Receptor
PDB id Resolution Class Description Source Keywords
5Z9P 1.45 Å EC: 5.99.1.3 BACTERIAL GYRB ATPASE DOMAIN IN COMPLEX WITH A CHEMICAL FRAG STAPHYLOCOCCUS AUREUS DNA TOPOISOMERASE ANTIBACTERIAL DRUG TARGET FRAGMENT-BASEDISCOVERY ISOMERASE
Ref.: IDENTIFICATION OF AN AUXILIARY DRUGGABLE POCKET IN GYRASE ATPASE DOMAIN USING FRAGMENT PROBES MEDCHEMCOMM V. 9 1619 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AX7 A:301;
B:301;
 Valid;
Valid;
 none;
none;
 submit data
133.151 C7 H7 N3 c1ccc...
MG B:302;
A:302;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TTZ 1.63 Å EC: 5.99.1.3 CRYSTAL STRUCTURE OF A TOPOISOMERASE ATPASE INHIBITOR STAPHYLOCOCCUS AUREUS PROTEIN-INHIBITOR COMPLEX ATP-BINDING STRUCTURE-BASED DRUGANTIMICROBIAL ISOMERASE-ISOMERASE INHIBITOR COMPLEX
Ref.: PYRROLAMIDE DNA GYRASE INHIBITORS: OPTIMIZATION OF ANTIBACTERIAL ACTIVITY AND EFFICACY. BIOORG.MED.CHEM.LETT. V. 21 7416 2011
Members (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 5D7D - 57X C17 H15 N5 O S CCCN1c2c(c....
2 5CTY ic50 = 0.265 uM 55H C14 H9 N5 O S c1cc(cnc1)....
3 5D7R ic50 = 0.013 uM 57Y C19 H16 N4 O4 S CCCc1c(ccc....
4 5CTW - 55D C9 H12 N2 O2 S CCCC(=O)Nc....
5 5CTU - 54X C10 H6 N2 O S2 c1cc(sc1)c....
6 3U2D - 08B C16 H18 Br N5 O3 Cc1c(cc([n....
7 5CTX ic50 = 1.32 uM 55G C20 H13 N5 O S c1ccc(cc1)....
8 3TTZ ic50 = 0.004 uM 07N C15 H15 Cl2 F N4 O3 S Cc1c(c(c([....
9 5D6Q ic50 = 5.8 uM 57V C17 H17 N5 O S CCNC(=O)Nc....
10 3U2K - 087 C17 H18 Cl3 N5 O2 Cc1c(c(c([....
11 5D6P ic50 = 2.5 uM 57U C11 H14 N4 O2 S CCNC(=O)Nc....
12 5Z9P - AX7 C7 H7 N3 c1ccc2c(c1....
13 5D7C ic50 = 0.14 uM 57W C20 H18 N6 O CCNC(=O)Nc....
14 6TCK - N1N C21 H15 Cl2 N3 O4 S Cc1c(c(c([....
15 5CPH - EVO C14 H10 N2 O c1ccc2c(c1....
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 5D7D - 57X C17 H15 N5 O S CCCN1c2c(c....
2 5CTY ic50 = 0.265 uM 55H C14 H9 N5 O S c1cc(cnc1)....
3 5D7R ic50 = 0.013 uM 57Y C19 H16 N4 O4 S CCCc1c(ccc....
4 5CTW - 55D C9 H12 N2 O2 S CCCC(=O)Nc....
5 5CTU - 54X C10 H6 N2 O S2 c1cc(sc1)c....
6 3U2D - 08B C16 H18 Br N5 O3 Cc1c(cc([n....
7 5CTX ic50 = 1.32 uM 55G C20 H13 N5 O S c1ccc(cc1)....
8 3TTZ ic50 = 0.004 uM 07N C15 H15 Cl2 F N4 O3 S Cc1c(c(c([....
9 5D6Q ic50 = 5.8 uM 57V C17 H17 N5 O S CCNC(=O)Nc....
10 3U2K - 087 C17 H18 Cl3 N5 O2 Cc1c(c(c([....
11 5D6P ic50 = 2.5 uM 57U C11 H14 N4 O2 S CCNC(=O)Nc....
12 5Z9P - AX7 C7 H7 N3 c1ccc2c(c1....
13 5D7C ic50 = 0.14 uM 57W C20 H18 N6 O CCNC(=O)Nc....
14 6TCK - N1N C21 H15 Cl2 N3 O4 S Cc1c(c(c([....
15 5CPH - EVO C14 H10 N2 O c1ccc2c(c1....
16 4P8O - 883 C19 H16 F N7 O CCNC(=O)Nc....
17 6Y8N ic50 = 9 nM OGH C21 H21 F N8 O Cc1ncc(cn1....
18 6Y8L - NOV C31 H36 N2 O11 Cc1c(ccc2c....
19 4B6C ic50 = 0.69 uM B5U C27 H34 N6 O2 Cc1ccc(cc1....
20 4BAE ic50 = 3 nM RWX C19 H21 Br Cl N7 O4 S Cc1c(c(c([....
50% Homology Family (67)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4URL ic50 = 500 nM XAM C44 H60 Cl2 N4 O14 Cc1c(c(c([....
