Receptor
PDB id Resolution Class Description Source Keywords
4BNT 2.3 Å EC: 1.1.1.100 CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCT FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH 2-(TRIFLUOROMETB ENZIMIDAZOLE AT 2.3A RESOLUTION PSEUDOMONAS AERUGINOSA OXIDOREDUCTASE ROSSMANN FOLD FATTY ACID BIOSYNTHESIS
Ref.: DISCOVERY OF AN ALLOSTERIC INHIBITOR BINDING SITE I 3-OXO-ACYL-ACP REDUCTASE FROM PSEUDOMONAS AERUGINOS ACS CHEM.BIOL. V. 8 2518 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
36E C:1248;
B:1248;
Valid;
Valid;
none;
none;
ic50 = 137.69 uM
186.134 C8 H5 F3 N2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BNU 2 Å EC: 1.1.1.100 CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCT FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH 2-PHENYL-4-(1,2T RIAZOL-4-YL)QUINAZOLINE AT 2.0A RESOLUTION PSEUDOMONAS AERUGINOSA OXIDOREDUCTASE ROSSMANN FOLD FATTY ACID BIOSYNTHESIS
Ref.: DISCOVERY OF AN ALLOSTERIC INHIBITOR BINDING SITE I 3-OXO-ACYL-ACP REDUCTASE FROM PSEUDOMONAS AERUGINOS ACS CHEM.BIOL. V. 8 2518 2013
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 4BNT ic50 = 137.69 uM 36E C8 H5 F3 N2 c1ccc2c(c1....
2 4BNY ic50 = 0.08 uM 36I C16 H15 N3 O S c1ccc(cc1)....
3 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
4 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
5 4BO0 ic50 = 0.2 uM FXE C17 H18 N4 O3 Cn1c2cccc(....
6 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
8 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
9 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
10 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
11 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 4BNT ic50 = 137.69 uM 36E C8 H5 F3 N2 c1ccc2c(c1....
4 4BNY ic50 = 0.08 uM 36I C16 H15 N3 O S c1ccc(cc1)....
5 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
6 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
7 4BO0 ic50 = 0.2 uM FXE C17 H18 N4 O3 Cn1c2cccc(....
8 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
10 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
11 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
12 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
13 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
50% 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 3VZS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 4BNT ic50 = 137.69 uM 36E C8 H5 F3 N2 c1ccc2c(c1....
