Receptor
PDB id Resolution Class Description Source Keywords
1AJP 2.31 Å EC: 3.5.1.11 PENICILLIN ACYLASE COMPLEXED WITH 2,5-DIHYDROXYPHENYLACETIC ESCHERICHIA COLI ANTIBIOTIC RESISTANCE LIGAND INDUCED CONFORMATIONAL CHANGEHYDROLASE
Ref.: LIGAND-INDUCED CONFORMATIONAL CHANGE IN PENICILLIN J.MOL.BIOL. V. 284 463 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:558;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
OMD A:210;
Valid;
none;
Ki = 5.85 mM
168.147 C8 H8 O4 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1AJQ 2.05 Å EC: 3.5.1.11 PENICILLIN ACYLASE COMPLEXED WITH THIOPHENEACETIC ACID ESCHERICHIA COLI ANTIBIOTIC RESISTANCE LIGAND INDUCED CONFORMATIONAL CHANGEHYDROLASE
Ref.: LIGAND-INDUCED CONFORMATIONAL CHANGE IN PENICILLIN J.MOL.BIOL. V. 284 463 1998
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GM7 - PNN C16 H18 N2 O4 S CC1([C@@H]....
2 1K7D Ki = 0.47 mM GRO C9 H10 O2 C[C@H](c1c....
3 1AJQ Ki = 0.049 mM SPA C6 H6 O2 S c1cc(sc1)C....
4 1KEC Ki = 0.2 mM GRO C9 H10 O2 C[C@H](c1c....
5 1GM9 - SOX C16 H20 N2 O5 S CC1([C@@H]....
6 1AI5 Ki = 0.189 mM MNP C8 H7 N O4 c1cc(cc(c1....
7 1AJN Ki = 2.32 mM AAN C8 H7 N O4 c1cc(ccc1C....
8 1PNL - PAC C8 H8 O2 c1ccc(cc1)....
9 1K5Q Ki = 1.1 mM PAC C8 H8 O2 c1ccc(cc1)....
10 1FXH - PAC C8 H8 O2 c1ccc(cc1)....
11 1AI4 Ki = 3.13 mM DHY C8 H8 O4 c1cc(c(cc1....
12 1FXV - PNN C16 H18 N2 O4 S CC1([C@@H]....
13 1AJP Ki = 5.85 mM OMD C8 H8 O4 c1cc(c(cc1....
14 1K5S Ki = 0.124 mM GRO C9 H10 O2 C[C@H](c1c....
15 1GM8 - SOX C16 H20 N2 O5 S CC1([C@@H]....
16 1AI7 Ki = 0.082 mM IPH C6 H6 O c1ccc(cc1)....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GM7 - PNN C16 H18 N2 O4 S CC1([C@@H]....
2 1K7D Ki = 0.47 mM GRO C9 H10 O2 C[C@H](c1c....
3 1AJQ Ki = 0.049 mM SPA C6 H6 O2 S c1cc(sc1)C....
4 1KEC Ki = 0.2 mM GRO C9 H10 O2 C[C@H](c1c....
5 1GM9 - SOX C16 H20 N2 O5 S CC1([C@@H]....
6 1AI5 Ki = 0.189 mM MNP C8 H7 N O4 c1cc(cc(c1....
7 1AJN Ki = 2.32 mM AAN C8 H7 N O4 c1cc(ccc1C....
8 1PNL - PAC C8 H8 O2 c1ccc(cc1)....
9 1K5Q Ki = 1.1 mM PAC C8 H8 O2 c1ccc(cc1)....
10 1FXH - PAC C8 H8 O2 c1ccc(cc1)....
11 1AI4 Ki = 3.13 mM DHY C8 H8 O4 c1cc(c(cc1....
12 1FXV - PNN C16 H18 N2 O4 S CC1([C@@H]....
13 1AJP Ki = 5.85 mM OMD C8 H8 O4 c1cc(c(cc1....
14 1K5S Ki = 0.124 mM GRO C9 H10 O2 C[C@H](c1c....
15 1GM8 - SOX C16 H20 N2 O5 S CC1([C@@H]....
16 1AI7 Ki = 0.082 mM IPH C6 H6 O c1ccc(cc1)....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1GM7 - PNN C16 H18 N2 O4 S CC1([C@@H]....
2 1K7D Ki = 0.47 mM GRO C9 H10 O2 C[C@H](c1c....
3 1AJQ Ki = 0.049 mM SPA C6 H6 O2 S c1cc(sc1)C....
4 1KEC Ki = 0.2 mM GRO C9 H10 O2 C[C@H](c1c....
5 1GM9 - SOX C16 H20 N2 O5 S CC1([C@@H]....
6 1AI5 Ki = 0.189 mM MNP C8 H7 N O4 c1cc(cc(c1....
7 1AJN Ki = 2.32 mM AAN C8 H7 N O4 c1cc(ccc1C....
8 1PNL - PAC C8 H8 O2 c1ccc(cc1)....
9 1K5Q Ki = 1.1 mM PAC C8 H8 O2 c1ccc(cc1)....
10 1FXH - PAC C8 H8 O2 c1ccc(cc1)....