2 5CTW - 55D C9 H12 N2 O2 S CCCC(=O)Nc....
3 5CTU - 54X C10 H6 N2 O S2 c1cc(sc1)c....
4 3U2D - 08B C16 H18 Br N5 O3 Cc1c(cc([n....
5 5CTX ic50 = 1.32 uM 55G C20 H13 N5 O S c1ccc(cc1)....
6 3TTZ ic50 = 0.004 uM 07N C15 H15 Cl2 F N4 O3 S Cc1c(c(c([....
7 5D6Q ic50 = 5.8 uM 57V C17 H17 N5 O S CCNC(=O)Nc....
8 3U2K - 087 C17 H18 Cl3 N5 O2 Cc1c(c(c([....
9 5D6P ic50 = 2.5 uM 57U C11 H14 N4 O2 S CCNC(=O)Nc....
10 5Z9P - AX7 C7 H7 N3 c1ccc2c(c1....
11 5D7C ic50 = 0.14 uM 57W C20 H18 N6 O CCNC(=O)Nc....
12 6TCK - N1N C21 H15 Cl2 N3 O4 S Cc1c(c(c([....
13 5CPH - EVO C14 H10 N2 O c1ccc2c(c1....
14 6YD9 ic50 = 110 nM ON2 C16 H15 Cl2 N5 O2 S Cc1c(c(c([....
15 6F94 ic50 = 0.099 uM D0H C23 H25 N5 O2 CCNC(=O)Nc....
16 5Z9Q - HX4 C9 H9 N3 c1ccc(cc1)....
17 6KZX ic50 = 0.2 uM E0L C18 H15 N3 O4 CNc1cccc2c....
18 5Z4H - AX7 C7 H7 N3 c1ccc2c(c1....
19 5Z9L - 8H8 C7 H4 F N O c1cc(c(cc1....
20 5Z9E - AX7 C7 H7 N3 c1ccc2c(c1....
21 1KZN Kd = 1.2 nM CBN C35 H37 Cl N2 O11 Cc1ccc([nH....
22 1AJ6 Kd = 1.2 uM NOV C31 H36 N2 O11 Cc1c(ccc2c....
23 5Z9B - AX7 C7 H7 N3 c1ccc2c(c1....
24 6KZZ ic50 = 0.0017 uM E0R C18 H15 N3 O4 CNc1cccc2c....
25 5MMO - 9JG C22 H21 N5 O3 CCNC(=O)Nc....
26 6F86 ic50 = 0.037 uM CWW C17 H16 Br N7 O2 CCNC(=O)Nc....
27 5Z4O - HX8 C12 H10 O2 c1ccc(cc1)....
28 6F8J ic50 = 0.086 uM CZ5 C17 H17 N7 O2 CCNC(=O)Nc....
29 5MMP ic50 = 0.03 uM G3Z C22 H20 N6 O CCNC(=O)Nc....
30 4DUH Kd = 6.6 uM RLI C17 H16 N4 O3 S2 CCC(=O)Nc1....
31 7C7O ic50 = 0.52 nM FKU C21 H22 F N5 O4 CNc1cc(cc2....
32 7C7N ic50 = 0.36 nM FKR C18 H14 F N3 O4 CNc1cc(cc2....
33 5MMN ic50 = 0.125 uM O54 C19 H20 N4 O CCNC(=O)Nc....
34 6F96 ic50 = 0.019 uM D0K C21 H22 N6 O3 CCNC(=O)Nc....
35 5Z9F - AX7 C7 H7 N3 c1ccc2c(c1....
36 6ENH - BHW C55 H59 N5 O20 Cc1ccc([nH....
37 1KIJ - NOV C31 H36 N2 O11 Cc1c(ccc2c....
38 4WUB - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
39 4PRX - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
40 6ENG - BHW C55 H59 N5 O20 Cc1ccc([nH....
41 4XTJ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
42 1EI1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
43 4PU9 - ADP BEF n/a n/a
44 4WUC - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
45 4PRV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
46 4WUD - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
47 4ZVI Kd = 0.47 uM 4S4 C14 H11 Br2 N3 O4 c1cc(ccc1C....
48 1S16 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
49 4URN - NOV C31 H36 N2 O11 Cc1c(ccc2c....
50 4HY1 Ki = 2 nM 19X C20 H19 Cl N6 O S CCc1c(c2c(....
51 4HYM Ki = 6 nM CJC C19 H19 Cl N8 O S CCc1c(c2c(....
52 4HXW Ki = 2 nM 1A0 C19 H19 Cl N8 S CCc1c(c2c(....
53 4GFN Ki = 5 nM SUY C17 H18 Cl N7 S CCc1c(c2c(....
54 4P8O - 883 C19 H16 F N7 O CCNC(=O)Nc....
55 6Y8N ic50 = 9 nM OGH C21 H21 F N8 O Cc1ncc(cn1....
56 6Y8L - NOV C31 H36 N2 O11 Cc1c(ccc2c....
57 4B6C ic50 = 0.69 uM B5U C27 H34 N6 O2 Cc1ccc(cc1....
