Receptor
PDB id Resolution Class Description Source Keywords
3AIW 2.4 Å EC: 3.2.1.21 CRYSTAL STRUCTURE OF BETA-GLUCOSIDASE IN RYE COMPLEXED WITH FLUOROGLUCOSIDE AND DINITROPHENOL SECALE CEREALE TIM BARREL HYDROLASE
Ref.: ACTIVE-SITE ARCHITECTURE OF BENZOXAZINONE-GLUCOSIDE BETA-D-GLUCOSIDASES IN TRITICEAE PLANT SCI. V. 180 268 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DNF A:800;
 Valid;
 none;
 submit data
184.106 C6 H4 N2 O5 c1cc(...
G2F A:700;
 Invalid;
 none;
 submit data
182.147 C6 H11 F O5 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3AIQ 1.9 Å EC: 3.2.1.21 CRYSTAL STRUCTURE OF BETA-GLUCOSIDASE IN WHEAT COMPLEXED WIT AGLYCONE DIMBOA TRITICUM AESTIVUM TIM BARREL GLYCOSIDASES HYDROLASE
Ref.: ACTIVE-SITE ARCHITECTURE OF BENZOXAZINONE-GLUCOSIDE BETA-D-GLUCOSIDASES IN TRITICEAE PLANT SCI. V. 180 268 2011
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 3AIV - HBO C9 H9 N O5 COc1ccc2c(....
2 3AIQ - HBO C9 H9 N O5 COc1ccc2c(....
3 3AIR - DNF C6 H4 N2 O5 c1cc(c(cc1....
4 3AIS - HBK BGC n/a n/a
5 3AIW - DNF C6 H4 N2 O5 c1cc(c(cc1....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 3AIV - HBO C9 H9 N O5 COc1ccc2c(....
2 3AIQ - HBO C9 H9 N O5 COc1ccc2c(....
3 3AIR - DNF C6 H4 N2 O5 c1cc(c(cc1....
4 3AIS - HBK BGC n/a n/a
5 3AIW - DNF C6 H4 N2 O5 c1cc(c(cc1....
50% Homology Family (89)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1W9D ic50 = 0.58 mM SEH C10 H13 N O4 S2 CCS/C(=NOS....
2 1W9B ic50 = 0.99 mM CGT C15 H21 N O8 S2 c1ccc(cc1)....
3 1E6Q Ki = 0.7 mM NTZ C6 H10 N4 O4 C([C@@H]1[....
4 1E70 - G2F C6 H11 F O5 C([C@@H]1[....
5 1E71 - ASC C6 H8 O6 C([C@@H]([....
6 2WXD ic50 = 3.3 uM E18 C12 H18 N2 O4 S2 CN(C)CCS/C....
7 1E72 Ki = 0.6 mM GOX C6 H12 N2 O5 C([C@@H]1[....
8 1E6X - LGC C6 H10 O6 C([C@@H]1[....
9 1E73 - ASC C6 H8 O6 C([C@@H]([....
10 1E6S Ki = 0.6 mM GOX C6 H12 N2 O5 C([C@@H]1[....
11 1BGG - GCO C6 H12 O7 C([C@H]([C....
12 6R4K Ki = 51 uM JSK C17 H25 N7 O4 [H]/N=N/NC....
13 1E4I - NFG C12 H13 F N2 O9 c1cc(c(cc1....
14 4EK7 - BGC C6 H12 O6 C([C@@H]1[....
15 3U57 - DH8 C27 H34 N2 O8 C/C=C/1[C@....
16 3U5Y - SCG C17 H24 O10 COC(=O)C1=....
17 5OKK - BGP C6 H13 O9 P C([C@@H]1[....
18 5OKE - BG6 C6 H13 O9 P C([C@@H]1[....
19 5OKR - BG6 C6 H13 O9 P C([C@@H]1[....
20 5OKG - BG6 C6 H13 O9 P C([C@@H]1[....
21 5OKQ - BGP C6 H13 O9 P C([C@@H]1[....
22 5OKS - BG6 C6 H13 O9 P C([C@@H]1[....
23 2ZOX - OLA C18 H34 O2 CCCCCCCCC=....
24 2E9M - OLA C18 H34 O2 CCCCCCCCC=....
25 2E9L - OLA C18 H34 O2 CCCCCCCCC=....
26 3AI0 - PNW C12 H15 N O8 c1cc(ccc1[....
27 4IPN - SGC RTG n/a n/a
28 5N6T - 8P2 C7 H11 N2 O4 C([C@@H]1[....
29 2WBG Ki = 35.2 uM LGS C15 H28 N2 O5 CCCCCCCC/N....
30 2J7H Kd = 65 nM AZF C5 H12 N2 O3 C1[C@H]([C....
31 2J7D Kd = 74 nM GI1 C10 H17 N2 O6 CO[C@@H](c....
32 1W3J Kd = 484 nM OXZ C5 H11 N O4 C1[C@H]([C....
33 2J7C Ki = 10.7 nM IDE C15 H19 N3 O4 c1ccc(cc1)....
34 2J79 Kd = 1.1 uM GTL C6 H12 N2 O5 C([C@@H]1[....
35 2WC3 Ki = 0.83 uM AM3 C15 H28 N2 O5 CCCCCCCC/N....
36 2J75 - NOY C6 H13 N O4 C1[C@@H]([....
37 2VRJ Kd = 0.5 uM NCW C15 H28 N2 O4 S CCCCCCCCNC....
38 2J7F Kd = 445 nM GI3 C9 H13 N2 O6 c1c([nH]c2....