11 1AI4 Ki = 3.13 mM DHY C8 H8 O4 c1cc(c(cc1....
12 1FXV - PNN C16 H18 N2 O4 S CC1([C@@H]....
13 1AJP Ki = 5.85 mM OMD C8 H8 O4 c1cc(c(cc1....
14 1K5S Ki = 0.124 mM GRO C9 H10 O2 C[C@H](c1c....
15 1GM8 - SOX C16 H20 N2 O5 S CC1([C@@H]....
16 1AI7 Ki = 0.082 mM IPH C6 H6 O c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: OMD; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 OMD 1 1
2 OHP 0.404762 0.916667
3 GTQ 0.4 0.730769
Similar Ligands (3D)
Ligand no: 1; Ligand: OMD; Similar ligands found: 1239
No: Ligand Similarity coefficient
1 HQ9 1.0000
2 R9S 0.9707
3 KTA 0.9641
4 TSR 0.9583
5 3HP 0.9578
6 NFQ 0.9540
7 IAC 0.9531
8 DHY 0.9530
9 NVU 0.9525
10 9KH 0.9519
11 ONR 0.9515
12 GDE 0.9509
13 463 0.9506
14 TSS 0.9486
15 P84 0.9474
16 S24 0.9472
17 FP1 0.9453
18 PRZ 0.9432
19 3C4 0.9424
20 92K 0.9423
21 GZL 0.9414
22 261 0.9413
23 HPT 0.9411
24 97T 0.9404
25 TRC 0.9403
26 2LP 0.9400
27 42C 0.9397
28 2AL 0.9397
29 0F9 0.9393
30 1LN 0.9393
31 EOL 0.9392
32 Q88 0.9391
33 V55 0.9389
34 IOS 0.9387
35 SBK 0.9386
36 BSX 0.9386
37 4ME 0.9378
38 PRY 0.9377
39 P7Y 0.9366
40 4XV 0.9365
41 MNP 0.9365
42 Q6T 0.9365
43 JZ4 0.9363
44 SAF 0.9361
45 AKH 0.9358
46 F52 0.9356
47 263 0.9351
48 PAC 0.9349
49 AX3 0.9345
50 6DP 0.9344
51 SRO 0.9343
52 VNL 0.9340
53 A29 0.9337
54 CCB 0.9335
55 52C 0.9329
56 23J 0.9323
57 6CS 0.9323
58 149 0.9322
59 2CL 0.9320
60 ICO 0.9320
61 SHA 0.9318
62 FA6 0.9317
63 92P 0.9316
64 MQB 0.9308
65 1AL 0.9306
66 0LH 0.9306
67 KBB 0.9304
68 LDP 0.9301
69 HQJ 0.9301
70 APZ 0.9294
71 57O 0.9294
72 AH8 0.9293
73 DEW 0.9293
74 NCD 0.9292
75 GAL 0.9292
76 4XS 0.9291
77 PDC 0.9288
78 JFJ 0.9284
79 ORO 0.9284
80 YTX 0.9283
81 DHK 0.9282
82 ASC 0.9280
83 1GN 0.9278
84 LYL 0.9276
85 DNF 0.9274
86 HA7 0.9273
87 M3Q 0.9271
88 5RG 0.9271
89 3AL 0.9270
90 54G 0.9269
91 DOR 0.9269
92 7MU 0.9268
93 H7Y 0.9265
94 B2J 0.9265
95 069 0.9265
96 7WR 0.9263
97 5M0 0.9263
98 AS3 0.9263
99 4NC 0.9263
100 OXC 0.9262
101 2FG 0.9259
102 AEH 0.9259
103 9TZ 0.9258
104 VXX 0.9257
105 URC 0.9254
106 O2A 0.9252
107 AY4 0.9248
108 6FZ 0.9246
109 5MK 0.9245
110 DBX 0.9244
111 QY9 0.9242
112 CHB 0.9240
113 42J 0.9239
114 Z5P 0.9238
115 DNC 0.9236
116 NGT 0.9235
117 1N4 0.9234
118 6LW 0.9231
119 DHB 0.9230
120 INO 0.9229
121 EYK 0.9228
122 F69 0.9226
123 PHU 0.9226
124 ZON 0.9225
125 4HM 0.9224
126 NBG 0.9224
127 APS 0.9223
128 HHT 0.9223
129 4CS 0.9221
130 F0J 0.9219
131 QSB 0.9216
132 MYJ 0.9215
133 3HB 0.9210
134 YIO 0.9209
135 QSH 0.9209
136 M1E 0.9209
137 CFA 0.9208
138 4M4 0.9207
139 EUG 0.9207
140 SKM 0.9205
141 4AV 0.9204
142 ICB 0.9204
143 M2K 0.9203
144 T9G 0.9203
145 GAB 0.9203
146 8WT 0.9202
147 FGZ 0.9201
148 J9Q 0.9201
149 6TZ 0.9201
150 BK9 0.9199
151 N2Z 0.9199
152 5HY 0.9198
153 5RN 0.9197
154 OVV 0.9197
155 ARP 0.9196
156 JND 0.9195
