Receptor
PDB id Resolution Class Description Source Keywords
4n5d 2.06 Å EC: 3.4.22.59 TAILORING SMALL MOLECULES FOR AN ALLOSTERIC SITE ON PROCASPA HOMO SAPIENS PROCASPSE-6 CASPASE-6 ZYMOGEN ALLOSTERIC STRUCTURE BASED DESIGN CYSTEINE PROTEASE HYDROLASE-HYDROLASE INHIBITOR CO
Ref.: TAILORING SMALL MOLECULES FOR AN ALLOSTERIC SITE ON PROCASPASE-6. CHEMMEDCHEM V. 9 73 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MPD B:402;
A:403;
 Invalid;
Invalid;
 none;
none;
 submit data
118.174 C6 H14 O2 C[C@@...
PO4 A:402;
B:401;
 Invalid;
Invalid;
 none;
none;
 submit data
94.971 O4 P [O-]P...
2FQ A:401;
 Valid;
 none;
 Kd = 607 uM
190.202 C9 H10 N4 O Cc1nc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4HVA 2.07 Å EC: 3.4.22.59 MECHANISTIC AND STRUCTURAL UNDERSTANDING OF UNCOMPETITIVE IN OF CASPASE-6 HOMO SAPIENS CASPASE-6 ACTIVE VEID UNCOMPETITIVE INHIBITION TERNARY CCASPASE PROTEASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: MECHANISTIC AND STRUCTURAL UNDERSTANDING OF UNCOMPE INHIBITORS OF CASPASE-6. PLOS ONE V. 7 50864 2012
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4N6G - 2GQ C13 H14 N2 O c1ccc2c(c1....
2 4NBL Kd = 0.47 uM 2J6 C16 H13 F N4 O c1cc(c(nc1....
3 3S70 - ACE VAL GLU ILE ASA n/a n/a
4 4N7M Kd = 3.4 uM 2GQ C13 H14 N2 O c1ccc2c(c1....
5 4NBN Kd = 44 uM 2J7 C18 H18 N4 O2 c1ccc(c(c1....
6 4HVA Kd = 1.3 uM 4HV C23 H22 N2 O5 COc1ccc(cc....
7 4N7J - 2GQ C13 H14 N2 O c1ccc2c(c1....
8 4N5D Kd = 607 uM 2FQ C9 H10 N4 O Cc1ncc2c(n....
9 4NBK Kd = 136 uM 2J5 C13 H14 N2 O Cc1cccnc1N....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4N6G - 2GQ C13 H14 N2 O c1ccc2c(c1....
2 4NBL Kd = 0.47 uM 2J6 C16 H13 F N4 O c1cc(c(nc1....
3 3S70 - ACE VAL GLU ILE ASA n/a n/a
4 4N7M Kd = 3.4 uM 2GQ C13 H14 N2 O c1ccc2c(c1....
5 4NBN Kd = 44 uM 2J7 C18 H18 N4 O2 c1ccc(c(c1....
6 4HVA Kd = 1.3 uM 4HV C23 H22 N2 O5 COc1ccc(cc....
7 4N7J - 2GQ C13 H14 N2 O c1ccc2c(c1....
8 4N5D Kd = 607 uM 2FQ C9 H10 N4 O Cc1ncc2c(n....
9 4NBK Kd = 136 uM 2J5 C13 H14 N2 O Cc1cccnc1N....