39 2J77 Kd = 12.9 uM NOJ C6 H13 N O4 C1[C@@H]([....
40 5OSS Kd = 28.3 uM AEZ C8 H12 N2 O4 c1[nH]c2c(....
41 1UZ1 Ki = 130 nM IFL C6 H11 N O4 C1[C@@H]([....
42 2CBU Kd = 2.1 uM CTS C8 H15 N O4 C1C[N@]2C[....
43 2J7G Kd = 100 nM GI4 C10 H15 N2 O6 c1c([nH]c2....
44 5N6S - 8P5 C13 H23 N4 O5 C(CCN=[N+]....
45 2WC4 Kd = 5.1 uM AMF C15 H28 N2 O4 S CCCCCCCCN=....
46 2CBV Kd = 3.3 uM CGB C7 H13 N O4 C1C[C@]2([....
47 1OIF Ka = 51450000 M^-1 IFM C6 H13 N O3 C1[C@@H]([....
48 2CES Kd = 56 nM GIM C8 H13 N2 O4 c1c[n+]2c(....
49 2J7E Kd = 48 nM GI2 C11 H17 N2 O6 COC(=O)Cc1....
50 2J78 Kd = 384 nM GOX C6 H12 N2 O5 C([C@@H]1[....
51 1OIM Ka = 210000 M^-1 NOJ C6 H13 N O4 C1[C@@H]([....
52 2CET Kd = 9.6 nM PGI C16 H21 N2 O4 c1ccc(cc1)....
53 2J7B Kd = 240 nM NTZ C6 H10 N4 O4 C([C@@H]1[....
54 4JIE - BMA C6 H12 O6 C([C@@H]1[....
55 3AIV - HBO C9 H9 N O5 COc1ccc2c(....
56 3AIQ - HBO C9 H9 N O5 COc1ccc2c(....
57 3AIR - DNF C6 H4 N2 O5 c1cc(c(cc1....
58 3AIS - HBK BGC n/a n/a
59 3AIW - DNF C6 H4 N2 O5 c1cc(c(cc1....
60 4PTX - BGC C6 H12 O6 C([C@@H]1[....
61 4PTV - SGC BGC n/a n/a
62 3GNP - SOG C14 H28 O5 S CCCCCCCCS[....
63 6RJM - GLC C6 H12 O6 C([C@@H]1[....
64 6RK2 - 6GR C13 H16 O8 c1ccc(c(c1....
65 6RJO - SA0 C13 H18 O7 c1ccc(c(c1....
66 5AYI - BGC C6 H12 O6 C([C@@H]1[....
67 1E56 - BGC HBO n/a n/a
68 1E55 Ki = 76 uM DHR C8 H7 N O2 c1cc(ccc1[....
69 1V08 Ki ~ 1 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
70 1E4N - HBO C9 H9 N O5 COc1ccc2c(....
71 1H49 - HBO BGC n/a n/a
72 5GNX - BGC C6 H12 O6 C([C@@H]1[....
73 5GNY - BGC C6 H12 O6 C([C@@H]1[....
74 5GNZ - BGC C6 H12 O6 C([C@@H]1[....
75 2E40 - LGC C6 H10 O6 C([C@@H]1[....
76 3F5K Ki = 0.024 mM BGC BGC BGC BGC BGC n/a n/a
77 7BZM - GIM C8 H13 N2 O4 c1c[n+]2c(....
78 4QLL Ka = 2400 M^-1 BGC BGC BGC BGC n/a n/a
79 4QLJ - BGC BGC BGC BGC n/a n/a
80 3F5J Ki = 0.052 mM BGC BGC BGC BGC n/a n/a
81 4QLK Ka = 1800 M^-1 BGC BGC BGC BGC n/a n/a
82 3F5L Ki = 0.191 mM BGC BGC n/a n/a
83 3PTQ - NFG C12 H13 F N2 O9 c1cc(c(cc1....
84 4PBG - BGP C6 H13 O9 P C([C@@H]1[....
85 3CMJ - SRT C4 H6 O6 [C@H]([C@H....
86 5YIF - 8VR C9 H14 O8 C[C@]1(OC[....
87 1V03 - BGC CCN IPH n/a n/a
88 2O9T - BGC C6 H12 O6 C([C@@H]1[....