157 GLA 0.9192
158 AHR 0.9192
159 1P3 0.9192
160 DEE 0.9187
161 MR1 0.9187
162 LNR 0.9186
163 EV0 0.9185
164 FA1 0.9185
165 I3A 0.9183
166 SX1 0.9181
167 GOX 0.9176
168 KDF 0.9175
169 NLA 0.9174
170 P9P 0.9174
171 CWM 0.9173
172 15N 0.9172
173 C9E 0.9170
174 5XB 0.9170
175 GV9 0.9170
176 R20 0.9169
177 8U3 0.9167
178 LSQ 0.9167
179 DIG 0.9166
180 GYE 0.9162
181 8TX 0.9162
182 93K 0.9162
183 SR1 0.9160
184 FK8 0.9160
185 RUY 0.9157
186 4SX 0.9157
187 AIN 0.9156
188 DIN 0.9155
189 CSN 0.9153
190 AMQ 0.9153
191 3AB 0.9152
192 PZI 0.9152
193 GLC 0.9152
194 IHB 0.9152
195 TNX 0.9152
196 NGO 0.9151
197 QPR 0.9150
198 OVM 0.9148
199 1XA 0.9147
200 HC4 0.9147
201 FLC 0.9147
202 K5W 0.9147
203 3MB 0.9145
204 IOP 0.9145
205 ES0 0.9144
206 7NI 0.9144
207 PO6 0.9143
208 1WC 0.9142
209 61M 0.9142
210 3XX 0.9141
211 UAN 0.9141
212 5OB 0.9141
213 NNO 0.9136
214 2ZQ 0.9136
215 QBK 0.9134
216 A7W 0.9131
217 GT0 0.9131
218 XQI 0.9131
219 2LY 0.9129
220 9BF 0.9129
221 EMZ 0.9127
222 M5H 0.9127
223 HMQ 0.9127
224 8S0 0.9125
225 0HN 0.9124
226 D1X 0.9123
227 HQD 0.9123
228 ESI 0.9123
229 SVD 0.9123
230 7HQ 0.9122
231 NOJ 0.9122
232 42A 0.9120
233 0HO 0.9120
234 J0Z 0.9119
235 GTR 0.9117
236 9MG 0.9117
237 2HC 0.9116
238 3Z8 0.9116
239 HA5 0.9114
240 KDG 0.9114
241 FBV 0.9114
242 24W 0.9113
243 I4B 0.9112
244 FXH 0.9112
245 OGA 0.9112
246 5WY 0.9111
247 KP6 0.9110
248 RNS 0.9110
249 GRO 0.9109
250 TRA 0.9108
251 EDR 0.9107
252 Q02 0.9107
253 TYL 0.9107
254 C2Y 0.9107
255 TZM 0.9106
256 ODO 0.9105
257 5NI 0.9105
258 51R 0.9105
259 9TW 0.9105
260 FA3 0.9103
261 XQG 0.9103
262 JLZ 0.9103
263 GZQ 0.9103
264 8VN 0.9102
265 0P6 0.9102
266 GLN 0.9100
267 CIT 0.9100
268 J9T 0.9100
269 53C 0.9099
270 FHB 0.9098
271 MRW 0.9098
272 75K 0.9098
273 2SX 0.9098
274 FWD 0.9097
275 MUC 0.9096
276 5GU 0.9096
277 F31 0.9095
278 XAZ 0.9095
279 AEG 0.9095
280 3OC 0.9095
281 A9O 0.9094
282 5JQ 0.9094
283 8XL 0.9094
284 3BZ 0.9094
285 P4B 0.9093
286 DQA 0.9093
287 AN0 0.9091
288 KT7 0.9090
289 S76 0.9089
290 BB4 0.9089
291 NMJ 0.9088
292 4A3 0.9088
293 GOJ 0.9088
294 HJ8 0.9088
295 LZM 0.9087
296 MS9 0.9087
297 KJU 0.9087
298 41K 0.9086
299 UFV 0.9085
300 BGC 0.9085
301 B55 0.9083
302 AOR 0.9083
303 MBG 0.9081
304 AOS 0.9081
305 6XI 0.9080
306 N8Y 0.9079
307 BE2 0.9079
308 SAL 0.9079
309 3NT 0.9078
310 2D0 0.9077
311 3NY 0.9076
312 M0Q 0.9076
313 7ZE 0.9074
314 34D 0.9074
315 60Q 0.9073
316 BTY 0.9072
317 KYA 0.9071
318 G4D 0.9069
319 QUS 0.9068
320 XEN 0.9068
321 1LQ 0.9067
322 JR2 0.9066
323 6NT 0.9065
324 9SE 0.9065
325 OW4 0.9064
326 DA4 0.9064
327 1F1 0.9064
328 EA1 0.9063
329 7ZC 0.9062
330 7MX 0.9061
331 CWS 0.9060
332 X0V 0.9060
333 OW7 0.9059
334 CBF 0.9059
335 KOJ 0.9057
336 7WG 0.9057
337 FBW 0.9056
338 HHH 0.9056
339 2PG 0.9055
340 4VY 0.9055
341 3HM 0.9054
342 49O 0.9053