50% Homology Family (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 6WI4 - LYS LEU PHE SER PHE GLY GLY n/a n/a
2 5IAR - ACE ASP GLU VAL ASP 0QE DTT n/a n/a
3 4EHF - ACE ASP GLU VAL ASP 0QE n/a n/a
4 4QUL - ACE ASP GLU VAL ASP 0QE n/a n/a
5 5IBR - ACE ASP GLU VAL ASP 0QE n/a n/a
6 4QUB - ACE ASP GLU VAL ASP 0QE n/a n/a
7 4QUA - ACE ASP GLU VAL ASP 0QE n/a n/a
8 4QTX - ACE ASP GLU VAL ASP 0QE n/a n/a
9 5IAS - ACE ASP GLU VAL ASP 0QE n/a n/a
10 4QUJ - ACE ASP GLU VAL ASP 0QE n/a n/a
11 4QU0 - ACE ASP GLU VAL ASP 0QE n/a n/a
12 4EHA - ACE ASP GLU VAL ASP 0QE n/a n/a
13 4QUI - ACE ASP GLU VAL ASP 0QE n/a n/a
14 5IAE - ACE ASP GLU VAL ASP 0QE n/a n/a
15 5I9T - ACE ASP GLU VAL ASP 0QE n/a n/a
16 5IAB - ACE ASP GLU VAL ASP 0QE n/a n/a
17 4QUD - ACE ASP GLU VAL ASP 0QE n/a n/a
18 4QU8 - ACE ASP GLU VAL ASP 0QE n/a n/a
19 4QU5 - ACE ASP GLU VAL ASP 0QE n/a n/a
20 5IAG - ASP ASP ASP MET n/a n/a
21 5IAK - ACE ASP GLU VAL ASP 0QE n/a n/a
22 4EHL - ACE ASP GLU VAL ASP 0QE n/a n/a
23 4QUE - ACE ASP GLU VAL ASP 0QE n/a n/a
24 4EHH - ACE ASP GLU VAL ASP 0QE n/a n/a
25 4EHK - ACE ASP GLU VAL ASP 0QE n/a n/a
26 5I9B - ACE ASP GLU VAL ASP 0QE n/a n/a
27 4EHD - ACE ASP GLU VAL ASP 0QE n/a n/a
28 4EHN - ACE ASP GLU VAL ASP 0QE n/a n/a
29 5IBP - ACE ASP GLU VAL ASP 0QE n/a n/a
30 4QUH - ACE ASP GLU VAL ASP 0QE n/a n/a
31 5IAJ - ACE ASP GLU VAL ASP 0QE n/a n/a
32 4QU9 - ACE ASP GLU VAL ASP 0QE n/a n/a
33 4QUG - ACE ASP GLU VAL ASP 0QE n/a n/a
34 5IBC - ACE ASP GLU VAL ASP 0QE n/a n/a
35 4N6G - 2GQ C13 H14 N2 O c1ccc2c(c1....
36 4NBL Kd = 0.47 uM 2J6 C16 H13 F N4 O c1cc(c(nc1....
37 3S70 - ACE VAL GLU ILE ASA n/a n/a
38 4N7M Kd = 3.4 uM 2GQ C13 H14 N2 O c1ccc2c(c1....
39 4NBN Kd = 44 uM 2J7 C18 H18 N4 O2 c1ccc(c(c1....
40 4HVA Kd = 1.3 uM 4HV C23 H22 N2 O5 COc1ccc(cc....
41 4N7J - 2GQ C13 H14 N2 O c1ccc2c(c1....
42 4N5D Kd = 607 uM 2FQ C9 H10 N4 O Cc1ncc2c(n....
43 4NBK Kd = 136 uM 2J5 C13 H14 N2 O Cc1cccnc1N....
44 3PD1 - ACE ASP GLU VAL ASP 0QE n/a n/a
45 2J33 - ACE ASP GLU VAL ASP 0QE n/a n/a
46 3PD0 - ACE ASP GLU VAL ASP 0QE n/a n/a
47 2J30 - ACE ASP GLU VAL ASP 0QE n/a n/a
48 3ITN - ACE ASP GLU VAL ASP 0QE n/a n/a
49 4QTY - ACE ASP GLU VAL ASP 0QE n/a n/a
50 2J32 - ACE ASP GLU VAL ASP 0QE n/a n/a
51 3PCX - ACE ASP GLU VAL ASP 0QE n/a n/a
52 3DEH ic50 = 149 nM RXA C9 H5 N O3 c1ccc2c(c1....
53 2J31 - ACE ASP GLU VAL ASP 0QE n/a n/a
54 3DEK ic50 = 27 nM RXD C21 H18 F N3 O6 c1cc(cc(c1....