3 4BNY ic50 = 0.08 uM 36I C16 H15 N3 O S c1ccc(cc1)....
4 1NFR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1O5I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 2ZTL - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1ZK4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 3LQF - MRY C4 H10 O4 C([C@H]([C....
9 4GH5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 36E; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 36E 1 1
2 AX7 0.452381 0.606061
3 2XO 0.422222 0.606061
Similar Ligands (3D)
Ligand no: 1; Ligand: 36E; Similar ligands found: 899
No: Ligand Similarity coefficient
1 BZ2 0.9804
2 EVF 0.9803
3 ICB 0.9793
4 EXD 0.9762
5 6FZ 0.9732
6 MAJ 0.9670
7 ESP 0.9658
8 S7J 0.9624
9 3AE 0.9614
10 4P5 0.9601
11 MSR 0.9592
12 4WL 0.9573
13 F4E 0.9571
14 ESX 0.9569
15 LR5 0.9569
16 4ZA 0.9559
17 FBF 0.9552
18 4NZ 0.9543
19 SNU 0.9528
20 TZF 0.9518
21 PIM 0.9506
22 S0E 0.9492
23 428 0.9472
24 0HN 0.9470
25 6NT 0.9469
26 M4S 0.9468
27 2ZM 0.9459
28 5NI 0.9456
29 AM4 0.9455
30 4NB 0.9453
31 TSU 0.9447
32 4BY 0.9442
33 1F1 0.9442
34 3ZB 0.9437
35 ESI 0.9435
36 X0V 0.9432
37 0JD 0.9429
38 6NI 0.9424
39 0HO 0.9422
40 4JC 0.9420
41 4SX 0.9419
42 SKF 0.9413
43 ZEC 0.9412
44 4FH 0.9411
45 JAW 0.9408
46 XIY 0.9408
47 15N 0.9407
48 3NY 0.9407
49 AMS 0.9406
50 SNO 0.9396
51 4CM 0.9396
52 SAN 0.9393
53 1M2 0.9387
54 CPZ 0.9387
55 UNJ 0.9386
56 PIY 0.9384
57 9ZE 0.9378
58 4J8 0.9377
59 2O6 0.9376
60 EKZ 0.9375
61 5LA 0.9374
62 IAC 0.9369
63 IOS 0.9365
64 GWM 0.9362
65 FBS 0.9359
66 IFP 0.9356
67 4BL 0.9356
68 2HC 0.9355
69 AN3 0.9353
70 3A9 0.9347
71 0BP 0.9338
72 FCR 0.9334
73 2HU 0.9330
74 TCA 0.9328
75 BNL 0.9326
76 RNO 0.9318
77 KBZ 0.9315
78 8ZE 0.9313
79 6TZ 0.9313
80 KTW 0.9312
81 SLS 0.9311
82 JB8 0.9308
83 ABI 0.9308
84 9FL 0.9306
85 LQ2 0.9305
86 S7A 0.9305
87 J9Q 0.9301
88 GO8 0.9299
89 4BZ 0.9297
90 P9E 0.9295
91 PPY 0.9290
92 QMP 0.9288
93 PO6 0.9287
94 E1T 0.9286
95 JDN 0.9282
96 2BG 0.9278
97 4PN 0.9276
98 9CA 0.9274
99 L14 0.9273
100 1IT 0.9271
101 AAS 0.9269
102 8WO 0.9267
103 12T 0.9266
104 MP5 0.9266
105 IWT 0.9266
106 HX4 0.9263
107 AMH 0.9260
108 M3H 0.9259
109 GO2 0.9258
110 152 0.9255
111 LNR 0.9243
112 INO 0.9243
113 4LW 0.9242
114 GJP 0.9237
115 97T 0.9237
116 27B 0.9237
117 HA5 0.9234
118 C1M 0.9230
119 XCG 0.9228
120 DHB 0.9227
121 6KT 0.9227
122 EUE 0.9227
123 TYL 0.9227
124 L5V 0.9222
125 FK8 0.9221
126 1L5 0.9221
127 R20 0.9221