343 LT8 0.9053
344 AW5 0.9053
345 L5V 0.9052
346 C2A 0.9052
347 N3W 0.9051
348 GLU 0.9050
349 KUF 0.9049
350 BNF 0.9049
351 TRP 0.9049
352 2F6 0.9047
353 4A5 0.9047
354 G3F 0.9046
355 FOT 0.9046
356 XX2 0.9045
357 3R6 0.9045
358 XCZ 0.9043
359 9RW 0.9043
360 7VS 0.9042
361 RM1 0.9042
362 2ZM 0.9041
363 3HA 0.9041
364 3Z7 0.9041
365 4NG 0.9041
366 1SQ 0.9040
367 6J9 0.9040
368 SMN 0.9040
369 8XQ 0.9040
370 HLZ 0.9038
371 GGL 0.9038
372 8OZ 0.9038
373 RJY 0.9036
374 SYG 0.9035
375 6VD 0.9034
376 APG 0.9034
377 FRU 0.9034
378 KG1 0.9033
379 ABI 0.9033
380 790 0.9032
381 MJ2 0.9030
382 5RO 0.9030
383 NGW 0.9029
384 2XX 0.9029
385 G5V 0.9028
386 M0W 0.9028
387 9FE 0.9027
388 JXZ 0.9026
389 RD4 0.9025
390 ZME 0.9024
391 JRB 0.9023
392 8ZE 0.9022
393 2HO 0.9021
394 0JD 0.9021
395 CWD 0.9021
396 5JL 0.9019
397 M4E 0.9019
398 CLU 0.9019
399 TIU 0.9018
400 NSG 0.9014
401 GNL 0.9014
402 K2P 0.9014
403 PEL 0.9014
404 JBH 0.9012
405 505 0.9012
406 IFP 0.9012
407 ICT 0.9012
408 EPR 0.9012
409 NYL 0.9011
410 NIG 0.9011
411 6NI 0.9011
412 495 0.9010
413 IJZ 0.9010
414 PD2 0.9010
415 DTR 0.9010
416 DBH 0.9010
417 4Z4 0.9009
418 UFO 0.9009
419 NPA 0.9009
420 N5J 0.9008
421 3HG 0.9007
422 GLO 0.9006
423 CXH 0.9005
424 173 0.9005
425 L99 0.9005
426 5WZ 0.9005
427 XLS 0.9004
428 4KL 0.9004
429 209 0.9003
430 ISD 0.9003
431 E7Z 0.9003
432 BZ3 0.9003
433 SJ5 0.9002
434 MWP 0.9002
435 ES2 0.9002
436 GIV 0.9001
437 AZ9 0.9001
438 2O6 0.9001
439 MT0 0.9000
440 FE DB1 0.9000
441 HLD 0.8999
442 URS 0.8997
443 ZZ2 0.8997
444 3DO 0.8997
445 AKG 0.8997
446 RMN 0.8996
447 JKZ 0.8996
448 DBJ 0.8995
449 7N0 0.8995
450 SF6 0.8995
451 JAW 0.8995
452 2H5 0.8994
453 ZZ8 0.8992
454 ZZ3 0.8992
455 8GK 0.8992
456 LGC 0.8991
457 B85 0.8991
458 FB1 0.8991
459 XYH 0.8990
460 K7M 0.8990
461 PEA 0.8989
462 5SG 0.8989
463 SYC 0.8989
464 AHC 0.8989
465 4AA 0.8989
466 9DG 0.8989
467 SR4 0.8987
468 4YS 0.8987
469 1A7 0.8987
470 YPN 0.8987
471 MIG 0.8987
472 INE 0.8987
473 1QP 0.8986
474 Q03 0.8986
475 JPZ 0.8985
476 JZ3 0.8985
477 5IQ 0.8984
478 GCO 0.8984
479 LFR 0.8984
480 4HP 0.8984
481 HQT 0.8983
482 TYE 0.8983
483 BWD 0.8983
484 3IT 0.8983
485 PMF 0.8982
486 46P 0.8981
487 YH7 0.8981
488 N7I 0.8981
489 QIC 0.8981
490 1NP 0.8980
491 GCS 0.8980
492 EKZ 0.8980
493 8CM 0.8979
494 GJS 0.8978
495 2FY 0.8978
496 RNT 0.8978
497 OA3 0.8978
498 5WX 0.8977
499 5XC 0.8976
500 QM1 0.8976
501 F12 0.8975
502 M3H 0.8975
503 091 0.8975
504 GUN 0.8975
505 MHK 0.8974
506 JZ1 0.8974
507 A13 0.8974
508 4TU 0.8973
509 2HU 0.8972
510 KTW 0.8971
511 S2P 0.8970
512 HXX 0.8970
513 HPS 0.8970
514 BCU 0.8970
515 6JN 0.8969
516 DGL 0.8969
517 GAF 0.8968
518 B4O 0.8968
519 6AP 0.8967
520 5HN 0.8967
521 4ZC 0.8967
522 PPT 0.8967
523 TZE 0.8967
524 268 0.8966
525 GM7 0.8966
526 FBU 0.8966
527 DFB 0.8966
528 0GZ 0.8965