55 5JFT - ACE ASP GLU VAL ASP 0QE n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2FQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 2FQ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 2FQ; Similar ligands found: 1006
No: Ligand Similarity coefficient
1 0FO 0.9800
2 0N7 0.9793
3 OTW 0.9772
4 QX4 0.9765
5 XHP 0.9765
6 MVN 0.9761
7 DQU 0.9759
8 HQD 0.9759
9 B62 0.9736
10 AZ9 0.9725
11 6ME 0.9724
12 44W 0.9719
13 15E 0.9692
14 44V 0.9650
15 PH2 0.9649
16 JG8 0.9637
17 3PF 0.9598
18 5QY 0.9598
19 D48 0.9594
20 BEA 0.9581
21 UFO 0.9577
22 LI6 0.9571
23 HHR 0.9571
24 G3E 0.9563
25 AJV 0.9562
26 209 0.9561
27 9KT 0.9561
28 0P6 0.9558
29 TOF 0.9553
30 KUF 0.9549
31 8CM 0.9548
32 ZYR 0.9547
33 3QV 0.9546
34 N8Y 0.9543
35 SE2 0.9534
36 CH9 0.9531
37 J5I 0.9530
38 CWS 0.9526
39 APZ 0.9525
40 2AK 0.9522
41 AA 0.9521
42 CLZ 0.9516
43 MUA 0.9509
44 BGC 0.9506
45 H33 0.9493
46 QBK 0.9488
47 AJ2 0.9488
48 J9Q 0.9487
49 XAZ 0.9484
50 8MO 0.9484
51 4JQ 0.9483
52 97T 0.9481
53 9R5 0.9480
54 MQN 0.9477
55 FDR 0.9474
56 TIY 0.9464
57 AJY 0.9464
58 PE0 0.9459
59 7B3 0.9452
60 PRF 0.9451
61 GJP 0.9450
62 ANF 0.9450
63 DIN 0.9448
64 Q24 0.9447
65 AQO 0.9446
66 J9W 0.9446
67 GZL 0.9446
68 0TU 0.9445
69 E7S 0.9445
70 1KP 0.9444
71 1HN 0.9443
72 M5K 0.9441
73 PEY 0.9440
74 EN1 0.9440
75 9FL 0.9439
76 H5B 0.9438
77 M6N 0.9435
78 BPY 0.9435
79 Q71 0.9434
80 4RU 0.9433
81 TTL 0.9432
82 URC 0.9429
83 6RQ 0.9428
84 M1Q 0.9422
85 MEW 0.9420
86 12Q 0.9419
87 39O 0.9415
88 4YO 0.9414
89 BDP 0.9413
90 4HC 0.9412
91 BPU 0.9411
92 IV2 0.9409
93 AN3 0.9408
94 AZ8 0.9407
95 DPT 0.9400
96 NAG 0.9400
97 1IT 0.9399
98 GNM 0.9398
99 9CA 0.9398
100 THA 0.9395
101 A7W 0.9394
102 BTY 0.9393
103 MRW 0.9392
104 2K8 0.9387
105 KJH 0.9383
106 GLC 0.9380
107 HQT 0.9378
108 B5D 0.9368
109 3Z8 0.9367
110 20J 0.9367
111 344 0.9365
112 4ME 0.9365
113 LDR 0.9364
114 5RO 0.9360
115 KJU 0.9360
116 F2W 0.9359
117 8HC 0.9357
118 KT7 0.9352
119 92K 0.9351
120 PYQ 0.9351
121 0FK 0.9350
122 5QX 0.9348
123 2HQ 0.9348
124 0XT 0.9345
125 E7Z 0.9345
126 30G 0.9340
127 Z5P 0.9337
128 I6G 0.9335
129 DPZ 0.9332
130 4MU 0.9331
131 TGX 0.9330
132 6VD 0.9330
133 7W1 0.9328
134 CFF 0.9328
135 PJW 0.9328
136 RXA 0.9325
137 TT4 0.9323
138 NQ 0.9319
139 8TX 0.9318
140 86J 0.9316
141 8W9 0.9315
142 75K 0.9314
143 VK3 0.9314
144 B55 0.9312
145 0F9 0.9311
146 INE 0.9309
147 Q77 0.9309
148 4AA 0.9308
149 DRG 0.9308
150 ROI 0.9306
151 R8V 0.9306
152 6QF 0.9304
153 DX3 0.9303
154 V1T 0.9302
155 2LY 0.9301
156 92P 0.9301
157 SKA 0.9298
158 5JQ 0.9297
159 3J8 0.9297
160 9AP 0.9296
161 HKD 0.9295
162 KJY 0.9295
163 FLV 0.9292