89 2O9R Ki = 21 mM SGC BGC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DNF; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 DNF 1 1
2 4NC 0.527778 0.772727
3 MYJ 0.5 0.804878
4 P9P 0.487179 0.75
5 F0M 0.44186 0.755556
6 TNF 0.432432 1
7 DNC 0.425 0.909091
8 CSN 0.413043 0.614035
9 NPA 0.413043 0.804348
Similar Ligands (3D)
Ligand no: 1; Ligand: DNF; Similar ligands found: 1205
No: Ligand Similarity coefficient
1 PDC 0.9817
2 VNL 0.9755
3 PD2 0.9742
4 HA5 0.9733
5 8G0 0.9726
6 8HC 0.9713
7 0FK 0.9711
8 ICO 0.9693
9 5RN 0.9681
10 5WY 0.9668
11 6R8 0.9663
12 F31 0.9636
13 MB1 0.9625
14 4ME 0.9625
15 5RO 0.9619
16 VXX 0.9615
17 15N 0.9615
18 0JD 0.9603
19 E1T 0.9584
20 9FE 0.9581
21 V55 0.9579
22 3R6 0.9574
23 0HO 0.9571
24 C2Y 0.9565
25 F0J 0.9561
26 PEY 0.9559
27 F12 0.9555
28 N8Y 0.9553
29 92P 0.9553
30 BDP 0.9551
31 42C 0.9543
32 7I2 0.9542
33 BEA 0.9542
34 Q6T 0.9541
35 7ZE 0.9536
36 6NT 0.9529
37 0HN 0.9526
38 KYA 0.9522
39 9ZE 0.9521
40 7WR 0.9520
41 4HM 0.9518
42 ESI 0.9515
43 4KL 0.9514
44 NID 0.9512
45 ZYR 0.9509
46 EA1 0.9507
47 3MB 0.9506
48 KTW 0.9504
49 92K 0.9501
50 0GZ 0.9499
51 2HU 0.9499
52 HLD 0.9499
53 3NY 0.9496
54 BK9 0.9494
55 2O6 0.9493
56 TWO 0.9493
57 2LY 0.9492
58 INE 0.9490
59 8XQ 0.9487
60 0F9 0.9487
61 1F1 0.9486
62 2ZM 0.9482
63 ABI 0.9474
64 OVM 0.9473
65 OW4 0.9466
66 5NI 0.9462
67 TTY 0.9461
68 3A9 0.9460
69 6CS 0.9453
70 SLS 0.9452
71 QPR 0.9450
72 AY4 0.9450
73 4TU 0.9449
74 DHB 0.9449
75 JAW 0.9449
76 EUG 0.9447
77 4M4 0.9447
78 AEH 0.9446
79 5OB 0.9444
80 J9Q 0.9441
81 15L 0.9438
82 GTQ 0.9432
83 30G 0.9429
84 OW7 0.9425
85 XX3 0.9425
86 6NI 0.9424
87 9FL 0.9422
88 5RG 0.9420
89 HNQ 0.9414
90 1IT 0.9411
91 BZJ 0.9409
92 JDN 0.9407
93 CWS 0.9405
94 RD4 0.9403
95 JB8 0.9403
96 9TW 0.9402
97 GV9 0.9402
98 7NI 0.9402
99 54G 0.9402
100 2ZQ 0.9402
101 QSB 0.9398
102 FHB 0.9397
103 9CA 0.9396
104 AKH 0.9394
105 V1T 0.9394
106 28N 0.9394
107 97T 0.9392
108 4A3 0.9391
109 INO 0.9391
110 9AP 0.9390
111 LDR 0.9389
112 XX2 0.9386
113 JLZ 0.9384
114 CH9 0.9384
115 4AV 0.9381
116 KUF 0.9381
117 5M0 0.9380
118 8WT 0.9376
119 M5H 0.9376
120 CHB 0.9375
121 JG8 0.9374
122 3HM 0.9372
123 0W1 0.9372
124 A29 0.9370
125 93K 0.9369
126 7VS 0.9367
127 8CM 0.9365
128 N2I 0.9360
129 8ZE 0.9360
130 TTL 0.9360
131 H7Y 0.9359
132 EOL 0.9356
133 0P6 0.9355
134 12Q 0.9354
135 Z5P 0.9354
136 BPU 0.9353
137 KJH 0.9353
138 NNO 0.9352
139 BZ3 0.9348
140 I3A 0.9348
141 IHB 0.9347
142 GHM 0.9346
143 M2K 0.9345
144 ONR 0.9343
145 AZ9 0.9343
146 M1H 0.9343
147 JP2 0.9342
148 8S0 0.9342
149 2HO 0.9340
150 BGC 0.9339
151 0N7 0.9337
152 HQT 0.9337
153 FOT 0.9335
154 9TZ 0.9335
155 OTD 0.9331
156 FE DB1 0.9329
157 UAN 0.9329
158 TVP 0.9328
159 7W1 0.9325
160 5XC 0.9324
161 5MK 0.9322
162 SRO 0.9322
163 VOH 0.9321
164 6BL 0.9320
165 GCU 0.9313
166 GZL 0.9312
167 UNC 0.9311
168 M0Q 0.9311
169 HQD 0.9309
170 5QX 0.9308
171 XQG 0.9302
172 RXA 0.9300
173 UFO 0.9299
174 209 0.9299
175 2K8 0.9299
176 GAL 0.9298
177 61M 0.9297
178 5VL 0.9297
179 GCS 0.9293
180 GLC 0.9293
181 M1E 0.9292
182 X8D 0.9290
183 IV2 0.9288
184 7HQ 0.9285
185 PRZ 0.9284
186 M4E 0.9282
187 DIN 0.9281
188 4MU 0.9280
189 1HN 0.9280
190 DRG 0.9280
191 KT7 0.9279
192 GJP 0.9278
193 9KT 0.9277
194 LI6 0.9276
195 1X7 0.9275