128 36Y 0.9220
129 N2M 0.9220
130 5GT 0.9218
131 E5X 0.9218
132 JLZ 0.9216
133 TMG 0.9215
134 XIZ 0.9214
135 HPS 0.9211
136 UFV 0.9209
137 HQJ 0.9208
138 PHB 0.9208
139 8NX 0.9206
140 ANN 0.9205
141 PNZ 0.9205
142 7VP 0.9199
143 8XL 0.9197
144 HBD 0.9196
145 1HN 0.9193
146 KYN 0.9191
147 4RU 0.9187
148 363 0.9185
149 0W1 0.9183
150 3PF 0.9182
151 HFA 0.9181
152 N3W 0.9181
153 52C 0.9179
154 J6W 0.9177
155 PJW 0.9173
156 BQ2 0.9167
157 DPN 0.9166
158 RP3 0.9164
159 X0U 0.9158
160 717 0.9156
161 1Y6 0.9156
162 5QY 0.9153
163 R9Y 0.9152
164 CXP 0.9149
165 2HO 0.9149
166 XXG 0.9148
167 K4V 0.9148
168 B85 0.9148
169 M6H 0.9144
170 YZM 0.9143
171 N1E 0.9142
172 3W8 0.9140
173 NNO 0.9139
174 SN4 0.9137
175 BPN 0.9136
176 HIS 0.9135
177 HC4 0.9134
178 B40 0.9134
179 8U3 0.9134
180 8WT 0.9134
181 FHB 0.9132
182 HCI 0.9130
183 9BF 0.9130
184 FHC 0.9129
185 HHI 0.9126
186 4NC 0.9125
187 1X4 0.9115
188 E7S 0.9115
189 AOT 0.9113
190 HDH 0.9112
191 M45 0.9110
192 KTA 0.9108
193 N2I 0.9108
194 3PG 0.9108
195 5XC 0.9107
196 93K 0.9107
197 E4P 0.9106
198 L99 0.9106
199 NCT 0.9106
200 4A3 0.9104
201 APS 0.9103
202 BZ3 0.9101
203 D48 0.9099
204 PAB 0.9096
205 N2Z 0.9093
206 657 0.9093
207 SG2 0.9092
208 NPO 0.9092
209 CHB 0.9091
210 KTJ 0.9091
211 4V2 0.9091
212 P80 0.9090
213 2FX 0.9090
214 3HM 0.9089
215 MR1 0.9088
216 15E 0.9086
217 UA5 0.9084
218 ABF 0.9083
219 GVG 0.9080
220 BZJ 0.9080
221 5OB 0.9080
222 EYV 0.9076
223 J9N 0.9076
224 ZYR 0.9075
225 TSR 0.9074
226 OTR 0.9073
227 9FE 0.9071
228 URO 0.9071
229 F4K 0.9070
230 P9P 0.9069
231 HG3 0.9067
232 JG8 0.9066
233 4JQ 0.9065
234 CH9 0.9063
235 TZM 0.9062
236 1Z6 0.9062
237 6RQ 0.9061
238 88L 0.9059
239 YOF 0.9059
240 2BX 0.9059
241 FA1 0.9058
242 P7Y 0.9058
243 4NM 0.9057
244 4LV 0.9052
245 KMY 0.9052
246 DAH 0.9051
247 1A7 0.9050
248 L22 0.9047
249 MYJ 0.9047
250 XX2 0.9044
251 ARP 0.9044
252 6QF 0.9042
253 9TW 0.9041
254 SVD 0.9039
255 Z13 0.9038
256 ET2 0.9036
257 F9Y 0.9035
258 PHE 0.9035
259 EN1 0.9035
260 BP7 0.9035
261 Q02 0.9034
262 PBZ 0.9033
263 PH3 0.9032
264 4MA 0.9031
265 535 0.9030
266 JRB 0.9029
267 92G 0.9029
268 6DP 0.9029
269 IHB 0.9027
270 68A 0.9021
271 XDK 0.9020
272 P72 0.9020
273 1FD 0.9020
274 CFA 0.9020
275 173 0.9019
276 GNM 0.9018
277 4I8 0.9017
278 3VX 0.9016
279 61M 0.9016
280 DEZ 0.9015
281 MQN 0.9015
282 0F9 0.9014
283 GZ2 0.9013
284 DHY 0.9012
285 I3E 0.9011
286 PHU 0.9008
287 JND 0.9007
