
489 UNJ 0.9094
490 TH7 0.9092
491 PPY 0.9092
492 7WR 0.9091
493 61M 0.9091
494 2AL 0.9090
495 8XQ 0.9089
496 7VJ 0.9089
497 3VX 0.9088
498 5JQ 0.9087
499 PNZ 0.9087
500 TPA 0.9087
501 GTR 0.9087
502 GJS 0.9085
503 8NY 0.9085
504 4BY 0.9085
505 I1E 0.9082
506 Q6T 0.9082
507 M6N 0.9081
508 MAJ 0.9081
509 DBJ 0.9080
510 5VM 0.9080
511 GM7 0.9079
512 VK3 0.9079
513 EMZ 0.9079
514 OMD 0.9079
515 3F0 0.9078
516 OW4 0.9077
517 CKA 0.9076
518 MSR 0.9076
519 4V2 0.9075
520 7NI 0.9075
521 PRZ 0.9074
522 APS 0.9073
523 EGR 0.9072
524 GCB 0.9071
525 DBX 0.9070
526 E35 0.9070
527 L22 0.9070
528 I6G 0.9070
529 4P5 0.9070
530 HJP 0.9070
531 3M0 0.9069
532 F05 0.9069
533 N91 0.9068
534 4XV 0.9068
535 270 0.9068
536 L5V 0.9067
537 SOE 0.9066
538 9AP 0.9065
539 XQG 0.9064
540 4XH 0.9064
541 LZ2 0.9064
542 FHC 0.9063
543 FE DB1 0.9062
544 L99 0.9062
545 PBA 0.9062
546 HDH 0.9061
547 6AI 0.9060
548 KYA 0.9059
549 X0W 0.9059
550 G12 0.9058
551 M1A 0.9057
552 AZA 0.9057
553 1DW 0.9056
554 1Z6 0.9056
555 2JK 0.9055
556 9DG 0.9055
557 KJY 0.9055
558 2MI 0.9054
559 680 0.9054
560 3WA 0.9054
561 4WL 0.9053
562 537 0.9050
563 LDR 0.9049
564 WOO 0.9048
565 HH8 0.9047
566 GUN 0.9047
567 6R8 0.9046
568 67N 0.9041
569 3ZB 0.9041
570 PFB 0.9041
571 PIY 0.9041
572 PIM 0.9041
573 TIY 0.9040
574 IHB 0.9039
575 JR2 0.9039
576 M0W 0.9038
577 ZME 0.9038
578 NAG 0.9038
579 HMH 0.9037
580 KOJ 0.9036
581 B2J 0.9036
582 CK2 0.9035
583 JUG 0.9034
584 4XR 0.9034
585 MB1 0.9033
586 BOA 0.9033
587 FBM 0.9031
588 57O 0.9031
589 DX3 0.9029
590 EV0 0.9029
591 717 0.9029
592 SWA 0.9029
593 7ME 0.9028
594 GZ2 0.9028
595 YH7 0.9027
596 HIS 0.9027
597 3MG 0.9027
598 R2P 0.9026
599 XM0 0.9026
600 RJY 0.9025
601 JFJ 0.9025
602 2K4 0.9024
603 XAN 0.9023
604 7MU 0.9022
605 8OZ 0.9021
606 GOJ 0.9018
607 ROI 0.9017
608 TYL 0.9017
609 D07 0.9015
610 QMS 0.9015
611 NLA 0.9015
612 M1H 0.9013
613 B21 0.9012
614 FGZ 0.9012
615 G1O 0.9012
616 4CS 0.9012
617 82I 0.9011
618 QAS 0.9010
619 IGA 0.9010
620 DK1 0.9009
621 5WU 0.9009
622 ANN 0.9009
623 RD4 0.9008
624 EQT 0.9008
625 X11 0.9007
626 GIV 0.9006
627 OTR 0.9006
628 091 0.9005
629 1XM 0.9005
630 149 0.9005
631 SAL 0.9004
632 HX4 0.9004
633 42C 0.9003
634 EJZ 0.9002
635 FP1 0.9001
636 BZJ 0.9001
637 NTZ 0.8999
638 R20 0.8999
639 2FY 0.8998
640 YSO 0.8997
641 OVP 0.8996
642 6AP 0.8995
643 8G0 0.8994
644 AKH 0.8994
645 8GC 0.8994
646 H4E 0.8991
647 4XS 0.8991
648 HX3 0.8990
649 GLA 0.8990
650 CXH 0.8989
651 2SX 0.8988
652 G2F 0.8987
653 QWN 0.8986
654 QUZ 0.8984
655 4VY 0.8983
656 0BP 0.8980
657 NBG 0.8979
658 DHR 0.8978