196 EXD 0.9274
197 OMD 0.9274
198 A7W 0.9273
199 GDE 0.9272
200 4Z4 0.9271
201 M0W 0.9271
202 OVP 0.9270
203 42A 0.9268
204 1P7 0.9267
205 RM1 0.9266
206 3PF 0.9265
207 VK3 0.9263
208 SG2 0.9262
209 AJY 0.9261
210 2D3 0.9261
211 4A5 0.9260
212 MNP 0.9258
213 4CS 0.9258
214 E7Z 0.9257
215 HQJ 0.9255
216 4AA 0.9253
217 IJZ 0.9250
218 2EC 0.9249
219 JND 0.9248
220 O2A 0.9247
221 1AL 0.9246
222 8WO 0.9244
223 IOS 0.9240
224 8XL 0.9239
225 ZZ8 0.9238
226 NVU 0.9238
227 6VD 0.9238
228 TSS 0.9238
229 SKA 0.9238
230 TRC 0.9237
231 6TZ 0.9237
232 DHK 0.9236
233 463 0.9235
234 6KT 0.9233
235 8W9 0.9232
236 GTR 0.9232
237 IAC 0.9230
238 Q88 0.9229
239 5QY 0.9227
240 SX1 0.9226
241 APZ 0.9225
242 C2U 0.9224
243 091 0.9223
244 1A7 0.9221
245 FLV 0.9220
246 K3Q 0.9219
247 SKM 0.9218
248 HHS 0.9216
249 FDR 0.9216
250 COU 0.9215
251 HLZ 0.9212
252 OCH 0.9212
253 BCU 0.9212
254 NLA 0.9212
255 LZM 0.9211
256 AJV 0.9210
257 TSR 0.9210
258 H33 0.9210
259 ES0 0.9209
260 3IT 0.9207
261 KDV 0.9206
262 AZ8 0.9206
263 2FQ 0.9206
264 PJW 0.9205
265 3Z8 0.9205
266 03V 0.9202
267 5NE 0.9202
268 SYV 0.9201
269 LGC 0.9201
270 ES5 0.9200
271 86J 0.9200
272 GCB 0.9198
273 NTZ 0.9198
274 3HB 0.9197
275 D48 0.9197
276 JB5 0.9196
277 JF1 0.9196
278 3MG 0.9195
279 J5I 0.9194
280 LT2 0.9194
281 JTH 0.9193
282 HIS 0.9193
283 BZ2 0.9191
284 2JK 0.9190
285 6QF 0.9190
286 3J8 0.9190
287 G3E 0.9190
288 L5V 0.9188
289 SE2 0.9188
290 PQK 0.9187
291 4HC 0.9187
292 52C 0.9187
293 XQK 0.9186
294 C9E 0.9185
295 G3F 0.9185
296 2HQ 0.9184
297 6DP 0.9184
298 3HA 0.9184
299 ZME 0.9182
300 LEL 0.9182
301 2AL 0.9181
302 0W8 0.9180
303 URC 0.9179
304 MRW 0.9179
305 KJU 0.9177
306 EVA 0.9176
307 GO2 0.9176
308 N3W 0.9175
309 QSH 0.9174
310 AQO 0.9174
311 GAB 0.9174
312 X0V 0.9174
313 3AB 0.9171
314 2HC 0.9171
315 4RU 0.9170
316 JF2 0.9170
317 5HN 0.9168
318 PXL 0.9168
319 SOR 0.9166
320 MAJ 0.9165
321 2BG 0.9165
322 ESP 0.9165
323 5NS 0.9165
324 WCE 0.9164
325 CWJ 0.9164
326 L99 0.9163
327 G5V 0.9163
328 4FH 0.9163
329 ANC 0.9162
330 GYE 0.9162
331 6XI 0.9161
332 DBH 0.9161
333 GF4 0.9160
334 FGZ 0.9159
335 94W 0.9159
336 5B1 0.9159
337 DNA 0.9159
338 2KA 0.9159
339 J9T 0.9158
340 NCD 0.9156
341 K97 0.9155
342 RNT 0.9154
343 1SQ 0.9154
344 BPY 0.9154
345 G12 0.9152
346 BRT 0.9151
347 1NP 0.9151
348 CKA 0.9151
349 H42 0.9151
350 AJ2 0.9148
351 JR2 0.9148
352 ANF 0.9146
353 226 0.9146
354 8GK 0.9144
355 SHG 0.9144
356 N1E 0.9143
357 ESX 0.9143
358 AA 0.9143
359 5SG 0.9142
360 1LM 0.9141
361 VM1 0.9141
362 HJP 0.9140
363 R8V 0.9140
364 JBH 0.9139
365 AX3 0.9139
366 3ID 0.9138
367 7FF 0.9137
368 JPZ 0.9137
369 PE0 0.9135
370 N5J 0.9135
371 J9W 0.9134
372 NGO 0.9133
373 DA4 0.9133
374 OVV 0.9133
375 F9Y 0.9132
376 LDP 0.9132
377 EYK 0.9131
378 NGT 0.9131
379 173 0.9131
380 NMJ 0.9131
381 EWG 0.9130
382 7MX 0.9130
383 3NT 0.9129
384 2D0 0.9129
385 DK1 0.9128
386 4YS 0.9128
387 SKF 0.9127
388 KBB 0.9124
389 R8S 0.9124
390 0LH 0.9124
391 5IQ 0.9124
392 M6N 0.9123
393 R20 0.9123
394 QMS 0.9121
395 AIN 0.9121
396 CTL 0.9121
397 6RQ 0.9120
398 FIX 0.9120
399 CKU 0.9120
400 I7B 0.9119
401 2AQ 0.9119
402 EN1 0.9118
403 GZ2 0.9118
404 MWP 0.9117
405 68A 0.9117
406 ORO 0.9117
407 2UZ 0.9116
408 ASC 0.9114
409 X11 0.9114
410 HKD 0.9114
411 PH2 0.9114
412 R9Y 0.9113