529 1P7 0.8965
530 4JT 0.8965
531 IFM 0.8965
532 24B 0.8965
533 B40 0.8965
534 HJH 0.8964
535 TPA 0.8964
536 SOR 0.8964
537 KBG 0.8964
538 5QX 0.8963
539 ES1 0.8963
540 PHE 0.8963
541 4HC 0.8963
542 TWO 0.8962
543 4FA 0.8961
544 4FH 0.8959
545 JDN 0.8958
546 3DM 0.8958
547 0N7 0.8957
548 7W1 0.8957
549 8IG 0.8957
550 CFI 0.8957
551 8WZ 0.8956
552 IV2 0.8956
553 YRL 0.8956
554 M4T 0.8955
555 1LM 0.8954
556 HCI 0.8954
557 RIB 0.8953
558 NDH 0.8951
559 N4B 0.8951
560 0W8 0.8951
561 SHG 0.8950
562 EVA 0.8947
563 XIY 0.8947
564 15L 0.8946
565 YSO 0.8945
566 M1H 0.8944
567 DIE 0.8944
568 NLG 0.8944
569 3SK 0.8944
570 HY1 0.8943
571 2TQ 0.8943
572 2A7 0.8942
573 GC3 0.8942
574 MZB 0.8942
575 6R8 0.8941
576 PRA 0.8941
577 HPP 0.8941
578 XAN 0.8941
579 LCN 0.8940
580 XQK 0.8939
581 CXF 0.8939
582 ISZ 0.8939
583 PIM 0.8939
584 1X7 0.8938
585 BOA 0.8937
586 BRT 0.8936
587 ITW 0.8936
588 M6Z 0.8936
589 NCT 0.8935
590 8WO 0.8935
591 UNC 0.8934
592 39U 0.8934
593 BDP 0.8934
594 6ME 0.8934
595 1XM 0.8933
596 BPY 0.8932
597 PE0 0.8932
598 NID 0.8932
599 SHI 0.8932
600 GCB 0.8930
601 R1P 0.8930
602 8GC 0.8930
603 TTY 0.8929
604 JB8 0.8929
605 293 0.8927
606 CTS 0.8926
607 C2U 0.8926
608 AZ8 0.8924
609 F34 0.8924
610 NAG 0.8924
611 3F0 0.8924
612 3FH 0.8924
613 ROR 0.8923
614 NSP 0.8923
615 WCE 0.8922
616 3A9 0.8921
617 HNQ 0.8920
618 HJP 0.8920
619 EV3 0.8920
620 VOH 0.8919
621 JF6 0.8919
622 DHC 0.8918
623 MPK 0.8918
624 NQ 0.8917
625 5ZZ 0.8917
626 3PG 0.8916
627 AEF 0.8915
628 5B1 0.8914
629 HZQ 0.8914
630 2MN 0.8914
631 258 0.8914
632 R9Y 0.8912
633 O72 0.8912
634 5WU 0.8911
635 RSO 0.8911
636 FUD 0.8911
637 IWD 0.8911
638 DOB 0.8911
639 FEH 0.8910
640 OTD 0.8910
641 3U4 0.8910
642 JTH 0.8909
643 8G0 0.8909
644 271 0.8909
645 33S 0.8909
646 HQY 0.8908
647 ZXD 0.8908
648 XM0 0.8908
649 DHS 0.8907
650 AZF 0.8905
651 5Q0 0.8904
652 KMH 0.8904
653 ALL 0.8903
654 DRL 0.8903
655 9UL 0.8903
656 JKE 0.8903
657 ES6 0.8903
658 BHO 0.8903
659 R2P 0.8902
660 II6 0.8902
661 DJN 0.8902
662 512 0.8901
663 4MU 0.8901
664 2EC 0.8901
665 9RH 0.8901
666 NK 0.8900
667 3QM 0.8899
668 44V 0.8898
669 MP5 0.8898
670 0FK 0.8895
671 XXG 0.8895
672 3BU 0.8895
673 JZ7 0.8893
674 ALE 0.8893
675 I6G 0.8893
676 HIS 0.8892
677 R8V 0.8892
678 6M4 0.8891
679 AQO 0.8890
680 OIA 0.8890
681 51F 0.8890
682 4SV 0.8890
683 WOO 0.8890
684 AAN 0.8890
685 5NU 0.8889
686 SYV 0.8889
687 H33 0.8888
688 SYR 0.8888
689 Q24 0.8887
690 HMH 0.8887
691 3M0 0.8886
692 SKA 0.8884
693 MEW 0.8884
694 EXD 0.8883
695 IP0 0.8883
696 RXA 0.8881
697 TT4 0.8881
698 264 0.8881
699 82I 0.8881
700 1SS 0.8881
701 VK3 0.8880
702 3MG 0.8880
703 M5K 0.8879
704 H42 0.8879
705 L21 0.8879
706 PBA 0.8879
707 R8A 0.8878
708 H76 0.8877
709 1SV 0.8877
710 GCU 0.8877
711 M1Z 0.8876
712 KTJ 0.8876
713 7CT 0.8876
714 54Z 0.8876