164 226 0.9292
165 8XL 0.9292
166 PXL 0.9292
167 5VL 0.9292
168 E1K 0.9288
169 VXX 0.9287
170 15L 0.9282
171 0HO 0.9282
172 C2Y 0.9280
173 0JD 0.9280
174 COU 0.9278
175 B60 0.9277
176 52C 0.9276
177 JU2 0.9274
178 A29 0.9271
179 OCH 0.9271
180 TEP 0.9271
181 37T 0.9271
182 15N 0.9271
183 4Z4 0.9270
184 03V 0.9269
185 HHS 0.9268
186 EA1 0.9266
187 DRL 0.9266
188 6NT 0.9265
189 12T 0.9263
190 MAQ 0.9261
191 8NX 0.9260
192 1A7 0.9260
193 X8D 0.9256
194 2AQ 0.9255
195 3IT 0.9255
196 N0Z 0.9253
197 28N 0.9252
198 5GU 0.9250
199 JTH 0.9250
200 ES5 0.9249
201 K32 0.9249
202 5TY 0.9247
203 DMD 0.9246
204 5JL 0.9243
205 L22 0.9242
206 C9E 0.9242
207 2D0 0.9242
208 GDE 0.9242
209 27B 0.9242
210 B57 0.9241
211 N2I 0.9241
212 8ZE 0.9241
213 G3F 0.9241
214 4FS 0.9240
215 TTY 0.9240
216 M4E 0.9237
217 PQ0 0.9237
218 0HN 0.9236
219 CTS 0.9236
220 ESI 0.9236
221 8S0 0.9233
222 H42 0.9232
223 4V2 0.9229
224 3NY 0.9229
225 NID 0.9228
226 J9T 0.9226
227 QX2 0.9225
228 3ID 0.9222
229 1F1 0.9221
230 K22 0.9220
231 2ZM 0.9220
232 HQJ 0.9220
233 2HU 0.9218
234 8WO 0.9218
235 2EC 0.9218
236 GF4 0.9217
237 LT2 0.9213
238 E1T 0.9211
239 FBB 0.9210
240 X0U 0.9210
241 3HA 0.9210
242 NDG 0.9209
243 SKM 0.9209
244 ANC 0.9208
245 AY4 0.9207
246 MO8 0.9206
247 DNF 0.9206
248 DNC 0.9206
249 PHH 0.9205
250 8WT 0.9203
251 ODO 0.9203
252 GVG 0.9203
253 KDV 0.9201
254 HBO 0.9199
255 ABI 0.9199
256 FHC 0.9199
257 3A9 0.9198
258 4TU 0.9198
259 GTR 0.9198
260 QWW 0.9197
261 4NC 0.9197
262 JB5 0.9197
263 32X 0.9196
264 5NI 0.9194
265 68A 0.9194
266 5RN 0.9193
267 MS9 0.9192
268 5WY 0.9192
269 6NI 0.9190
270 ICO 0.9190
271 XQ0 0.9189
272 CK2 0.9185
273 2KA 0.9184
274 537 0.9183
275 FA0 0.9180
276 DOB 0.9180
277 G12 0.9179
278 QPR 0.9179
279 8IG 0.9177
280 F31 0.9176
281 INO 0.9176
282 BHA 0.9175
283 ZZZ 0.9171
284 6BL 0.9171
285 5WV 0.9171
286 7WR 0.9170
287 K2T 0.9169
288 D07 0.9168
289 GCS 0.9168
290 4M0 0.9167
291 VNL 0.9166
292 4A3 0.9164
293 DHK 0.9164
294 DHB 0.9161
295 64C 0.9161
296 7MU 0.9160
297 P9P 0.9159
298 8XQ 0.9159
299 BIK 0.9158
300 ONR 0.9158
301 93K 0.9156
302 BZ2 0.9155
303 K37 0.9154
304 BZJ 0.9154
305 X11 0.9152
306 6FB 0.9150
307 4KL 0.9147
308 FHB 0.9146
309 DBH 0.9145
310 XM5 0.9145
311 9UL 0.9145
312 L5V 0.9144
313 HIS 0.9143
314 5CU 0.9142
315 H4E 0.9139
316 1SQ 0.9135
317 KKN 0.9135
318 HA5 0.9135
319 2HO 0.9131
320 MYJ 0.9131
321 069 0.9131
322 NNO 0.9131
323 NDH 0.9130
324 NOJ 0.9127
325 XX2 0.9125
326 3HM 0.9124
327 2FY 0.9122
328 FDB 0.9122
329 7VS 0.9122
330 TWO 0.9121
331 9DG 0.9121
332 QSH 0.9121
333 5NU 0.9120
334 JP2 0.9120
335 7ME 0.9120
336 FE DB1 0.9120