413 IFP 0.9112
414 1QP 0.9112
415 N91 0.9112
416 53C 0.9112
417 QX4 0.9112
418 4FS 0.9110
419 8NX 0.9109
420 DBX 0.9108
421 12T 0.9108
422 39O 0.9108
423 24W 0.9105
424 GNM 0.9104
425 MUA 0.9104
426 RAT 0.9102
427 NAG 0.9102
428 5F5 0.9102
429 NOJ 0.9102
430 MR1 0.9102
431 Q24 0.9101
432 X0W 0.9100
433 PYQ 0.9099
434 MHK 0.9098
435 67N 0.9097
436 M5K 0.9096
437 67X 0.9095
438 EKZ 0.9095
439 3F0 0.9095
440 O72 0.9095
441 0FO 0.9094
442 4NO 0.9093
443 TOF 0.9093
444 LZ2 0.9093
445 DBJ 0.9092
446 TEP 0.9092
447 CWM 0.9091
448 ODO 0.9090
449 R1P 0.9089
450 HQY 0.9089
451 TQU 0.9088
452 JBK 0.9088
453 FA0 0.9088
454 TT4 0.9088
455 MQB 0.9087
456 3M0 0.9085
457 AH8 0.9084
458 37T 0.9084
459 75K 0.9083
460 5TY 0.9083
461 069 0.9082
462 B62 0.9082
463 GVG 0.9082
464 3BZ 0.9081
465 M1Z 0.9080
466 8TX 0.9079
467 8VN 0.9079
468 DQU 0.9079
469 BZE 0.9078
470 SYA 0.9077
471 XAN 0.9077
472 XHP 0.9075
473 KKN 0.9075
474 7ME 0.9074
475 1DW 0.9073
476 ICB 0.9073
477 NQ 0.9073
478 BTY 0.9072
479 OA3 0.9072
480 GOX 0.9071
481 4XV 0.9070
482 CLZ 0.9070
483 XAZ 0.9069
484 OTW 0.9069
485 2FY 0.9068
486 4M0 0.9068
487 MEW 0.9067
488 4JQ 0.9067
489 DOB 0.9066
490 3AL 0.9066
491 OXC 0.9065
492 BHA 0.9065
493 4WL 0.9065
494 DEW 0.9063
495 4SX 0.9062
496 ASO 0.9061
497 XIY 0.9061
498 9MG 0.9060
499 NDH 0.9059
500 ES1 0.9059
501 BIK 0.9058
502 2F6 0.9058
503 CFF 0.9057
504 8GC 0.9057
505 APS 0.9056
506 9UL 0.9056
507 B55 0.9055
508 H5B 0.9055
509 5OF 0.9055
510 344 0.9054
511 0XT 0.9053
512 5WX 0.9053
513 HHR 0.9052
514 DIU 0.9051
515 MS9 0.9050
516 27B 0.9050
517 NDG 0.9050
518 I7A 0.9049
519 SHA 0.9049
520 3Z7 0.9047
521 LKA 0.9046
522 BQ2 0.9045
523 5JQ 0.9044
524 XDK 0.9044
525 7MU 0.9044
526 DRL 0.9043
527 G2F 0.9043
528 LNR 0.9042
529 45L 0.9042
530 4BL 0.9041
531 L22 0.9041
532 M5N 0.9041
533 CIT 0.9040
534 FF2 0.9039
535 PFL 0.9039
536 5GU 0.9038
537 TIU 0.9037
538 M3Q 0.9036
539 M1A 0.9036
540 HA7 0.9033
541 9R5 0.9033
542 IFL 0.9032
543 MQN 0.9032
544 ARP 0.9032
545 SR4 0.9031
546 FRU 0.9031
547 54X 0.9031
548 1L5 0.9030
549 B60 0.9028
550 6J9 0.9023
551 MAQ 0.9023
552 34D 0.9022
553 N2M 0.9022
554 DMD 0.9021
555 XEN 0.9020
556 32X 0.9020
557 IL5 0.9019
558 XQ0 0.9019
559 AN3 0.9019
560 SXS 0.9018
561 FLC 0.9017
562 KTA 0.9017
563 JAE 0.9017
564 B57 0.9017
565 THA 0.9017
566 1Z8 0.9016
567 DHQ 0.9016
568 F2W 0.9014
569 4P5 0.9014
570 ET2 0.9010
571 K22 0.9010
572 AMR 0.9009
573 6ME 0.9009
574 FUD 0.9008
575 44V 0.9007
576 692 0.9007
577 4XS 0.9006
578 MT0 0.9005
579 GM7 0.9004
580 4ZC 0.9004
581 CLW 0.9001
582 DPZ 0.9001
583 ES7 0.8999
584 64C 0.8999
585 6LW 0.8998
586 JUG 0.8997
587 AZA 0.8997
588 HX3 0.8996
589 8OZ 0.8995
590 B56 0.8995
591 I6G 0.8994
592 5GT 0.8994
593 II6 0.8993
594 ES2 0.8993
595 D1X 0.8992
596 DOR 0.8992
597 3DM 0.8991
598 LL1 0.8991
599 NBG 0.8990
600 AHR 0.8990
601 A7H 0.8989
602 MVN 0.8989
603 JF4 0.8989
604 QAT 0.8988
605 BZX 0.8988
606 428 0.8988
607 ZXD 0.8987
608 3WA 0.8986
609 GJS 0.8985
610 FBB 0.8985
611 7B4 0.8985
612 44W 0.8984
613 QBS 0.8981
614 X09 0.8979
615 12B 0.8979
616 PBA 0.8978
617 1KP 0.8977
618 QBK 0.8977
619 DPT 0.8977
620 ZYQ 0.8976
621 YTX 0.8976
622 M6Z 0.8974
623 2FG 0.8974
624 JYB 0.8973
625 SVD 0.8973
626 TYL 0.8973
627 K2T 0.8971
628 XXP 0.8971