659 EYV 0.8977
660 G6D 0.8977
661 64C 0.8976
662 3Z7 0.8976
663 BRT 0.8975
664 261 0.8975
665 MT0 0.8974
666 2FG 0.8973
667 N1E 0.8972
668 WCE 0.8971
669 NCT 0.8970
670 DHY 0.8970
671 GF4 0.8970
672 6X9 0.8969
673 CPZ 0.8969
674 6Q3 0.8968
675 4ZA 0.8968
676 141 0.8968
677 ALL 0.8968
678 MD6 0.8967
679 SVN 0.8967
680 QPR 0.8966
681 3NT 0.8965
682 CCV 0.8964
683 K22 0.8964
684 AHR 0.8964
685 NPY 0.8963
686 IL5 0.8963
687 3BZ 0.8960
688 F9P 0.8960
689 ZHA 0.8959
690 JBK 0.8957
691 A2F 0.8956
692 25W 0.8956
693 QSH 0.8955
694 SNU 0.8955
695 NPO 0.8955
696 W81 0.8954
697 VOH 0.8953
698 S0E 0.8953
699 2A9 0.8950
700 6GU 0.8950
701 ZYQ 0.8949
702 PHB 0.8949
703 PHE 0.8949
704 P7Y 0.8948
705 6M4 0.8945
706 4LW 0.8945
707 BNL 0.8945
708 9EW 0.8944
709 B53 0.8943
710 KBB 0.8941
711 495 0.8941
712 JBQ 0.8941
713 TSR 0.8939
714 BE2 0.8939
715 AZG 0.8938
716 DE5 0.8937
717 23J 0.8937
718 EVF 0.8936
719 FUD 0.8935
720 4I8 0.8935
721 6E8 0.8935
722 8GK 0.8935
723 8MO 0.8935
724 HHA 0.8934
725 CTS 0.8934
726 QXW 0.8932
727 GCO 0.8932
728 BCP 0.8931
729 IOS 0.8930
730 NMJ 0.8929
731 HBD 0.8928
732 PAB 0.8926
733 GV9 0.8924
734 GLT 0.8924
735 GAB 0.8924
736 NDG 0.8923
737 SNO 0.8921
738 XDK 0.8920
739 OVV 0.8920
740 4SV 0.8920
741 RNO 0.8920
742 3R4 0.8919
743 5WT 0.8919
744 53C 0.8918
745 X48 0.8918
746 PHU 0.8917
747 KMY 0.8917
748 174 0.8917
749 55D 0.8914
750 OW7 0.8913
751 268 0.8913
752 ALE 0.8913
753 ORO 0.8912
754 6FB 0.8912
755 3HB 0.8911
756 7VP 0.8911
757 AEH 0.8909
758 M4T 0.8909
759 DX4 0.8908
760 EKZ 0.8907
761 H4B 0.8907
762 MQB 0.8907
763 3AB 0.8906
764 3U4 0.8906
765 ES6 0.8906
766 TZF 0.8905
767 GOX 0.8904
768 9UL 0.8901
769 ZZ8 0.8900
770 PBZ 0.8899
771 1VK 0.8899
772 ITE 0.8899
773 36E 0.8898
774 FYU 0.8897
775 X0V 0.8897
776 QIV 0.8896
777 4NO 0.8895
778 18N 0.8895
779 39A 0.8894
780 D3G 0.8894
781 D8Q 0.8891
782 OXC 0.8891
783 F6P 0.8891
784 0CU 0.8888
785 1U6 0.8888
786 5HN 0.8887
787 1GN 0.8887
788 4MA 0.8887
789 3DM 0.8883
790 DHC 0.8883
791 5LA 0.8882
792 ZSP 0.8880
793 BIK 0.8879
794 1XN 0.8878
795 LAO 0.8878
796 K25 0.8877
797 3DO 0.8876
798 TQU 0.8875
799 HZQ 0.8873
800 6M1 0.8873
801 MPV 0.8872
802 YRL 0.8871
803 1XA 0.8870
804 3Y7 0.8869
805 8H8 0.8867
806 826 0.8866
807 LQ2 0.8865
808 IPB 0.8864
809 AEF 0.8863
810 GYE 0.8863
811 UFV 0.8862
812 CFP 0.8861
813 2CK 0.8861
814 BIO 0.8860
815 2F6 0.8859
816 MBG 0.8859
817 4SX 0.8857
818 7AP 0.8856
819 PHH 0.8855
820 4ZC 0.8855
821 F5C 0.8855
822 0LH 0.8853
823 WSD 0.8852
824 MXD 0.8851
825 ASO 0.8850
826 IFP 0.8850
827 X05 0.8849
828 EUE 0.8849