337 IWT 0.9119
338 6TZ 0.9119
339 3M0 0.9117
340 24W 0.9115
341 BZE 0.9115
342 GHM 0.9114
343 3F0 0.9114
344 M0Q 0.9114
345 M0W 0.9114
346 XIY 0.9114
347 EGR 0.9113
348 CTL 0.9113
349 CHB 0.9112
350 JB8 0.9109
351 X05 0.9108
352 2F6 0.9108
353 Q6T 0.9105
354 JDN 0.9104
355 4YS 0.9102
356 M1H 0.9102
357 9ZE 0.9100
358 CWM 0.9099
359 HRM 0.9096
360 3MG 0.9096
361 9TW 0.9095
362 ISN 0.9095
363 M2K 0.9095
364 1NP 0.9094
365 0W1 0.9094
366 JBK 0.9093
367 NDM 0.9091
368 0FN 0.9091
369 4JT 0.9090
370 J6W 0.9089
371 54X 0.9089
372 5SG 0.9088
373 ES7 0.9085
374 AZA 0.9085
375 PFB 0.9085
376 LDP 0.9084
377 42C 0.9083
378 9MG 0.9082
379 TBS 0.9082
380 GM7 0.9080
381 K44 0.9080
382 DHQ 0.9080
383 5IQ 0.9079
384 O72 0.9079
385 HNQ 0.9078
386 ES1 0.9078
387 2BG 0.9078
388 2ZQ 0.9077
389 GJS 0.9076
390 JBH 0.9074
391 K97 0.9074
392 1M2 0.9073
393 GZ8 0.9073
394 7ZE 0.9072
395 428 0.9070
396 5Q0 0.9069
397 1QP 0.9068
398 HQY 0.9067
399 ADZ 0.9067
400 X0W 0.9066
401 GUN 0.9064
402 173 0.9064
403 XAN 0.9063
404 HJP 0.9063
405 R20 0.9062
406 FOT 0.9061
407 ET2 0.9060
408 DNA 0.9058
409 4BL 0.9058
410 ESP 0.9057
411 JPZ 0.9056
412 HLZ 0.9056
413 DEE 0.9054
414 IGA 0.9053
415 K17 0.9053
416 KTJ 0.9053
417 B56 0.9051
418 ES0 0.9051
419 YH7 0.9050
420 1LQ 0.9049
421 495 0.9048
422 QWN 0.9046
423 ES2 0.9046
424 OA3 0.9046
425 ICB 0.9045
426 2AL 0.9043
427 N5J 0.9042
428 AKH 0.9041
429 Q7A 0.9041
430 GAL 0.9041
431 L99 0.9040
432 F4E 0.9039
433 94W 0.9039
434 7B4 0.9039
435 36R 0.9038
436 ESX 0.9038
437 JUG 0.9037
438 ZVO 0.9037
439 CCV 0.9033
440 0W8 0.9033
441 SHG 0.9033
442 QAT 0.9032
443 IHB 0.9031
444 ASC 0.9030
445 S60 0.9030
446 2HC 0.9030
447 141 0.9028
448 JA8 0.9028
449 PX7 0.9028
450 FGZ 0.9027
451 5XC 0.9024
452 CLW 0.9024
453 F12 0.9023
454 JR2 0.9022
455 G1O 0.9021
456 QXW 0.9021
457 2H5 0.9021
458 ZME 0.9019
459 FQX 0.9017
460 3R4 0.9016
461 JBQ 0.9016
462 CKA 0.9016
463 K25 0.9015
464 680 0.9015
465 UFV 0.9014
466 BCU 0.9013
467 BGU 0.9011
468 VGD 0.9011
469 HHA 0.9010
470 LNR 0.9010
471 1P7 0.9009
472 Q88 0.9009
473 1P8 0.9009
474 BZ3 0.9009
475 A2F 0.9008
476 5NE 0.9007
477 7NI 0.9007
478 6FZ 0.9007
479 UNC 0.9006
480 JLZ 0.9006
481 MT0 0.9005
482 MPV 0.9005
483 5OB 0.9004
484 FUD 0.9004
485 XDE 0.9003
486 IJZ 0.9001
487 7MX 0.9001
488 7W4 0.9000
489 1LM 0.9000
490 KYA 0.8999
491 SRO 0.8998
492 5NS 0.8997
493 67N 0.8996
494 0BP 0.8994
495 I3A 0.8991
496 5VM 0.8991
497 BA5 0.8991
498 6KT 0.8991
499 QAS 0.8990
500 BSP 0.8989
501 SYV 0.8986
502 4BY 0.8986
503 DHC 0.8986
504 LGC 0.8986
505 MSR 0.8984
506 6X9 0.8982
507 X0V 0.8982
508 B21 0.8979
509 DX4 0.8979
510 JF2 0.8979