58 4LP0 ic50 < 10 nM 1YM C18 H14 F3 N5 O3 S CCNC(=O)Nc....
59 4EMV ic50 = 0.005 uM 0R9 C20 H15 F3 N6 O3 CCNC(=O)c1....
60 4MB9 - 28F C18 H20 N6 O3 S CCNC(=O)Nc....
61 4MBC - 28G C21 H24 N6 O3 S C=CCNC(=O)....
62 4LPB ic50 < 10 nM 1YP C19 H14 F3 N7 O3 S CCNC(=O)Nc....
63 4MOT - 2B7 C20 H23 N5 O2 S CC(C)CCN1c....
64 4EM7 ic50 = 7.7 uM 0RA C16 H14 N2 O2 c1cc(cc(c1....
65 6M1S Ki < 1 nM EZ9 C26 H23 F4 N7 O3 CCNc1cc(cc....
66 6M1J Ki = 2 nM EZ6 C24 H17 F4 N7 O2 CNc1cc(cc2....
67 4BAE ic50 = 3 nM RWX C19 H21 Br Cl N7 O4 S Cc1c(c(c([....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AX7; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 AX7 1 1
2 VGD 0.465116 0.875
3 36E 0.452381 0.606061
4 1M2 0.452381 0.9
5 ET2 0.431818 0.875
Similar Ligands (3D)
Ligand no: 1; Ligand: AX7; Similar ligands found: 1307
No: Ligand Similarity coefficient
1 270 1.0000
2 2MI 1.0000
3 GLY GLY 1.0000
4 ABV 0.9998
5 P92 0.9994
6 XM0 0.9924
7 1PT 0.9892
8 5WV 0.9797
9 BZX 0.9790
10 NPO 0.9790
11 LZ1 0.9760
12 03V 0.9760
13 Q88 0.9759
14 ES0 0.9757
15 DEN 0.9756
16 CWM 0.9755
17 PHB 0.9753
18 0R1 0.9748
19 BZI 0.9748
20 MPI 0.9745
21 QUZ 0.9743
22 IND 0.9739
23 NPY 0.9738
24 COU 0.9732
25 JAE 0.9727
26 4FS 0.9727
27 BEZ 0.9727
28 14O 0.9722
29 F60 0.9721
30 5H1 0.9717
31 BAM 0.9716
32 FBB 0.9715
33 PEA 0.9714
34 BZF 0.9713
35 6AI 0.9713
36 BEN 0.9711
37 NCA 0.9711
38 36R 0.9710
39 ISN 0.9710
40 HBD 0.9707
41 5MI 0.9706
42 5VM 0.9705
43 JB5 0.9703
44 0CT 0.9702
45 CLW 0.9701
46 ES5 0.9701
47 GVH 0.9699
48 4JP 0.9699
49 ES7 0.9693
50 2K4 0.9692
51 H42 0.9692
52 2AQ 0.9687
53 5MB 0.9686
54 XIY 0.9685
55 1P8 0.9682
56 K2T 0.9680
57 6PC 0.9680
58 7W4 0.9675
59 ES2 0.9671
60 KKN 0.9661
61 717 0.9661
62 11S 0.9653
63 PAB 0.9650
64 3ID 0.9648
65 NTN 0.9648
66 YCP 0.9646
67 NIO 0.9643
68 4XR 0.9643
69 IDM 0.9642
70 NIZ 0.9640
71 AHR 0.9640
72 1Y6 0.9638
73 OCH 0.9637
74 XQ0 0.9636
75 2CK 0.9630
76 ES9 0.9627
77 5XC 0.9618
78 KOJ 0.9616
79 PBZ 0.9613
80 2D0 0.9608
81 4MA 0.9605
82 H4N 0.9602
83 VGL 0.9600
84 FK1 0.9597
85 ISZ 0.9596
86 RSO 0.9596
87 NBZ 0.9595
88 826 0.9594
89 HBA 0.9593
90 174 0.9592
91 DMD 0.9587
92 P72 0.9582
93 FYU 0.9579
94 BZ3 0.9579
95 173 0.9575
96 GLC 0.9574
97 5OB 0.9573
98 TH7 0.9569
99 8ZE 0.9567
100 FPI 0.9567
101 HMH 0.9564
102 DOB 0.9560
103 2BG 0.9559
104 BHA 0.9557
105 FA0 0.9555
106 H8N 0.9554
107 4M0 0.9554
108 JA8 0.9554
109 Z82 0.9554
110 AMC 0.9554
111 BHO 0.9553
112 5NU 0.9550
113 JZ9 0.9550
114 CFI 0.9546
115 5CU 0.9542
116 UNU 0.9542
117 A7W 0.9540
118 I1E 0.9539
119 BE7 0.9537
120 XYP 0.9534
121 PHU 0.9530
122 AC0 0.9528
123 3PF 0.9527
124 4P5 0.9523
125 BGC 0.9521
126 9EW 0.9520
127 DHB 0.9520
128 M1A 0.9519
129 67N 0.9517
130 PZA 0.9517
131 6RQ 0.9514
132 1MC 0.9514
133 1SQ 0.9513
134 4FA 0.9513
135 5SG 0.9512
136 DIN 0.9509