829 K32 0.8849
830 AW5 0.8847
831 AC2 0.8847
832 GRE 0.8847
833 N2M 0.8846
834 HH5 0.8845
835 ASC 0.8845
836 290 0.8844
837 BQ2 0.8844
838 AC6 0.8843
839 KTA 0.8842
840 XDE 0.8841
841 DOR 0.8841
842 505 0.8840
843 1Y6 0.8840
844 DPT 0.8838
845 12B 0.8838
846 Y3L 0.8838
847 CSN 0.8838
848 A5E 0.8837
849 GDL 0.8837
850 KIB 0.8836
851 YZM 0.8836
852 DGJ 0.8835
853 2FX 0.8834
854 HBI 0.8833
855 M1Z 0.8831
856 GOE 0.8831
857 HNT 0.8831
858 K68 0.8831
859 MAN 0.8830
860 6DP 0.8828
861 4NM 0.8827
862 363 0.8827
863 TZM 0.8827
864 4AN 0.8824
865 5OF 0.8824
866 DA4 0.8818
867 NPA 0.8818
868 293 0.8816
869 MNP 0.8816
870 PXM 0.8814
871 X6X 0.8814
872 K37 0.8813
873 XXP 0.8813
874 4AB 0.8812
875 4FH 0.8810
876 Q02 0.8810
877 HA7 0.8810
878 BA5 0.8810
879 H2B 0.8808
880 L7T 0.8808
881 9PY 0.8808
882 GLO 0.8808
883 2CQ 0.8806
884 HPA 0.8806
885 ADE 0.8805
886 E1K 0.8805
887 GXL 0.8805
888 RMN 0.8805
889 X09 0.8804
890 FA3 0.8804
891 36Y 0.8802
892 EXO 0.8801
893 45L 0.8800
894 K6X 0.8800
895 XFE 0.8800
896 BMA 0.8798
897 BNF 0.8798
898 PAC 0.8798
899 549 0.8795
900 P72 0.8794
901 IBM 0.8793
902 MOK 0.8792
903 795 0.8790
904 SYR 0.8790
905 KBG 0.8789
906 774 0.8789
907 R6T 0.8789
908 JXZ 0.8789
909 G1P 0.8788
910 YQA 0.8786
911 8NB 0.8786
912 259 0.8785
913 TIU 0.8784
914 MIG 0.8782
915 36M 0.8782
916 ADA 0.8782
917 5GT 0.8780
918 1AL 0.8780
919 3BU 0.8779
920 APG 0.8778
921 P9E 0.8777
922 MFZ 0.8776
923 4NB 0.8776
924 HMU 0.8774
925 MYI 0.8774
926 0GZ 0.8773
927 23A 0.8773
928 9LI 0.8772
929 PO6 0.8771
930 6F0 0.8770
931 J9N 0.8770
932 SQ7 0.8770
933 FK8 0.8768
934 1X7 0.8767
935 GAF 0.8767
936 64E 0.8767
937 6MP 0.8767
938 ZEC 0.8767
939 DIE 0.8767
940 1WG 0.8766
941 SWD 0.8764
942 F1A 0.8763
943 PQK 0.8763
944 AIN 0.8763
945 3FH 0.8761
946 XXR 0.8760
947 HRM 0.8759
948 BTE 0.8758
949 2CZ 0.8757
950 BHQ 0.8753
951 HLD 0.8753
952 HPT 0.8752
953 M3E 0.8750
954 LYL 0.8750
955 TMG 0.8748
956 RUY 0.8748
957 D1X 0.8747
958 150 0.8746
959 QIC 0.8746
960 NSP 0.8745
961 1WC 0.8745
962 UEG 0.8743
963 S7J 0.8743
964 XM5 0.8742
965 LSA 0.8742
966 TXW 0.8741
967 HLR 0.8740
968 10L 0.8740
969 AC0 0.8740
970 JYT 0.8739
971 FAN 0.8736
972 AMG 0.8734
973 QX2 0.8733
974 IF7 0.8733
975 I3E 0.8732
976 NQH 0.8731
977 JXK 0.8729
978 06B 0.8729
979 OAA 0.8726
980 TCR 0.8726
981 LIP 0.8726
982 QWW 0.8725
983 GCW 0.8725
984 PX7 0.8724
985 7O4 0.8721
986 4A5 0.8721
987 5GV 0.8719
988 4V6 0.8716
989 AP4 0.8715
990 BP1 0.8715
991 JKE 0.8715
992 SQ4 0.8714
993 28S 0.8713
994 TRP 0.8712
995 9DA 0.8711
996 ZON 0.8710
997 FDK 0.8709