511 GCU 0.8979
512 AP4 0.8978
513 12B 0.8978
514 HZQ 0.8978
515 K6X 0.8977
516 CWJ 0.8976
517 3WA 0.8975
518 4WL 0.8975
519 TYL 0.8975
520 GXY 0.8974
521 4AN 0.8973
522 64E 0.8973
523 1VK 0.8973
524 4P5 0.8972
525 EXD 0.8969
526 JAW 0.8968
527 CFP 0.8968
528 C2U 0.8968
529 AZG 0.8966
530 4XH 0.8965
531 GO2 0.8965
532 LKA 0.8964
533 1XM 0.8963
534 BOA 0.8962
535 6AP 0.8961
536 GDL 0.8961
537 3Y7 0.8960
538 6GU 0.8958
539 UNJ 0.8958
540 UAN 0.8958
541 7I2 0.8955
542 PNZ 0.8953
543 7HQ 0.8952
544 E35 0.8952
545 NGO 0.8952
546 X09 0.8950
547 SXS 0.8950
548 5RG 0.8949
549 3ZB 0.8949
550 JND 0.8949
551 SLS 0.8948
552 5M0 0.8947
553 ORO 0.8944
554 NCT 0.8943
555 HX4 0.8942
556 PIY 0.8942
557 ANN 0.8941
558 4SX 0.8941
559 FF2 0.8939
560 GTQ 0.8938
561 APS 0.8938
562 M1A 0.8938
563 CFI 0.8937
564 54G 0.8936
565 290 0.8936
566 5B1 0.8936
567 ARP 0.8933
568 DBJ 0.8930
569 IAC 0.8930
570 LZ2 0.8928
571 HH8 0.8927
572 7VP 0.8925
573 GLA 0.8925
574 2JK 0.8924
575 PIM 0.8924
576 GO8 0.8923
577 N3W 0.8923
578 9FE 0.8921
579 ABV 0.8919
580 BK9 0.8915
581 4ZA 0.8913
582 5MK 0.8912
583 ITE 0.8912
584 BCP 0.8912
585 NIZ 0.8912
586 B53 0.8910
587 JTA 0.8909
588 F9Y 0.8908
589 EMZ 0.8906
590 NTZ 0.8904
591 3HB 0.8903
592 WSD 0.8903
593 1U6 0.8903
594 EVA 0.8902
595 8NB 0.8902
596 PDC 0.8902
597 N2Z 0.8901
598 XXP 0.8901
599 JXN 0.8899
600 ZZ8 0.8898
601 IFP 0.8897
602 NGT 0.8897
603 N91 0.8897
604 KMY 0.8897
605 M1Z 0.8896
606 4XV 0.8896
607 3MB 0.8893
608 5VJ 0.8893
609 M3E 0.8888
610 SHA 0.8888
611 ISZ 0.8888
612 4VS 0.8887
613 OVM 0.8886
614 GNV 0.8886
615 G2F 0.8885
616 SX1 0.8884
617 4CS 0.8884
618 HTP 0.8883
619 BNL 0.8882
620 BHO 0.8881
621 4I8 0.8880
622 42A 0.8878
623 2O6 0.8878
624 1WC 0.8878
625 582 0.8878
626 TSS 0.8875
627 KIB 0.8873
628 6E8 0.8873
629 NPY 0.8872
630 RM1 0.8872
631 HH5 0.8871
632 XQK 0.8871
633 4V6 0.8871
634 GIV 0.8871
635 JF1 0.8870
636 SWA 0.8869
637 0CU 0.8867
638 QUZ 0.8867
639 M6Z 0.8866
640 36E 0.8863
641 PRL 0.8862
642 AX3 0.8861
643 GIM 0.8860
644 4FH 0.8860
645 DIU 0.8860
646 DK1 0.8859
647 CNI 0.8859
648 EQT 0.8859
649 1GN 0.8859
650 SNO 0.8859
651 LL1 0.8859
652 AX7 0.8858
653 X48 0.8858
654 GAB 0.8856
655 OXC 0.8855
656 SOE 0.8855
657 39A 0.8853
658 NGW 0.8852
659 GYE 0.8851
660 MWP 0.8850
661 AEZ 0.8850
662 4NB 0.8849
663 363 0.8847
664 MR1 0.8847
665 MT5 0.8846
666 D3G 0.8846
667 K8X 0.8845
668 EKZ 0.8844
669 LQ2 0.8844
670 SG2 0.8843
671 3AB 0.8843
672 1XA 0.8843
673 NGA 0.8842
674 SNU 0.8841
675 6M9 0.8841
676 GCB 0.8840
677 9LI 0.8840
678 V55 0.8839
679 3VX 0.8839
680 0FR 0.8837
681 QSB 0.8836
682 4M4 0.8836
683 ADA 0.8835