288 NFA 0.9007
289 DTY 0.9006
290 TYR 0.9006
291 M4T 0.9006
292 RAT 0.9005
293 BNF 0.9005
294 BVA 0.9005
295 PFF 0.9004
296 6FB 0.9003
297 SW7 0.9002
298 TT4 0.9002
299 2QC 0.9001
300 S8V 0.9000
301 FBB 0.8999
302 LLH 0.8998
303 QSB 0.8997
304 ALE 0.8997
305 R1P 0.8994
306 PRA 0.8994
307 A5P 0.8994
308 BPY 0.8993
309 R2P 0.8992
310 PLP 0.8992
311 2MI 0.8991
312 LDP 0.8990
313 BZE 0.8990
314 BEA 0.8990
315 TPA 0.8988
316 4NS 0.8986
317 AC6 0.8984
318 4XF 0.8984
319 3R4 0.8983
320 K2T 0.8983
321 ABV 0.8983
322 FF2 0.8982
323 PAC 0.8980
324 ODO 0.8980
325 CLW 0.8980
326 ANC 0.8980
327 RP5 0.8978
328 CN0 0.8978
329 MPV 0.8977
330 TIH 0.8977
331 DHC 0.8977
332 0FK 0.8976
333 1BN 0.8976
334 505 0.8974
335 P81 0.8974
336 DHK 0.8972
337 Z82 0.8972
338 HHH 0.8971
339 826 0.8971
340 TYE 0.8971
341 COU 0.8970
342 4XV 0.8969
343 259 0.8969
344 QY9 0.8969
345 GDE 0.8969
346 M5H 0.8968
347 A29 0.8967
348 FZM 0.8966
349 9R5 0.8966
350 4JE 0.8965
351 GJZ 0.8965
352 N91 0.8965
353 QME 0.8964
354 HNK 0.8964
355 TGX 0.8959
356 TAG 0.8959
357 DDU 0.8959
358 4AA 0.8959
359 F31 0.8957
360 NYL 0.8957
361 56D 0.8956
362 AA 0.8956
363 5TY 0.8956
364 JTH 0.8955
365 G3E 0.8955
366 GVY 0.8955
367 TRP 0.8955
368 P92 0.8953
369 SE2 0.8953
370 03V 0.8953
371 4YO 0.8953
372 4FA 0.8953
373 8HC 0.8951
374 SKM 0.8950
375 J5I 0.8949
376 SEP 0.8949
377 AEG 0.8949
378 K34 0.8948
379 5RO 0.8948
380 ES2 0.8947
381 ROI 0.8945
382 92K 0.8944
383 E3X 0.8944
384 5VL 0.8944
385 ASC 0.8943
386 ENO 0.8943
387 AKG 0.8941
388 8NB 0.8940
389 270 0.8940
390 K7M 0.8939
391 ZYX 0.8939
392 ANF 0.8938
393 URS 0.8938
394 H42 0.8937
395 FBW 0.8937
396 BDP 0.8937
397 1P8 0.8935
398 CFI 0.8935
399 ES5 0.8934
400 QIV 0.8934
401 ONR 0.8933
402 94W 0.8933
403 J9T 0.8932
404 1SA 0.8932
405 A7N 0.8931
406 3QM 0.8931
407 N9J 0.8930
408 KYA 0.8930
409 BHQ 0.8929
410 DHI 0.8928
411 HNH 0.8927
412 X48 0.8927
413 KDV 0.8923
414 A5E 0.8923
415 A7H 0.8921
416 VNL 0.8920
417 HNL 0.8920
418 S2P 0.8919
419 ZIQ 0.8918
420 SYV 0.8918
421 4XS 0.8917
422 13P 0.8917
423 GCO 0.8916
424 KW8 0.8916
425 JB5 0.8914
426 PBN 0.8913
427 795 0.8913
428 NAG 0.8913
429 2F6 0.8912
430 FA0 0.8911
431 K5W 0.8911
432 1VK 0.8911
433 174 0.8911
434 AX3 0.8911
435 0NX 0.8911
436 3VS 0.8908
437 Y3L 0.8907
438 0TU 0.8907
439 2HG 0.8905
440 M5E 0.8904
441 R9J 0.8904
442 4FS 0.8903
443 2AQ 0.8903
444 4HP 0.8903
445 3C4 0.8902
446 4NP 0.8901
447 MAH 0.8901