629 2H5 0.8971
630 3DO 0.8970
631 R2P 0.8969
632 3QV 0.8968
633 7B3 0.8968
634 8WQ 0.8967
635 NIZ 0.8967
636 1VK 0.8967
637 ISN 0.8966
638 2AK 0.8966
639 5VM 0.8965
640 PFB 0.8965
641 NOY 0.8964
642 5WV 0.8964
643 5XB 0.8964
644 N7I 0.8964
645 5H1 0.8963
646 ADZ 0.8963
647 7A3 0.8961
648 14O 0.8961
649 82I 0.8960
650 4BY 0.8960
651 EV0 0.8959
652 SWA 0.8959
653 FDB 0.8958
654 EMZ 0.8958
655 15E 0.8958
656 3FH 0.8958
657 4I8 0.8957
658 ICT 0.8956
659 5MI 0.8954
660 GZ8 0.8953
661 ZB1 0.8952
662 M78 0.8951
663 NFQ 0.8949
664 M1Q 0.8949
665 2SX 0.8948
666 PRF 0.8947
667 AW5 0.8946
668 RJY 0.8945
669 4XR 0.8945
670 5JL 0.8944
671 HBO 0.8944
672 1P8 0.8944
673 8WZ 0.8944
674 B4O 0.8943
675 6FZ 0.8943
676 MPV 0.8943
677 NDM 0.8942
678 DHY 0.8942
679 VGD 0.8942
680 QWW 0.8941
681 PIY 0.8941
682 57O 0.8941
683 5NU 0.8940
684 PIM 0.8940
685 J6W 0.8939
686 4V2 0.8938
687 R8Y 0.8936
688 AKG 0.8936
689 KOJ 0.8935
690 1M2 0.8935
691 4JT 0.8934
692 YSO 0.8934
693 KLK 0.8933
694 DIE 0.8933
695 5CU 0.8932
696 GLN 0.8932
697 FBG 0.8931
698 36R 0.8930
699 23J 0.8929
700 1LQ 0.8929
701 1X8 0.8928
702 5MB 0.8928
703 6AI 0.8927
704 JFJ 0.8927
705 CN0 0.8926
706 MO8 0.8925
707 K32 0.8925
708 XXG 0.8924
709 537 0.8923
710 4ZA 0.8922
711 495 0.8921
712 ABV 0.8921
713 1U6 0.8921
714 FXH 0.8920
715 AZM 0.8920
716 UFV 0.8919
717 51R 0.8919
718 NLQ 0.8918
719 UNJ 0.8918
720 EVF 0.8918
721 11S 0.8918
722 8IG 0.8916
723 582 0.8916
724 5VJ 0.8915
725 6M9 0.8915
726 2K4 0.8914
727 KDF 0.8914
728 PX7 0.8913
729 4XY 0.8912
730 JA8 0.8911
731 7W4 0.8911
732 AL0 0.8911
733 ES6 0.8911
734 G1O 0.8911
735 E35 0.8910
736 CTS 0.8910
737 S0E 0.8910
738 OGA 0.8910
739 8NB 0.8909
740 GO8 0.8908
741 3Y7 0.8908
742 A2F 0.8907
743 G4D 0.8906
744 3BU 0.8906
745 39U 0.8905
746 AM1 0.8905
747 M4T 0.8905
748 SYR 0.8904
749 E7S 0.8904
750 CXH 0.8903
751 IGA 0.8902
752 KIB 0.8902
753 IQ5 0.8901
754 JKZ 0.8901
755 MOK 0.8900
756 KJY 0.8900
757 REL 0.8900
758 PXM 0.8900
759 N2Z 0.8899
760 MZM 0.8898
761 MSR 0.8898
762 SOE 0.8897
763 A13 0.8896
764 TIY 0.8896
765 QX2 0.8895
766 GLT 0.8893
767 PPY 0.8893
768 D07 0.8892
769 DEE 0.8892
770 ES9 0.8891
771 QAS 0.8890
772 HXX 0.8890
773 NCT 0.8890
774 TH7 0.8890
775 363 0.8889
776 ADA 0.8887
777 261 0.8886
778 AHN 0.8885
779 36E 0.8885
780 HZQ 0.8885
781 3XX 0.8885
782 Q71 0.8885
783 8U3 0.8884
784 P9E 0.8884
785 H4N 0.8883
786 FBW 0.8882
787 HJ7 0.8880
788 MBG 0.8880
789 FP1 0.8880
790 9DG 0.8880
791 FHC 0.8880
792 CFI 0.8879
793 6AP 0.8878
794 2CZ 0.8877
795 FA6 0.8876
796 YQA 0.8875
797 293 0.8874
798 PHE 0.8873
799 ZON 0.8873
800 2V0 0.8871
801 KBG 0.8871
802 N0Z 0.8871
803 MD6 0.8870
804 GUN 0.8870
805 GLA 0.8870
806 XYL 0.8869
807 3OC 0.8869
808 U7E 0.8868
809 LIP 0.8868
810 PQ0 0.8867
811 0BP 0.8866
812 6GU 0.8864
813 EV3 0.8863
814 4VY 0.8863
815 KTJ 0.8863
816 0GY 0.8860
817 F60 0.8860
818 OKM 0.8859
819 G1P 0.8859
820 4XH 0.8857
821 PHU 0.8856
822 0TU 0.8856
823 9KH 0.8856
824 WOO 0.8855
825 3ZB 0.8855
826 GCW 0.8855
827 JXN 0.8854
828 X0U 0.8852
829 ISZ 0.8851
830 5Q0 0.8850
831 KDO 0.8850
832 55D 0.8849
833 GCO 0.8849
834 EGR 0.8847
835 7UC 0.8847
836 HH8 0.8847
837 QIC 0.8847
838 ZVO 0.8846
839 GLY PRO 0.8846
840 HC4 0.8846
841 2CG 0.8844
842 ALL 0.8844
843 BOA 0.8844
844 M3E 0.8843