684 XFE 0.8835
685 PHU 0.8834
686 PHE 0.8834
687 WCE 0.8834
688 MAJ 0.8834
689 PRZ 0.8834
690 GAF 0.8834
691 SYR 0.8833
692 18N 0.8833
693 M1E 0.8831
694 2A9 0.8830
695 OQC 0.8830
696 F0J 0.8829
697 F6P 0.8829
698 7FF 0.8825
699 270 0.8823
700 2MI 0.8822
701 549 0.8821
702 YQA 0.8821
703 ASO 0.8820
704 82I 0.8820
705 PQK 0.8818
706 8GC 0.8817
707 G6D 0.8817
708 LZM 0.8815
709 3FH 0.8815
710 PPY 0.8815
711 I3E 0.8815
712 6CS 0.8814
713 KGK 0.8814
714 49O 0.8813
715 4HM 0.8813
716 4XS 0.8812
717 SOR 0.8812
718 SKF 0.8812
719 1XN 0.8811
720 1Z6 0.8810
721 IPB 0.8810
722 3DM 0.8810
723 GV9 0.8808
724 ENO 0.8808
725 D1X 0.8808
726 CPZ 0.8807
727 AW5 0.8806
728 149 0.8806
729 MD6 0.8805
730 F1A 0.8803
731 BRT 0.8800
732 53C 0.8800
733 1X7 0.8797
734 TZF 0.8797
735 OVV 0.8797
736 IBM 0.8797
737 JAE 0.8796
738 5LA 0.8795
739 SVN 0.8795
740 XM0 0.8795
741 HNT 0.8794
742 3GQ 0.8792
743 5HN 0.8792
744 PHB 0.8792
745 J9N 0.8791
746 06B 0.8790
747 RNO 0.8790
748 N2M 0.8789
749 1DW 0.8789
750 LSA 0.8786
751 PD2 0.8785
752 QIC 0.8785
753 EV0 0.8781
754 GI3 0.8781
755 3NT 0.8778
756 LAO 0.8777
757 PBA 0.8777
758 HBD 0.8777
759 NPO 0.8777
760 DOR 0.8775
761 091 0.8774
762 AH9 0.8774
763 F5C 0.8774
764 PXM 0.8773
765 8OZ 0.8773
766 W81 0.8773
767 9TZ 0.8772
768 OW4 0.8770
769 PAB 0.8770
770 5GV 0.8770
771 BZX 0.8768
772 5WX 0.8768
773 TXW 0.8767
774 HLD 0.8765
775 FBM 0.8764
776 PBZ 0.8763
777 293 0.8761
778 KW8 0.8760
779 L7T 0.8757
780 BE2 0.8757
781 EUG 0.8756
782 23J 0.8756
783 14O 0.8755
784 SAL 0.8755
785 MOK 0.8754
786 GRE 0.8754
787 F60 0.8754
788 39U 0.8753
789 3BZ 0.8752
790 795 0.8751
791 F05 0.8751
792 KIF 0.8750
793 WS7 0.8750
794 DHR 0.8749
795 MVL 0.8748
796 6M1 0.8748
797 KJ5 0.8747
798 X6X 0.8747
799 K5W 0.8746
800 MXD 0.8746
801 5H1 0.8745
802 TH7 0.8745
803 67X 0.8744
804 OMD 0.8744
805 2FG 0.8743
806 2K4 0.8741
807 TAG 0.8740
808 FH2 0.8740
809 TPA 0.8740
810 7MK 0.8739
811 5WT 0.8738
812 A5E 0.8737
813 826 0.8737
814 2GQ 0.8736
815 3TJ 0.8736
816 BHQ 0.8735
817 EJZ 0.8735
818 JXZ 0.8734
819 A7H 0.8734
820 IPD 0.8734
821 JXW 0.8733
822 ZXD 0.8733
823 GOX 0.8732
824 GSY 0.8732
825 TMG 0.8732
826 HA7 0.8730
827 0GZ 0.8729
828 5MI 0.8729
829 3R6 0.8729
830 AIN 0.8729
831 259 0.8728
832 2CK 0.8728
833 4MA 0.8728
834 GNY 0.8727
835 4NM 0.8726
836 CN0 0.8726
837 5GT 0.8726
838 GXL 0.8725
839 4VY 0.8724
840 BNT 0.8723
841 MHK 0.8723
842 1L5 0.8723
843 MBG 0.8722
844 6AI 0.8720
845 2D3 0.8720
846 61M 0.8720
847 BIO 0.8719
848 FA3 0.8717
849 I4D 0.8716
850 4NO 0.8716
851 11S 0.8714
852 A13 0.8714
853 4LW 0.8714
854 0RW 0.8713
855 MT8 0.8713
856 HMH 0.8711
857 IOS 0.8711