137 MCT 0.9509
138 0RW 0.9508
139 FAN 0.9506
140 MRW 0.9506
141 SAL 0.9506
142 5IQ 0.9504
143 1LQ 0.9501
144 M4T 0.9500
145 NK 0.9499
146 HPA 0.9497
147 F05 0.9496
148 8NY 0.9495
149 N5J 0.9494
150 ADE 0.9494
151 6M9 0.9494
152 OAA 0.9493
153 LXC 0.9491
154 SVN 0.9490
155 5Q0 0.9489
156 TH0 0.9485
157 PBC 0.9485
158 TTL 0.9483
159 TPA 0.9483
160 HQY 0.9482
161 4YS 0.9481
162 ES1 0.9480
163 URC 0.9480
164 URF 0.9475
165 24W 0.9475
166 JPZ 0.9472
167 OK7 0.9470
168 4HO 0.9469
169 10L 0.9467
170 1DW 0.9467
171 1NP 0.9467
172 PZI 0.9467
173 HLR 0.9466
174 BE2 0.9466
175 FBM 0.9466
176 SS1 0.9466
177 4JU 0.9462
178 4VP 0.9461
179 F9P 0.9461
180 NOJ 0.9460
181 WBU 0.9458
182 6M4 0.9458
183 SYV 0.9457
184 4JT 0.9457
185 TDR 0.9456
186 12Q 0.9454
187 8GC 0.9453
188 MWM 0.9451
189 5QY 0.9450
190 CTL 0.9445
191 KJH 0.9444
192 PXL 0.9444
193 BSX 0.9443
194 275 0.9442
195 JLZ 0.9440
196 4CS 0.9439
197 F9Y 0.9438
198 R8V 0.9436
199 4NC 0.9435
200 86J 0.9431
201 7W1 0.9431
202 4JQ 0.9431
203 ICP 0.9430
204 PYD 0.9430
205 HBX 0.9429
206 I3A 0.9428
207 XBZ 0.9428
208 54D 0.9427
209 MQN 0.9427
210 XX2 0.9426
211 INO 0.9425
212 K34 0.9424
213 4BZ 0.9424
214 QWN 0.9422
215 9DA 0.9421
216 PRO 0.9421
217 2AC 0.9420
218 8H8 0.9420
219 4SV 0.9420
220 2MH 0.9420
221 4ZE 0.9419
222 AC6 0.9417
223 MZG 0.9417
224 BTY 0.9415
225 XYD 0.9412
226 JBE 0.9411
227 G3E 0.9411
228 3AB 0.9411
229 5QX 0.9410
230 SYN 0.9410
231 7HP 0.9409
232 5JQ 0.9409
233 1P7 0.9409
234 282 0.9408
235 GAB 0.9407
236 4CL 0.9405
237 NBE 0.9405
238 MR1 0.9405
239 3NT 0.9402
240 P9P 0.9402
241 7WA 0.9400
242 BPN 0.9400
243 5UC 0.9396
244 3HB 0.9396
245 2MP 0.9395
246 PYF 0.9395
247 J1Z 0.9394
248 4JJ 0.9394
249 2HO 0.9394
250 9HX 0.9393
251 34A 0.9393
252 3U4 0.9393
253 8WT 0.9393
254 E5X 0.9393
255 7HQ 0.9392
256 SW7 0.9392
257 BP1 0.9391
258 4XH 0.9391
259 DE5 0.9391
260 FHB 0.9387
261 HH8 0.9386
262 6MP 0.9385
263 NNO 0.9385
264 HQT 0.9385
265 2HQ 0.9385
266 5JC 0.9384
267 75K 0.9383
268 FOA 0.9383
269 BZ2 0.9382
270 5HN 0.9381
271 5MH 0.9381
272 MYJ 0.9378
273 JZ2 0.9377
274 JZ3 0.9377
275 RSF 0.9377
276 D48 0.9376
277 PM6 0.9375
278 J6W 0.9375
279 A1U 0.9374
280 PIM 0.9374
281 HIS 0.9374
282 ABN 0.9373
283 LG4 0.9371
284 PLQ 0.9370
285 B55 0.9370
286 ES4 0.9370
287 IV2 0.9370
288 3OC 0.9370
289 23A 0.9369
290 CXF 0.9369
291 3HM 0.9368
292 KDV 0.9368
293 HQE 0.9367
294 3HA 0.9367
295 4A3 0.9366
296 0P6 0.9366
297 8TX 0.9362
298 YRL 0.9362
299 3F0 0.9362
300 261 0.9362
301 PY7 0.9361
302 BR9 0.9359
303 93K 0.9358
304 ES6 0.9358
305 27Y 0.9358
306 CWS 0.9357
307 ICB 0.9357
308 2YU 0.9357
309 XAZ 0.9355
310 J9Q 0.9355
311 O72 0.9354
312 B57 0.9354
313 KUF 0.9354
314 FPN 0.9353
315 4WL 0.9353
316 PCR 0.9352
317 EA1 0.9350
318 4ZA 0.9349
319 5B1 0.9347
320 PAC 0.9346
321 QXW 0.9345