448 FUD 0.8900
449 BRH 0.8899
450 QMS 0.8898
451 DS0 0.8898
452 ZXD 0.8898
453 STT 0.8898
454 N8Y 0.8898
455 4JT 0.8896
456 SOR 0.8895
457 4MB 0.8895
458 OGA 0.8894
459 258 0.8894
460 M1Z 0.8894
461 4BF 0.8893
462 DHS 0.8892
463 IPD 0.8890
464 AES 0.8890
465 ISZ 0.8888
466 HHS 0.8887
467 DE5 0.8885
468 DNF 0.8885
469 E7Z 0.8882
470 EGR 0.8880
471 YRL 0.8879
472 LAO 0.8879
473 36R 0.8879
474 DX3 0.8878
475 VGD 0.8878
476 9UL 0.8878
477 3HP 0.8878
478 8W9 0.8878
479 IYR 0.8877
480 S2G 0.8873
481 BIK 0.8872
482 HSO 0.8871
483 C82 0.8870
484 5VM 0.8866
485 PGH 0.8866
486 AY4 0.8865
487 2K8 0.8864
488 2FQ 0.8863
489 36M 0.8862
490 LVD 0.8861
491 XM0 0.8861
492 DXP 0.8859
493 V1T 0.8858
494 1XA 0.8858
495 XDE 0.8857
496 C53 0.8856
497 DIN 0.8856
498 YIE 0.8855
499 D3G 0.8855
500 CWJ 0.8855
501 3VW 0.8855
502 92P 0.8854
503 2FY 0.8853
504 YTX 0.8852
505 PPT 0.8850
506 AEF 0.8849
507 AAN 0.8849
508 PBA 0.8848
509 JBZ 0.8847
510 268 0.8847
511 Y4L 0.8846
512 OCH 0.8844
513 VXX 0.8843
514 PEY 0.8843
515 HSX 0.8842
516 AZM 0.8841
517 THA 0.8840
518 H5B 0.8839
519 MXD 0.8837
520 QSH 0.8836
521 H4E 0.8834
522 CTL 0.8833
523 5GU 0.8831
524 VC3 0.8828
525 M2K 0.8827
526 0FN 0.8826
527 KJU 0.8825
528 7MU 0.8823
529 KOJ 0.8823
530 GP9 0.8823
531 NF3 0.8822
532 SQ4 0.8820
533 1DV 0.8820
534 JF1 0.8820
535 MSL 0.8820
536 BHO 0.8819
537 JP2 0.8819
538 AMQ 0.8819
539 3QV 0.8817
540 TWO 0.8817
541 D5X 0.8817
542 JF6 0.8815
543 ICO 0.8814
544 TU0 0.8814
545 E0O 0.8814
546 1WC 0.8813
547 39O 0.8811
548 QBP 0.8811
549 LSQ 0.8810
550 R9S 0.8810
551 DHR 0.8809
552 S0D 0.8807
553 A7W 0.8806
554 SHI 0.8805
555 DC5 0.8805
556 DZA 0.8803
557 ASO 0.8798
558 SQ7 0.8798
559 Z5P 0.8797
560 DNA 0.8797
561 RUY 0.8797
562 3YP 0.8796
563 GF4 0.8795
564 NIZ 0.8793
565 PUE 0.8792
566 CSN 0.8792
567 8OZ 0.8791
568 PZM 0.8791
569 TSS 0.8791
570 069 0.8788
571 LT2 0.8788
572 HHR 0.8788
573 RKV 0.8787
574 F1A 0.8787
575 CXH 0.8786
576 PH2 0.8786
577 5WV 0.8786
578 RMN 0.8785
579 51R 0.8784
580 MS9 0.8783
581 JA8 0.8783
582 FQX 0.8783
583 NPA 0.8782
584 RA7 0.8782
585 2FT 0.8782
586 BHA 0.8780
587 DQA 0.8779
588 8K2 0.8779
589 GLU 0.8777
590 ADA 0.8777
591 CXF 0.8777
592 DOB 0.8776
593 KUF 0.8775
594 FA3 0.8775
595 3FH 0.8775
596 IV2 0.8773
597 HPP 0.8773
598 CCU 0.8772
599 4M0 0.8771
600 LPK 0.8771
601 C2Y 0.8770
602 THU 0.8770
603 KGK 0.8770
604 B1J 0.8770
605 3HG 0.8769
606 G3H 0.8769
607 Q04 0.8768
608 PMB 0.8767