858 AC6 0.8710
859 6R8 0.8706
860 174 0.8705
861 6F0 0.8704
862 FBG 0.8704
863 RPQ 0.8703
864 FK1 0.8703
865 XCG 0.8703
866 A2G 0.8703
867 DBX 0.8702
868 F9P 0.8702
869 5MB 0.8701
870 1Y6 0.8699
871 5V7 0.8699
872 H4N 0.8698
873 UEG 0.8697
874 SVD 0.8696
875 E7R 0.8694
876 878 0.8693
877 ES9 0.8691
878 7WV 0.8691
879 JY4 0.8691
880 NVU 0.8690
881 E3D 0.8690
882 SN4 0.8688
883 M5N 0.8687
884 QBM 0.8686
885 YSO 0.8686
886 0NX 0.8685
887 MXX 0.8685
888 NSG 0.8684
889 F5B 0.8684
890 JBE 0.8683
891 9EW 0.8682
892 ALE 0.8682
893 YTX 0.8681
894 505 0.8680
895 JKZ 0.8680
896 6M4 0.8680
897 JYB 0.8680
898 HLR 0.8678
899 6DP 0.8676
900 Z82 0.8675
901 OCZ 0.8675
902 KTW 0.8674
903 P72 0.8673
904 Q02 0.8673
905 S0E 0.8672
906 774 0.8670
907 4SV 0.8668
908 LIP 0.8666
909 9TF 0.8665
910 JKE 0.8665
911 F69 0.8664
912 261 0.8664
913 329 0.8663
914 FDK 0.8661
915 EYK 0.8660
916 QQQ 0.8659
917 KBB 0.8659
918 FYU 0.8658
919 EVF 0.8658
920 2ZV 0.8657
921 3U4 0.8657
922 K34 0.8656
923 DNQ 0.8655
924 7VJ 0.8655
925 717 0.8654
926 DQN 0.8653
927 GZ2 0.8652
928 36Y 0.8650
929 N7I 0.8649
930 NLA 0.8646
931 TRP 0.8645
932 ES6 0.8643
933 ZYQ 0.8640
934 VM1 0.8639
935 55D 0.8639
936 QIV 0.8638
937 UQ 0.8636
938 DX1 0.8633
939 DGJ 0.8633
940 AMR 0.8630
941 MAN 0.8630
942 8NY 0.8629
943 II4 0.8628
944 MNS 0.8625
945 3AE 0.8625
946 JBZ 0.8622
947 KLK 0.8622
948 KOJ 0.8619
949 MS0 0.8619
950 LEL 0.8618
951 NRA 0.8618
952 FBU 0.8616
953 BTE 0.8615
954 A1Y 0.8614
955 1X8 0.8612
956 51R 0.8610
957 SWD 0.8610
958 FP1 0.8609
959 ADE 0.8606
960 5CL 0.8605
961 BQ2 0.8603
962 QUS 0.8601
963 78Y 0.8601
964 MFZ 0.8601
965 HBI 0.8600
966 OVP 0.8598
967 2QC 0.8598
968 L46 0.8594
969 8H8 0.8593
970 ZEC 0.8593
971 BBK 0.8590
972 THM 0.8589
973 LT8 0.8588
974 4XF 0.8588
975 HPA 0.8588
976 DDU 0.8585
977 XQG 0.8583
978 SYA 0.8582
979 10L 0.8581
980 JRB 0.8581
981 GCW 0.8580
982 6MP 0.8580
983 PHT 0.8576
984 23A 0.8576
985 FBW 0.8575
986 IFL 0.8574
987 BP1 0.8571
988 FBT 0.8570
989 H70 0.8570
990 H7Y 0.8570
991 C8O 0.8567
992 IBF 0.8563
993 7WA 0.8561
994 M4S 0.8557
995 EMO 0.8557
996 M3H 0.8553
997 LR5 0.8546
998 PO6 0.8545
999 GLT 0.8540
1000 FBF 0.8533
1001 1WG 0.8533
1002 BBF 0.8532
1003 2CZ 0.8531
1004 NOY 0.8519
1005 WOO 0.8517
1006 7HP 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4HVA; Ligand: 4HV; 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: 4hva.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4HVA; Ligand: 4HV; 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: 4hva.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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