998 R8S 0.8709
999 K34 0.8708
1000 9HX 0.8707
1001 2D3 0.8706
1002 FRU 0.8705
1003 2LP 0.8704
1004 MZG 0.8704
1005 O2A 0.8703
1006 QSB 0.8702
1007 0FR 0.8701
1008 SYA 0.8699
1009 FH2 0.8697
1010 P3K 0.8697
1011 4XF 0.8695
1012 IFL 0.8695
1013 IQ5 0.8691
1014 51R 0.8691
1015 MWJ 0.8691
1016 1WD 0.8691
1017 NHG 0.8691
1018 M6Z 0.8690
1019 1P3 0.8690
1020 7FF 0.8689
1021 45C 0.8688
1022 14J 0.8686
1023 5JC 0.8684
1024 5VJ 0.8681
1025 M3H 0.8680
1026 DEW 0.8680
1027 FQX 0.8678
1028 2ZV 0.8678
1029 TAG 0.8678
1030 1X8 0.8677
1031 RAT 0.8677
1032 KW8 0.8674
1033 PKU 0.8672
1034 HCI 0.8672
1035 TBS 0.8671
1036 7WA 0.8670
1037 7HP 0.8670
1038 F4Z 0.8669
1039 K17 0.8668
1040 ABF 0.8668
1041 GT0 0.8666
1042 TC7 0.8661
1043 ZWZ 0.8660
1044 3TJ 0.8660
1045 NCA 0.8660
1046 FBT 0.8658
1047 JTA 0.8657
1048 AMH 0.8657
1049 CXF 0.8657
1050 MCT 0.8656
1051 BR9 0.8655
1052 BHS 0.8655
1053 OTD 0.8653
1054 PM6 0.8652
1055 KJ5 0.8652
1056 ETV 0.8650
1057 ES4 0.8650
1058 27Y 0.8650
1059 ZZT 0.8650
1060 GNV 0.8647
1061 SW7 0.8643
1062 CKU 0.8642
1063 4JJ 0.8639
1064 M1E 0.8638
1065 K44 0.8637
1066 0NX 0.8637
1067 4CL 0.8636
1068 S76 0.8636
1069 GOG 0.8635
1070 AH8 0.8635
1071 TH0 0.8634
1072 2YU 0.8633
1073 3OC 0.8632
1074 ONZ 0.8632
1075 BEN 0.8632
1076 NOY 0.8631
1077 BEZ 0.8631
1078 BNT 0.8630
1079 GLY PRO 0.8629
1080 XCZ 0.8627
1081 QUS 0.8627
1082 A13 0.8627
1083 XQK 0.8625
1084 L46 0.8619
1085 ZXD 0.8614
1086 4HO 0.8614
1087 NGO 0.8613
1088 BSP 0.8612
1089 3GQ 0.8612
1090 M4S 0.8611
1091 1QV 0.8610
1092 XBZ 0.8610
1093 OK7 0.8609
1094 4ZE 0.8609
1095 FQI 0.8608
1096 7WV 0.8608
1097 FBV 0.8608
1098 PYD 0.8608
1099 IBF 0.8607
1100 NIO 0.8607
1101 BAM 0.8605
1102 G4D 0.8603
1103 FBW 0.8601
1104 1MC 0.8601
1105 XYL 0.8600
1106 6J9 0.8599
1107 2AC 0.8599
1108 ADK 0.8598
1109 MWM 0.8597
1110 YPN 0.8596
1111 M5N 0.8593
1112 DYA 0.8592
1113 FHN 0.8591
1114 QOS 0.8585
1115 DMJ 0.8585
1116 NBZ 0.8585
1117 QQQ 0.8582
1118 EV2 0.8580
1119 HDL 0.8579
1120 XYD 0.8577
1121 878 0.8576
1122 URF 0.8574
1123 I7B 0.8571
1124 ST3 0.8571
1125 JZ2 0.8569
1126 HT4 0.8569
1127 TM7 0.8566
1128 NFM 0.8565
1129 MHK 0.8565
1130 5F5 0.8562
1131 M3Q 0.8562
1132 TFU 0.8560
1133 2MP 0.8556
1134 A1U 0.8555
1135 9RW 0.8554
1136 ZZA 0.8554
1137 5MH 0.8554
1138 275 0.8552
1139 34A 0.8551
1140 FA6 0.8550
1141 JRB 0.8545
1142 3MA 0.8544
1143 22L 0.8544
1144 FBU 0.8542
1145 MNS 0.8533
1146 7ZC 0.8530
1147 GJZ 0.8527
1148 BCF 0.8516
1149 BBF 0.8515
1150 K5W 0.8514
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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