845 290 0.8843
846 4YO 0.8843
847 RMN 0.8842
848 GC2 0.8841
849 S2P 0.8840
850 XCZ 0.8838
851 SVN 0.8838
852 SF9 0.8837
853 20J 0.8835
854 XFE 0.8834
855 717 0.8834
856 791 0.8833
857 FK1 0.8833
858 PZI 0.8832
859 MPK 0.8829
860 CFP 0.8829
861 GIV 0.8829
862 GNL 0.8828
863 23A 0.8828
864 X05 0.8827
865 W81 0.8827
866 1XM 0.8825
867 149 0.8825
868 SWD 0.8824
869 Q02 0.8824
870 HPA 0.8824
871 AZG 0.8823
872 XM5 0.8823
873 WUB 0.8823
874 6M4 0.8823
875 141 0.8822
876 BE2 0.8822
877 7VJ 0.8820
878 DGJ 0.8819
879 2HG 0.8818
880 UEG 0.8817
881 1XA 0.8817
882 K68 0.8817
883 42J 0.8816
884 JTA 0.8816
885 P7Y 0.8816
886 NQM 0.8816
887 1WC 0.8815
888 H4B 0.8815
889 B5D 0.8813
890 NLG 0.8813
891 DX3 0.8813
892 SAL 0.8813
893 FYU 0.8813
894 BHO 0.8813
895 PHH 0.8812
896 HHA 0.8812
897 2A9 0.8810
898 F69 0.8810
899 DHS 0.8809
900 HDL 0.8808
901 APG 0.8808
902 YH7 0.8807
903 4VS 0.8807
904 1GN 0.8806
905 FBM 0.8804
906 DHC 0.8804
907 HQ9 0.8801
908 DXP 0.8801
909 BNL 0.8800
910 8VE 0.8799
911 5V7 0.8799
912 FBU 0.8796
913 9PY 0.8796
914 PO6 0.8796
915 7CT 0.8796
916 HH5 0.8796
917 BRV 0.8795
918 4AN 0.8794
919 9EW 0.8793
920 3R4 0.8792
921 0RW 0.8792
922 SNU 0.8792
923 IWT 0.8791
924 S2G 0.8791
925 ADE 0.8790
926 GNV 0.8789
927 LT3 0.8788
928 8NY 0.8787
929 K25 0.8787
930 49O 0.8787
931 GSY 0.8786
932 K5W 0.8785
933 774 0.8785
934 4LW 0.8784
935 KIA 0.8782
936 K44 0.8782
937 505 0.8781
938 CPZ 0.8780
939 MT5 0.8778
940 1XN 0.8778
941 I4D 0.8777
942 KGK 0.8777
943 JXW 0.8776
944 PAC 0.8775
945 GLO 0.8774
946 FA1 0.8774
947 I3C 0.8774
948 1N4 0.8772
949 0CU 0.8771
950 S7A 0.8770
951 LYL 0.8769
952 12M 0.8767
953 SMN 0.8766
954 EJZ 0.8766
955 AX7 0.8766
956 CFA 0.8765
957 DX4 0.8765
958 EUE 0.8764
959 JBQ 0.8763
960 IF7 0.8762
961 HHI 0.8762
962 TZM 0.8761
963 R9S 0.8761
964 10L 0.8760
965 ROI 0.8760
966 C8O 0.8757
967 AOR 0.8756
968 KDG 0.8755
969 5LA 0.8754
970 7MK 0.8753
971 M3P 0.8753
972 78Y 0.8753
973 FA3 0.8753
974 JRB 0.8752
975 7ZC 0.8752
976 KW8 0.8751
977 PH3 0.8751
978 TRP 0.8750
979 IBM 0.8748
980 NPY 0.8747
981 BCP 0.8746
982 9DA 0.8746
983 CIY 0.8746
984 HPT 0.8745
985 TNL 0.8744
986 5TZ 0.8744
987 7HP 0.8744
988 HCI 0.8743
989 TXW 0.8741
990 9BF 0.8739
991 Q7A 0.8739
992 9RW 0.8739
993 DHR 0.8736
994 3U4 0.8736
995 IPT 0.8736
996 MVL 0.8736
997 F4E 0.8735
998 S76 0.8734
999 0A9 0.8733
1000 X48 0.8733
1001 2MI 0.8731
1002 CCV 0.8731
1003 MYI 0.8730
1004 680 0.8730
1005 8G6 0.8730
1006 BSP 0.8729
1007 TBS 0.8729
1008 BA5 0.8728
1009 5F8 0.8728
1010 H4E 0.8727
1011 GXY 0.8727
1012 9HX 0.8727
1013 MAN 0.8727
1014 GDL 0.8726
1015 QWN 0.8725
1016 6MP 0.8723
1017 BMA 0.8723
1018 4SV 0.8722
1019 K17 0.8720
1020 JXZ 0.8720
1021 S60 0.8720
1022 Q77 0.8719
1023 1P3 0.8718
1024 TRA 0.8715
1025 JU2 0.8715
1026 P3K 0.8715
1027 LAO 0.8714
1028 QUZ 0.8713
1029 0FN 0.8713
1030 YIO 0.8712
1031 67Y 0.8711
1032 YO5 0.8710
1033 GLU 0.8710
1034 6HP 0.8709
1035 A5H 0.8709
1036 HX4 0.8709
1037 SF6 0.8708
1038 GXL 0.8706
1039 ABF 0.8706
1040 QXW 0.8705
1041 152 0.8705
1042 KFH 0.8704
1043 2GQ 0.8703
1044 BGU 0.8702
1045 ES4 0.8701
1046 ANN 0.8699
1047 PHB 0.8698
1048 XDE 0.8697
1049 ALE 0.8697
1050 329 0.8696
1051 II4 0.8696
1052 X6X 0.8696
1053 A5E 0.8695
1054 3HP 0.8694
1055 QNA 0.8693
1056 6FB 0.8692
1057 J9N 0.8692