322 ESP 0.9345
323 92K 0.9344
324 PXY 0.9343
325 MWJ 0.9342
326 0TU 0.9341
327 FPY 0.9340
328 BML 0.9339
329 DA1 0.9337
330 N2I 0.9337
331 5JL 0.9335
332 SE2 0.9332
333 TM7 0.9332
334 53C 0.9331
335 PBA 0.9330
336 FBA 0.9329
337 FP1 0.9327
338 6FZ 0.9326
339 MLT 0.9323
340 25R 0.9322
341 QSC 0.9320
342 SKA 0.9320
343 JBH 0.9319
344 ANN 0.9318
345 0JD 0.9318
346 JBK 0.9317
347 DBH 0.9317
348 ADZ 0.9317
349 HT4 0.9316
350 43M 0.9314
351 JKE 0.9314
352 HH5 0.9314
353 SOE 0.9314
354 MS9 0.9312
355 RM1 0.9312
356 BTE 0.9311
357 FE DB1 0.9311
358 J5I 0.9309
359 0R0 0.9308
360 PYC 0.9306
361 4CH 0.9304
362 3M0 0.9303
363 4YO 0.9302
364 1LM 0.9301
365 97T 0.9301
366 9TW 0.9300
367 GUN 0.9300
368 8CM 0.9299
369 OVV 0.9299
370 WCE 0.9298
371 G3F 0.9298
372 7MU 0.9294
373 4HS 0.9293
374 3XX 0.9293
375 82I 0.9292
376 0HN 0.9292
377 4JL 0.9292
378 NMJ 0.9291
379 SHA 0.9290
380 E7S 0.9290
381 TP5 0.9289
382 PIY 0.9289
383 AZA 0.9288
384 FUL 0.9285
385 P3K 0.9284
386 GCS 0.9284
387 HX3 0.9282
388 1WD 0.9281
389 CHB 0.9281
390 C2B 0.9280
391 SWA 0.9279
392 9DG 0.9278
393 FQI 0.9277
394 ESX 0.9275
395 XYS 0.9274
396 HDH 0.9272
397 KJU 0.9272
398 1MR 0.9270
399 5RG 0.9269
400 OXQ 0.9267
401 7WV 0.9265
402 6GU 0.9264
403 8IG 0.9262
404 GAL 0.9261
405 CFP 0.9260
406 DHR 0.9258
407 R9Y 0.9257
408 KT7 0.9256
409 GBD 0.9255
410 XAN 0.9255
411 0HO 0.9255
412 TYL 0.9255
413 9R5 0.9255
414 5RN 0.9251
415 IPB 0.9250
416 M58 0.9249
417 069 0.9247
418 NSP 0.9247
419 2FY 0.9246
420 TZC 0.9246
421 4JN 0.9245
422 RIP 0.9244
423 UGC 0.9242
424 JZ7 0.9242
425 WOT 0.9240
426 4HM 0.9240
427 TIU 0.9239
428 265 0.9238
429 14J 0.9238
430 MAE 0.9238
431 A2F 0.9237
432 6AP 0.9236
433 G2F 0.9235
434 3BZ 0.9234
435 BRT 0.9233
436 4JO 0.9230
437 94W 0.9230
438 LDP 0.9230
439 SAN 0.9230
440 5NI 0.9229
441 DFB 0.9229
442 C21 0.9228
443 DGJ 0.9228
444 DX4 0.9226
445 IGA 0.9226
446 8S0 0.9226
447 PNZ 0.9224
448 N8Y 0.9222
449 6NT 0.9222
450 2PC 0.9222
451 M2K 0.9221
452 0TR 0.9220
453 JIF 0.9220
454 1F1 0.9216
455 AZ8 0.9215
456 0MK 0.9214
457 PCA 0.9214
458 2HU 0.9212
459 4AA 0.9211
460 4JM 0.9211
461 VNJ 0.9210
462 3SK 0.9210
463 FDB 0.9208
464 JZ5 0.9204
465 FUC 0.9204
466 BEA 0.9203
467 GDE 0.9203
468 BCU 0.9202
469 FCR 0.9201
470 IFL 0.9201
471 ASO 0.9200
472 GAG 0.9200
473 HIO 0.9200
474 TGX 0.9200
475 2EC 0.9200
476 HMU 0.9199
477 SRT 0.9198
478 0CU 0.9197
479 DHK 0.9197
480 5GU 0.9196
481 HY1 0.9195
482 A29 0.9194
483 DYA 0.9194
484 IF7 0.9193
485 CWJ 0.9192
486 L3Q 0.9191
487 141 0.9189
488 7B4 0.9189
489 IHB 0.9189
490 AZG 0.9189
491 ZZT 0.9188
492 IT2 0.9188
493 JAW 0.9187
494 XBT 0.9187
495 6F0 0.9186
496 IUR 0.9185
497 AZ9 0.9185
498 273 0.9185
499 3A9 0.9183
500 XRG 0.9183
501 QOS 0.9183
502 IOL 0.9183
503 LT2 0.9183
504 YH7 0.9182
505 GTQ 0.9182
506 3NY 0.9182
507 Q24 0.9180