715 9PY 0.8876
716 QAT 0.8875
717 R8S 0.8875
718 9R5 0.8875
719 FDK 0.8874
720 MAJ 0.8874
721 DQU 0.8873
722 5OF 0.8872
723 GWM 0.8872
724 PSV 0.8872
725 FAN 0.8872
726 5FN 0.8871
727 AJ2 0.8870
728 G8M 0.8870
729 BDF 0.8870
730 HH8 0.8869
731 RBJ 0.8869
732 2BG 0.8869
733 IFG 0.8869
734 5CU 0.8868
735 J9W 0.8867
736 NIZ 0.8867
737 P3K 0.8867
738 CN0 0.8867
739 PXM 0.8867
740 86L 0.8866
741 5NS 0.8866
742 PIY 0.8865
743 2A9 0.8864
744 8W9 0.8864
745 PH3 0.8863
746 PQZ 0.8863
747 QMP 0.8860
748 PXL 0.8860
749 TPO 0.8860
750 FYU 0.8860
751 VNJ 0.8859
752 DI6 0.8859
753 UEG 0.8859
754 0QW 0.8859
755 3TJ 0.8858
756 F9Y 0.8858
757 TAG 0.8858
758 LRH 0.8857
759 SFU 0.8855
760 KFH 0.8855
761 X09 0.8855
762 HX3 0.8854
763 BEA 0.8854
764 4XR 0.8854
765 M1Q 0.8853
766 FA0 0.8851
767 GVG 0.8850
768 AM1 0.8850
769 SPA 0.8850
770 0CU 0.8849
771 0W1 0.8848
772 RBL 0.8848
773 OKM 0.8847
774 3R9 0.8847
775 BCK 0.8846
776 5NE 0.8845
777 G2F 0.8845
778 8HC 0.8844
779 7I2 0.8844
780 1M2 0.8844
781 OXZ 0.8843
782 45L 0.8843
783 EGR 0.8842
784 ZZT 0.8842
785 ABF 0.8842
786 PJL 0.8842
787 8H8 0.8842
788 141 0.8841
789 9ZE 0.8841
790 MUA 0.8841
791 SDD 0.8841
792 OVP 0.8840
793 SWD 0.8840
794 12Q 0.8840
795 B62 0.8839
796 HHA 0.8839
797 1U6 0.8838
798 AZA 0.8837
799 MOK 0.8837
800 NOY 0.8837
801 2D3 0.8837
802 GXL 0.8835
803 SRT 0.8835
804 4OG 0.8835
805 9FL 0.8835
806 BHA 0.8834
807 PEY 0.8834
808 EXR 0.8834
809 CTL 0.8833
810 YOF 0.8833
811 7MK 0.8833
812 67X 0.8832
813 4XH 0.8831
814 DXP 0.8831
815 1DJ 0.8831
816 J4K 0.8831
817 23A 0.8830
818 MNN 0.8830
819 4M0 0.8828
820 7WV 0.8828
821 CXP 0.8827
822 948 0.8827
823 NWD 0.8827
824 SEP 0.8827
825 ADA 0.8826
826 TVP 0.8826
827 MAN 0.8826
828 KJY 0.8825
829 JF1 0.8825
830 NDG 0.8824
831 SLS 0.8823
832 LDR 0.8823
833 FDB 0.8823
834 HWD 0.8822
835 URQ 0.8821
836 AHN 0.8821
837 ALN 0.8821
838 94B 0.8820
839 DGJ 0.8820
840 IFL 0.8819
841 LTM 0.8819
842 AX7 0.8818
843 BPU 0.8818
844 12M 0.8816
845 I1E 0.8814
846 1DW 0.8814
847 SNE 0.8814
848 N2I 0.8812
849 LIP 0.8812
850 CEE 0.8812
851 SXS 0.8811
852 286 0.8810
853 3EB 0.8810
854 ES5 0.8808
855 QAS 0.8807
856 LZ2 0.8807
857 7MH 0.8807
858 ET2 0.8806
859 7VJ 0.8806
860 HMU 0.8806
861 AFR 0.8806
862 CWJ 0.8805
863 6GU 0.8804
864 IF7 0.8804
865 RUJ 0.8804
866 NDM 0.8804
867 DIU 0.8803
868 44W 0.8800
869 IGA 0.8799
870 6OT 0.8799
871 35C 0.8799
872 MXN 0.8799
873 GJZ 0.8798
874 1WD 0.8798
875 XDK 0.8797
876 AZG 0.8796
877 LAO 0.8796
878 7Q1 0.8796
879 BZ2 0.8796
880 E4P 0.8794
881 DMJ 0.8794
882 OTR 0.8793
883 TQU 0.8792
884 39O 0.8792
885 4V2 0.8792
886 7A3 0.8791
887 OCH 0.8791
888 T6C 0.8790
889 ATH 0.8789
890 IPB 0.8789
891 A2G 0.8789
892 COU 0.8786
893 MB1 0.8786
894 36M 0.8786
895 GBN 0.8785
896 MES 0.8784
897 HIO 0.8783
898 4JQ 0.8783
899 MYI 0.8782