1058 36Y 0.8691
1059 5FL 0.8688
1060 GAF 0.8687
1061 TGX 0.8684
1062 QBM 0.8684
1063 DTR 0.8683
1064 ZWZ 0.8683
1065 HBI 0.8683
1066 PAB 0.8683
1067 TAG 0.8681
1068 H62 0.8681
1069 7O4 0.8680
1070 STT 0.8680
1071 SJ5 0.8679
1072 F9P 0.8679
1073 ADK 0.8678
1074 FK8 0.8677
1075 IPB 0.8677
1076 S3P 0.8676
1077 PM6 0.8676
1078 LSA 0.8675
1079 DDU 0.8675
1080 A9O 0.8674
1081 270 0.8673
1082 MT8 0.8673
1083 39A 0.8671
1084 CK2 0.8671
1085 FDK 0.8671
1086 3C4 0.8670
1087 FH2 0.8665
1088 ITE 0.8660
1089 8MO 0.8659
1090 MXD 0.8659
1091 D3G 0.8658
1092 BP1 0.8658
1093 GIM 0.8657
1094 PHT 0.8657
1095 F05 0.8655
1096 8H8 0.8654
1097 NPO 0.8653
1098 BNT 0.8652
1099 AMQ 0.8650
1100 OQC 0.8649
1101 22L 0.8648
1102 GT0 0.8648
1103 5WT 0.8648
1104 M45 0.8648
1105 E1K 0.8647
1106 BIO 0.8647
1107 B2J 0.8647
1108 BP7 0.8644
1109 K37 0.8643
1110 49P 0.8640
1111 2KU 0.8635
1112 AMG 0.8633
1113 I2E 0.8631
1114 AEF 0.8631
1115 41K 0.8630
1116 JKE 0.8630
1117 AC2 0.8629
1118 HRM 0.8629
1119 MWM 0.8628
1120 6ZW 0.8627
1121 MCT 0.8627
1122 7VP 0.8626
1123 A9P 0.8626
1124 5ZZ 0.8624
1125 5JC 0.8624
1126 TMG 0.8623
1127 HNT 0.8622
1128 6OT 0.8620
1129 ST1 0.8620
1130 DMJ 0.8620
1131 1Z6 0.8620
1132 PPT 0.8618
1133 THM 0.8617
1134 64E 0.8614
1135 GTZ 0.8614
1136 4ZE 0.8612
1137 JY4 0.8611
1138 JAA 0.8611
1139 2YU 0.8608
1140 RUY 0.8607
1141 2CK 0.8605
1142 RPQ 0.8602
1143 DGL 0.8598
1144 MZG 0.8597
1145 SR1 0.8596
1146 7WV 0.8596
1147 K34 0.8596
1148 TM7 0.8594
1149 QQQ 0.8593
1150 OHP 0.8591
1151 GCV 0.8590
1152 HBD 0.8590
1153 HT4 0.8588
1154 DQA 0.8586
1155 GIF 0.8586
1156 YRL 0.8585
1157 MWJ 0.8584
1158 EQT 0.8584
1159 RKV 0.8584
1160 XBZ 0.8584
1161 MS0 0.8583
1162 QR2 0.8581
1163 2CQ 0.8580
1164 VYM 0.8579
1165 IPD 0.8576
1166 IPZ 0.8575
1167 4MA 0.8575
1168 BCK 0.8574
1169 4JJ 0.8574
1170 LFQ 0.8574
1171 ENO 0.8569
1172 TCR 0.8564
1173 KMY 0.8562
1174 PBZ 0.8561
1175 2AC 0.8560
1176 K6X 0.8559
1177 CXP 0.8559
1178 TYR 0.8558
1179 6X9 0.8558
1180 QOS 0.8557
1181 150 0.8557
1182 CNI 0.8554
1183 PKU 0.8554
1184 7MH 0.8552
1185 2FX 0.8551
1186 SD4 0.8550
1187 Y3L 0.8550
1188 ZZ3 0.8549
1189 4NB 0.8545
1190 FAN 0.8544
1191 L7T 0.8543
1192 1Y6 0.8543
1193 275 0.8541
1194 I3E 0.8529
1195 BR9 0.8529
1196 GI3 0.8528
1197 826 0.8526
1198 7WA 0.8524
1199 XRX 0.8524
1200 FQX 0.8523
1201 4HO 0.8523
1202 JZ2 0.8518
1203 LQ2 0.8516
1204 DGN 0.8510
1205 HFB 0.8506
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3AIQ; Ligand: HBO; 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: 3aiq.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3AIQ; Ligand: HBO; 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: 3aiq.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3AIQ; Ligand: HBO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3aiq.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3AIQ; Ligand: HBO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3aiq.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3AIQ; Ligand: HBO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3aiq.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3AIQ; Ligand: HBO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3aiq.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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