508 NDH 0.9180
509 2ZM 0.9179
510 ZBT 0.9179
511 R8S 0.9177
512 HSM 0.9177
513 JBN 0.9176
514 GZL 0.9176
515 GRE 0.9174
516 B53 0.9174
517 1DU 0.9174
518 24B 0.9173
519 ABI 0.9170
520 8OZ 0.9170
521 HHA 0.9169
522 BNF 0.9167
523 IDH 0.9167
524 TLA 0.9166
525 PEL 0.9165
526 EQT 0.9163
527 6NI 0.9163
528 9FL 0.9163
529 MSR 0.9163
530 E7Z 0.9161
531 FEH 0.9161
532 5M0 0.9161
533 1XN 0.9161
534 AEF 0.9160
535 3DM 0.9160
536 3Z8 0.9160
537 Y8I 0.9159
538 QSB 0.9158
539 PKU 0.9158
540 2ZV 0.9156
541 6M1 0.9156
542 6CS 0.9156
543 LDU 0.9156
544 7N0 0.9155
545 M1Q 0.9155
546 EUG 0.9153
547 JFJ 0.9153
548 RMN 0.9152
549 5AC 0.9150
550 ICO 0.9150
551 0FN 0.9149
552 PZM 0.9149
553 TSU 0.9148
554 F81 0.9147
555 54G 0.9147
556 SWD 0.9144
557 AKG 0.9144
558 MUA 0.9142
559 MEW 0.9141
560 4NM 0.9140
561 150 0.9140
562 290 0.9139
563 JAB 0.9139
564 RIB 0.9139
565 1XM 0.9138
566 R8A 0.9138
567 M6W 0.9137
568 1WG 0.9135
569 52C 0.9135
570 F0J 0.9134
571 GIO 0.9132
572 TLD 0.9131
573 ARB 0.9131
574 2FG 0.9130
575 GYE 0.9130
576 M5K 0.9129
577 M6N 0.9129
578 9CL 0.9128
579 7WG 0.9128
580 2LP 0.9126
581 2AL 0.9126
582 R9S 0.9124
583 JDN 0.9123
584 AQO 0.9122
585 LZM 0.9122
586 V55 0.9121
587 8WO 0.9121
588 4HC 0.9120
589 PE0 0.9119
590 3WA 0.9118
591 FB2 0.9118
592 AJ2 0.9116
593 AAS 0.9115
594 GLL 0.9113
595 HY3 0.9113
596 SKM 0.9113
597 CRS 0.9113
598 JBQ 0.9111
599 UY7 0.9111
600 LMR 0.9110
601 BOA 0.9110
602 OTR 0.9110
603 EKZ 0.9110
604 HQJ 0.9110
605 60P 0.9109
606 42A 0.9109
607 2CQ 0.9106
608 KPL 0.9105
609 AGK 0.9104
610 OHG 0.9104
611 9CA 0.9103
612 259 0.9102
613 0W8 0.9102
614 5RO 0.9102
615 DFU 0.9102
616 GJZ 0.9102
617 15N 0.9102
618 268 0.9100
619 2A9 0.9100
620 9TZ 0.9100
621 J9W 0.9099
622 M3H 0.9099
623 GUA 0.9099
624 4ME 0.9098
625 7MH 0.9096
626 23W 0.9096
627 BCP 0.9094
628 2H5 0.9094
629 42J 0.9093
630 SN4 0.9092
631 RHU 0.9091
632 BDP 0.9091
633 ECE 0.9091
634 GIF 0.9090
635 NOY 0.9090
636 1DV 0.9088
637 RCO 0.9087
638 15E 0.9084
639 APZ 0.9083
640 ADK 0.9083
641 IFP 0.9082
642 GLA 0.9082
643 1IT 0.9080
644 HQD 0.9079
645 51R 0.9079
646 ORO 0.9078
647 7CZ 0.9075
648 T6C 0.9075
649 149 0.9074
650 64K 0.9074
651 G4D 0.9073
652 4ZC 0.9072
653 PYJ 0.9071
654 J9N 0.9069
655 3ZQ 0.9069
656 5MK 0.9068
657 BNS 0.9067
658 VNL 0.9066
659 FA1 0.9065
660 GAF 0.9064
661 264 0.9063
662 MAK 0.9061
663 QY9 0.9061
664 DHQ 0.9061
665 6TZ 0.9061
666 L5V 0.9059
667 APY 0.9059
668 4J8 0.9057
669 TFB 0.9057
670 DOR 0.9056
671 MT0 0.9054
672 ASP 0.9052
673 OGA 0.9051
674 286 0.9050
675 42C 0.9050
676 SS2 0.9050
677 B24 0.9050
678 4Z4 0.9049
679 AZF 0.9049
680 3CH 0.9048
681 ESI 0.9047
682 OTW 0.9046
683 B62 0.9046
684 URA 0.9046
685 LG3 0.9045
686 GCU 0.9045
687 AMH 0.9044
688 CEE 0.9043
689 URP 0.9043
690 G6D 0.9042
691 258 0.9040
692 QMP 0.9040