900 FBT 0.8782
901 03V 0.8781
902 717 0.8781
903 QBS 0.8780
904 K3Q 0.8780
905 TGX 0.8780
906 1XN 0.8779
907 4FS 0.8779
908 D07 0.8779
909 C5A 0.8779
910 OK7 0.8778
911 SWA 0.8777
912 A2F 0.8777
913 X1P 0.8776
914 DS0 0.8776
915 ZB1 0.8774
916 8VE 0.8773
917 PFB 0.8773
918 0R0 0.8773
919 NOK 0.8771
920 MO8 0.8770
921 7FF 0.8769
922 3LR 0.8769
923 AGK 0.8769
924 LT1 0.8769
925 HDH 0.8769
926 TBP 0.8769
927 NFA 0.8767
928 ORN 0.8766
929 B57 0.8766
930 HL4 0.8765
931 B2Y 0.8765
932 SDF 0.8765
933 7ME 0.8764
934 ADE 0.8764
935 S7G 0.8764
936 HFA 0.8764
937 LSA 0.8764
938 PEZ 0.8764
939 FDR 0.8763
940 EYV 0.8762
941 86J 0.8761
942 ASO 0.8761
943 JZA 0.8760
944 94W 0.8760
945 2MI 0.8759
946 ABV 0.8758
947 GIO 0.8758
948 TTL 0.8758
949 SYA 0.8756
950 2AQ 0.8756
951 FBB 0.8756
952 F9P 0.8756
953 J6W 0.8756
954 FBM 0.8754
955 7D2 0.8754
956 ZWZ 0.8754
957 OTW 0.8752
958 LNO 0.8752
959 9KT 0.8751
960 CIY 0.8750
961 PMB 0.8750
962 X6X 0.8749
963 692 0.8749
964 PPY 0.8749
965 VGD 0.8748
966 CTV 0.8747
967 3V4 0.8745
968 2FQ 0.8744
969 HPA 0.8744
970 GDL 0.8744
971 DPZ 0.8742
972 M5N 0.8742
973 CLW 0.8742
974 QDK 0.8741
975 PAB 0.8741
976 BZE 0.8740
977 BMA 0.8740
978 KKN 0.8738
979 290 0.8738
980 2CG 0.8738
981 BTE 0.8736
982 MNM 0.8735
983 9W5 0.8734
984 0FO 0.8733
985 CTE 0.8733
986 9AP 0.8731
987 HBO 0.8731
988 IBM 0.8731
989 PHB 0.8731
990 DGN 0.8730
991 DTY 0.8730
992 PEP 0.8729
993 36E 0.8729
994 0GY 0.8728
995 GIF 0.8728
996 PQK 0.8727
997 PFL 0.8727
998 1P8 0.8726
999 K2T 0.8724
1000 BM3 0.8722
1001 TOM 0.8722
1002 DX4 0.8721
1003 DPN 0.8721
1004 ASN 0.8720
1005 GLL 0.8720
1006 GZ2 0.8720
1007 30G 0.8719
1008 NGA 0.8719
1009 AMR 0.8718
1010 2HG 0.8718
1011 NLQ 0.8718
1012 4P5 0.8718
1013 PA1 0.8717
1014 67N 0.8717
1015 XQ0 0.8717
1016 270 0.8716
1017 P92 0.8716
1018 LKA 0.8716
1019 XYL 0.8716
1020 RB5 0.8716
1021 GXY 0.8716
1022 SIF 0.8716
1023 ISN 0.8715
1024 10L 0.8714
1025 SOE 0.8714
1026 3PF 0.8714
1027 7HP 0.8713
1028 IPZ 0.8713
1029 36R 0.8713
1030 ESP 0.8712
1031 HH5 0.8712
1032 CIP 0.8711
1033 329 0.8710
1034 KIB 0.8710
1035 9CA 0.8705
1036 DX3 0.8705
1037 XHP 0.8704
1038 ES7 0.8704
1039 BEZ 0.8704
1040 ESX 0.8703
1041 X05 0.8702
1042 AMG 0.8701
1043 M1A 0.8701
1044 MFU 0.8701
1045 NQH 0.8700
1046 TAR 0.8699
1047 MLT 0.8699
1048 PSJ 0.8698
1049 G1P 0.8698
1050 BZX 0.8695
1051 DHQ 0.8694
1052 OAA 0.8694
1053 XSP 0.8693
1054 4P0 0.8693
1055 1IT 0.8692
1056 F81 0.8690
1057 SYM 0.8690
1058 JIF 0.8689
1059 2HQ 0.8689
1060 2DR 0.8689
1061 CKA 0.8689
1062 L7T 0.8688
1063 6AI 0.8687
1064 ASP 0.8687
1065 2FT 0.8686
1066 MSR 0.8684
1067 SF9 0.8683
1068 1BN 0.8683
1069 LT2 0.8683
1070 FLV 0.8683
1071 TCA 0.8682
1072 NQM 0.8681
1073 FTV 0.8680
1074 K34 0.8677
1075 NPO 0.8676
1076 8NX 0.8675
1077 6RQ 0.8675
1078 GLY PRO 0.8674
1079 AOT 0.8671
1080 EXL 0.8671