609 JA5 0.8765
610 FBM 0.8764
611 GLN 0.8764
612 2AL 0.8764
613 7MX 0.8763
614 7MW 0.8763
615 FWD 0.8762
616 NDH 0.8760
617 GCU 0.8760
618 449 0.8759
619 K7H 0.8759
620 M4E 0.8759
621 S60 0.8758
622 FAN 0.8755
623 PQK 0.8754
624 S0W 0.8753
625 A9P 0.8752
626 JF2 0.8751
627 7O4 0.8750
628 GTR 0.8750
629 344 0.8750
630 URC 0.8750
631 86L 0.8749
632 4Z4 0.8748
633 AL0 0.8747
634 XCZ 0.8747
635 DCZ 0.8745
636 GUA 0.8745
637 QQQ 0.8743
638 FB2 0.8743
639 I3A 0.8741
640 OQC 0.8740
641 80G 0.8739
642 SRO 0.8739
643 30G 0.8739
644 FGZ 0.8739
645 5CU 0.8739
646 5RN 0.8738
647 CTE 0.8738
648 IPB 0.8738
649 1PS 0.8737
650 TTL 0.8736
651 EA1 0.8735
652 PZI 0.8735
653 F9P 0.8735
654 KMH 0.8734
655 QIC 0.8734
656 MRW 0.8734
657 DER 0.8733
658 XQ0 0.8731
659 HIC 0.8729
660 OMD 0.8729
661 54Z 0.8729
662 Q06 0.8729
663 46P 0.8728
664 H8N 0.8727
665 86J 0.8727
666 EUG 0.8727
667 23J 0.8726
668 G3P 0.8724
669 RSO 0.8723
670 PMP 0.8722
671 4HB 0.8722
672 GZL 0.8721
673 IL5 0.8720
674 6VD 0.8720
675 M3E 0.8719
676 45L 0.8719
677 SHA 0.8718
678 BGU 0.8717
679 CWM 0.8716
680 I2E 0.8715
681 L7T 0.8714
682 3SL 0.8713
683 BGC 0.8713
684 ES0 0.8713
685 AJY 0.8712
686 I4D 0.8711
687 GCB 0.8710
688 CK2 0.8708
689 GZ3 0.8708
690 7WR 0.8707
691 DVQ 0.8707
692 5RP 0.8707
693 YPN 0.8706
694 5QX 0.8705
695 549 0.8704
696 GLC 0.8704
697 G6P 0.8700
698 2KA 0.8700
699 2CZ 0.8700
700 LTL 0.8697
701 PEP 0.8697
702 QX4 0.8695
703 SMN 0.8695
704 SV4 0.8695
705 PHI 0.8695
706 TB8 0.8694
707 4XR 0.8694
708 6SD 0.8693
709 B62 0.8693
710 FP1 0.8691
711 Q88 0.8690
712 DGJ 0.8689
713 JCZ 0.8689
714 XHP 0.8688
715 2EC 0.8688
716 HBA 0.8685
717 12Q 0.8685
718 QBK 0.8685
719 3J8 0.8683
720 5NU 0.8682
721 JAE 0.8681
722 SWX 0.8681
723 MJ2 0.8681
724 3OC 0.8680
725 KJH 0.8680
726 K80 0.8679
727 4HM 0.8679
728 DUR 0.8678
729 ALA ALA 0.8677
730 FDR 0.8676
731 TTY 0.8676
732 5OO 0.8675
733 OOG 0.8675
734 CC5 0.8674
735 4MU 0.8674
736 OVM 0.8673
737 5XB 0.8671
738 SYA 0.8671
739 5GV 0.8670
740 CWS 0.8670
741 HRM 0.8669
742 6ZX 0.8669
743 UFO 0.8667
744 RHU 0.8666
745 NDG 0.8665
746 S24 0.8664
747 X11 0.8664
748 AJV 0.8663
749 8TX 0.8663
750 44V 0.8662
751 ITE 0.8662
752 GAB 0.8662
753 7N0 0.8662
754 HL4 0.8662
755 DEE 0.8660
756 7WG 0.8660
757 NOJ 0.8660
758 3VQ 0.8660
759 A13 0.8659
760 0FR 0.8659
761 NLA 0.8658
762 PRZ 0.8656
763 HKD 0.8655
764 I1E 0.8654
765 ES7 0.8654
766 GDL 0.8654
767 DMD 0.8652