693 FBS 0.9040
694 XHP 0.9038
695 BP9 0.9038
696 OXC 0.9038
697 CYT 0.9037
698 LCN 0.9035
699 TSS 0.9035
700 GIV 0.9035
701 S76 0.9034
702 JFD 0.9033
703 32X 0.9033
704 HZQ 0.9033
705 FGZ 0.9033
706 1P3 0.9032
707 PRA 0.9032
708 7NI 0.9031
709 FCA 0.9030
710 J9T 0.9030
711 QWW 0.9029
712 E1T 0.9026
713 PHE 0.9026
714 XQG 0.9025
715 3FH 0.9025
716 DQU 0.9023
717 IFM 0.9023
718 25W 0.9020
719 Q6T 0.9018
720 PMB 0.9018
721 SMV 0.9017
722 0N7 0.9017
723 HC4 0.9016
724 X0V 0.9014
725 0FO 0.9014
726 F31 0.9014
727 45L 0.9013
728 TAR 0.9013
729 SX1 0.9012
730 PYG 0.9012
731 KIV 0.9011
732 G5V 0.9010
733 RB5 0.9006
734 285 0.9004
735 AX3 0.9004
736 MWP 0.9003
737 CAQ 0.9003
738 SNU 0.9002
739 X6X 0.9002
740 2A7 0.9001
741 428 0.8999
742 D1X 0.8999
743 L99 0.8998
744 M1E 0.8997
745 SJ5 0.8997
746 495 0.8996
747 5LA 0.8996
748 DHS 0.8996
749 FBW 0.8996
750 C2A 0.8995
751 UNJ 0.8994
752 KJY 0.8994
753 4MU 0.8994
754 44W 0.8993
755 R2B 0.8993
756 3MC 0.8993
757 1SA 0.8993
758 TEP 0.8992
759 92P 0.8992
760 4XV 0.8991
761 HPS 0.8991
762 TZF 0.8991
763 CPZ 0.8991
764 MZW 0.8989
765 9MG 0.8989
766 MNM 0.8987
767 284 0.8987
768 AJV 0.8986
769 AMS 0.8986
770 34D 0.8985
771 ODO 0.8985
772 4BL 0.8984
773 FUD 0.8982
774 4FH 0.8981
775 FBJ 0.8981
776 AFR 0.8980
777 H3M 0.8980
778 DTL 0.8980
779 HSO 0.8978
780 GXL 0.8978
781 GVG 0.8978
782 AW5 0.8975
783 HYP 0.8975
784 PAF 0.8974
785 9X7 0.8974
786 26D 0.8974
787 NYL 0.8973
788 HGQ 0.8973
789 QX2 0.8972
790 2AK 0.8972
791 URQ 0.8972
792 UNC 0.8971
793 1DQ 0.8970
794 LG5 0.8969
795 ZXD 0.8969
796 69O 0.8968
797 ABE 0.8968
798 BVF 0.8968
799 MVN 0.8967
800 PYQ 0.8966
801 GTR 0.8966
802 EV0 0.8965
803 FBV 0.8965
804 TTY 0.8965
805 PRS 0.8964
806 0BP 0.8964
807 MAN 0.8961
808 BNL 0.8961
809 2HC 0.8959
810 3MB 0.8958
811 OVM 0.8958
812 4M4 0.8958
813 C1M 0.8957
814 OXZ 0.8957
815 SLS 0.8957
816 OXE 0.8956
817 3ZB 0.8955
818 MO8 0.8954
819 3IT 0.8952
820 C2Y 0.8951
821 45C 0.8949
822 4BY 0.8948
823 3FA 0.8948
824 FB1 0.8947
825 3Z7 0.8947
826 QBK 0.8946
827 MBD 0.8945
828 9ZE 0.8944
829 NCT 0.8943
830 HPY 0.8942
831 URS 0.8941
832 K97 0.8941
833 LYL 0.8940
834 KYD 0.8940
835 MBG 0.8940
836 F4Z 0.8939
837 LNR 0.8938
838 RM4 0.8938
839 1AB 0.8937
840 4NB 0.8936
841 IWT 0.8936
842 3DO 0.8935
843 TBP 0.8935
844 F5B 0.8933
845 FOT 0.8932
846 CTS 0.8932
847 3SL 0.8932
848 AKH 0.8931
849 HA5 0.8931
850 KTW 0.8929
851 6LW 0.8928
852 XYL 0.8928
853 DUC 0.8928
854 EDG 0.8926
855 F4E 0.8926
856 4TU 0.8924
857 1GN 0.8923
858 M0Q 0.8922
859 4XS 0.8920
860 ASN 0.8920
861 YHO 0.8920
862 LGC 0.8919
863 RBL 0.8917
864 2C9 0.8916
865 EVA 0.8916
866 IP0 0.8912
867 L89 0.8912
868 44V 0.8910
869 8W9 0.8910
870 DBX 0.8909
871 8GF 0.8909
872 9YL 0.8908
873 0F9 0.8907
874 12T 0.8906
875 3RK 0.8906
876 SOR 0.8903
877 FFP 0.8902
878 MLA 0.8902