1081 IPT 0.8670
1082 ZYR 0.8670
1083 MVN 0.8669
1084 CFP 0.8668
1085 TLA 0.8668
1086 OOG 0.8667
1087 GLY GLY 0.8667
1088 55D 0.8665
1089 M44 0.8663
1090 ZZZ 0.8663
1091 289 0.8663
1092 327 0.8663
1093 G6D 0.8661
1094 5MB 0.8660
1095 JG8 0.8659
1096 3ID 0.8659
1097 152 0.8658
1098 GLF 0.8658
1099 FHC 0.8658
1100 KED 0.8657
1101 Q71 0.8657
1102 B09 0.8657
1103 5VM 0.8656
1104 SAN 0.8656
1105 SYE 0.8655
1106 2K8 0.8654
1107 2K4 0.8652
1108 NCA 0.8652
1109 AVI 0.8651
1110 H62 0.8651
1111 ARW 0.8650
1112 MCO 0.8649
1113 HF2 0.8649
1114 PJW 0.8649
1115 K97 0.8649
1116 CDV 0.8647
1117 BNS 0.8645
1118 FBG 0.8645
1119 PEQ 0.8645
1120 PYQ 0.8644
1121 5H1 0.8643
1122 G3E 0.8641
1123 95Z 0.8641
1124 N8P 0.8640
1125 DNA 0.8640
1126 GFP 0.8639
1127 6M1 0.8639
1128 BEN 0.8638
1129 HSX 0.8638
1130 3YP 0.8638
1131 6BL 0.8637
1132 GL1 0.8636
1133 AC2 0.8635
1134 GTC 0.8634
1135 LTT 0.8634
1136 TSU 0.8632
1137 5MI 0.8631
1138 DTE 0.8630
1139 BAM 0.8630
1140 14O 0.8630
1141 XYP 0.8628
1142 TFU 0.8627
1143 J9N 0.8627
1144 F05 0.8626
1145 HBA 0.8625
1146 28N 0.8625
1147 PHT 0.8624
1148 HX4 0.8619
1149 X8D 0.8618
1150 TZF 0.8618
1151 6HX 0.8617
1152 ANN 0.8617
1153 5QY 0.8616
1154 NIO 0.8615
1155 9X5 0.8614
1156 4YO 0.8614
1157 F6P 0.8612
1158 KIA 0.8611
1159 F60 0.8610
1160 428 0.8610
1161 11S 0.8609
1162 PH2 0.8608
1163 2KA 0.8608
1164 NK2 0.8607
1165 4ZA 0.8606
1166 XXP 0.8606
1167 CPZ 0.8605
1168 KDO 0.8604
1169 HNL 0.8604
1170 BNL 0.8603
1171 7A2 0.8601
1172 FBS 0.8601
1173 7B4 0.8600
1174 EVF 0.8599
1175 PBC 0.8598
1176 3C7 0.8597
1177 G3H 0.8595
1178 MMA 0.8594
1179 SE2 0.8593
1180 JUG 0.8591
1181 4PN 0.8591
1182 6F0 0.8591
1183 FB2 0.8591
1184 FUL 0.8590
1185 QX4 0.8590
1186 LMR 0.8589
1187 KYN 0.8588
1188 PVQ 0.8587
1189 GRE 0.8586
1190 260 0.8585
1191 JAA 0.8585
1192 DCO 0.8585
1193 NTN 0.8585
1194 CE2 0.8583
1195 J5I 0.8582
1196 5LD 0.8582
1197 4MA 0.8582
1198 FCR 0.8581
1199 GP1 0.8580
1200 FCB 0.8580
1201 3PO 0.8580
1202 VGL 0.8578
1203 HHR 0.8577
1204 FPK 0.8577
1205 MQN 0.8576
1206 SS1 0.8574
1207 1KP 0.8574
1208 5F5 0.8574
1209 M4S 0.8573
1210 NTM 0.8571
1211 ICF 0.8571
1212 GZ3 0.8569
1213 4VP 0.8568
1214 H6B 0.8568
1215 W8G 0.8567
1216 KLW 0.8563
1217 KGK 0.8563
1218 X1R 0.8562
1219 CLZ 0.8561
1220 MPV 0.8561
1221 MRZ 0.8559
1222 3SL 0.8559
1223 PNZ 0.8558
1224 4WL 0.8554
1225 KYD 0.8552
1226 PGH 0.8547
1227 5VL 0.8547
1228 3S4 0.8544
1229 4JL 0.8539
1230 HBD 0.8532
1231 3MA 0.8530
1232 49N 0.8530
1233 1Z6 0.8530
1234 AMS 0.8530
1235 PZA 0.8528
1236 EHM 0.8523
1237 M45 0.8518
1238 4SD 0.8517
1239 BZJ 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1AJQ; Ligand: SPA; 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: 1ajq.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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