768 DPT 0.8650
769 L13 0.8650
770 DGL 0.8649
771 PC 0.8649
772 BBK 0.8648
773 BEZ 0.8646
774 7W1 0.8646
775 LZ2 0.8646
776 CCE 0.8646
777 AHR 0.8645
778 ISN 0.8644
779 DA4 0.8643
780 0N7 0.8642
781 N0Z 0.8642
782 BGP 0.8641
783 GPF 0.8641
784 MD6 0.8641
785 3AB 0.8641
786 PMF 0.8640
787 KJ5 0.8639
788 THM 0.8639
789 44W 0.8638
790 4ME 0.8638
791 2HQ 0.8638
792 GPJ 0.8637
793 L03 0.8637
794 DRG 0.8637
795 KKN 0.8637
796 54X 0.8635
797 4TU 0.8634
798 HQT 0.8632
799 HBO 0.8632
800 LIP 0.8632
801 GF1 0.8631
802 PRL 0.8626
803 PEA 0.8625
804 FBU 0.8624
805 B4O 0.8623
806 3HB 0.8622
807 CIT 0.8621
808 EMZ 0.8621
809 DGN 0.8621
810 7W4 0.8620
811 ZME 0.8620
812 42J 0.8619
813 GAL 0.8618
814 8CM 0.8616
815 5NS 0.8614
816 GOJ 0.8614
817 LO1 0.8611
818 50C 0.8610
819 PD2 0.8610
820 F02 0.8608
821 EVA 0.8608
822 0P6 0.8607
823 14O 0.8606
824 4VP 0.8605
825 3PO 0.8605
826 SD4 0.8604
827 HQD 0.8602
828 SJK 0.8601
829 0FO 0.8600
830 209 0.8600
831 S0G 0.8600
832 DBX 0.8599
833 ST3 0.8599
834 KT7 0.8596
835 ODK 0.8596
836 H4B 0.8595
837 AZ9 0.8595
838 H2B 0.8595
839 HBI 0.8595
840 EQW 0.8593
841 2A9 0.8593
842 KBB 0.8593
843 3HA 0.8592
844 DQU 0.8592
845 K25 0.8592
846 N2Y 0.8591
847 OW4 0.8591
848 HNT 0.8590
849 FB1 0.8588
850 CCD 0.8588
851 3Z8 0.8587
852 OVV 0.8586
853 HMH 0.8585
854 5AD 0.8583
855 PXL 0.8583
856 SOE 0.8580
857 DBH 0.8580
858 APG 0.8580
859 11S 0.8578
860 SKA 0.8578
861 9FH 0.8577
862 LJ3 0.8576
863 OTW 0.8576
864 6OT 0.8576
865 V55 0.8574
866 9NB 0.8572
867 FBV 0.8572
868 QWN 0.8571
869 RYV 0.8568
870 TH7 0.8567
871 CNI 0.8565
872 4KL 0.8562
873 BZX 0.8562
874 8G0 0.8561
875 8MO 0.8560
876 EZL 0.8559
877 0SY 0.8559
878 KF5 0.8559
879 7BC 0.8559
880 0XT 0.8557
881 PFL 0.8554
882 FER 0.8554
883 LYS 0.8554
884 D2G 0.8553
885 261 0.8552
886 J9W 0.8552
887 B57 0.8550
888 CLZ 0.8549
889 6J5 0.8543
890 1A5 0.8543
891 OA3 0.8541
892 W29 0.8541
893 FLC 0.8539
894 6HO 0.8533
895 M6P 0.8529
896 PSE 0.8526
897 GHM 0.8525
898 NCA 0.8518
899 3Y7 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BNU; Ligand: 9KQ; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4bnu.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 5Z84 CHD 19.1781
Pocket No.: 2; Query (leader) PDB : 4BNU; Ligand: 9KQ; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 4bnu.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 5Z84 CHD 19.1781
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