879 JZ1 0.8901
880 HSE 0.8901
881 PRY 0.8900
882 K5W 0.8900
883 BEW 0.8899
884 FLM 0.8898
885 DRL 0.8898
886 TC7 0.8898
887 NQ 0.8897
888 TEO 0.8897
889 DMG 0.8896
890 XXR 0.8895
891 HX2 0.8895
892 AL0 0.8894
893 FUF 0.8893
894 PFB 0.8893
895 9FE 0.8892
896 40O 0.8892
897 37T 0.8891
898 ASC 0.8890
899 6MH 0.8890
900 HEW 0.8889
901 ICC 0.8889
902 XCZ 0.8888
903 2XX 0.8887
904 MRZ 0.8887
905 PPY 0.8887
906 DMJ 0.8886
907 GOO 0.8886
908 N2Z 0.8885
909 39A 0.8883
910 HJP 0.8883
911 SIN 0.8883
912 4SX 0.8883
913 LQ2 0.8882
914 SHG 0.8882
915 4RU 0.8881
916 PA1 0.8880
917 280 0.8880
918 Z6J 0.8879
919 PH2 0.8879
920 APG 0.8879
921 CXL 0.8878
922 0W1 0.8877
923 ADA 0.8877
924 15L 0.8876
925 9RW 0.8876
926 ARA 0.8874
927 YIO 0.8874
928 CN0 0.8873
929 B3R 0.8873
930 A13 0.8871
931 HLZ 0.8871
932 6ME 0.8871
933 TM4 0.8871
934 LKA 0.8871
935 MPV 0.8870
936 XUL 0.8870
937 CYH 0.8870
938 GMN 0.8869
939 8LG 0.8869
940 IPH 0.8869
941 4XX 0.8868
942 GJP 0.8867
943 HAI 0.8867
944 BDF 0.8865
945 OKG 0.8865
946 A5E 0.8865
947 RNS 0.8865
948 VK3 0.8864
949 NK2 0.8864
950 V1L 0.8864
951 FUM 0.8863
952 RAM 0.8863
953 M3T 0.8861
954 MFB 0.8860
955 JG8 0.8859
956 LSA 0.8859
957 VAL 0.8859
958 2FQ 0.8858
959 R20 0.8858
960 C2U 0.8856
961 3CE 0.8854
962 RXA 0.8853
963 Q02 0.8853
964 209 0.8852
965 H33 0.8852
966 7VS 0.8851
967 GXE 0.8851
968 T9G 0.8851
969 MZ0 0.8851
970 3MA 0.8850
971 SXS 0.8850
972 92Z 0.8850
973 2IM 0.8849
974 FA3 0.8849
975 1HN 0.8848
976 DIU 0.8848
977 FCB 0.8848
978 36Y 0.8848
979 449 0.8847
980 BMA 0.8847
981 1AN 0.8846
982 23J 0.8845
983 4H2 0.8843
984 KTA 0.8842
985 DEE 0.8840
986 IJZ 0.8839
987 2MY 0.8839
988 FDK 0.8839
989 N3W 0.8839
990 CIG 0.8838
991 MLI 0.8838
992 TMZ 0.8837
993 76X 0.8836
994 SMN 0.8835
995 RUU 0.8835
996 GLU 0.8833
997 PO6 0.8830
998 YTB 0.8830
999 T2C 0.8830
1000 2CH 0.8828
1001 XLS 0.8824
1002 P2D 0.8824
1003 CLZ 0.8823
1004 GLF 0.8822
1005 DIE 0.8821
1006 PRZ 0.8820
1007 NVI 0.8819
1008 39O 0.8818
1009 DS0 0.8818
1010 OMD 0.8818
1011 8XL 0.8818
1012 93Q 0.8817
1013 DUB 0.8817
1014 M4S 0.8816
1015 IAC 0.8816
1016 INE 0.8815
1017 FLA 0.8814
1018 GXY 0.8813
1019 FP2 0.8813
1020 2CM 0.8812
1021 MXN 0.8811
1022 EYK 0.8811
1023 GGL 0.8810
1024 MBN 0.8810
1025 938 0.8810
1026 SPA 0.8809
1027 JZ4 0.8807
1028 3V4 0.8805
1029 7VP 0.8805
1030 1LN 0.8804
1031 HHI 0.8804
1032 MNN 0.8803
1033 VOH 0.8803
1034 M45 0.8803
1035 PQ0 0.8802
1036 QIC 0.8801
1037 S2G 0.8800
1038 6KT 0.8799
1039 TCA 0.8799
1040 2AF 0.8798
1041 B60 0.8797
1042 9TY 0.8794
1043 FH2 0.8793
1044 PRF 0.8791
1045 TZE 0.8790
1046 HX4 0.8790
1047 B85 0.8790
1048 HHQ 0.8790
1049 2AP 0.8790
1050 5WX 0.8790
1051 EXO 0.8790
1052 271 0.8788
1053 4AP 0.8786
1054 M4E 0.8786
1055 QSH 0.8786
1056 CIZ 0.8786
1057 47J 0.8785
1058 TOF 0.8785
1059 1DJ 0.8785
1060 9KT 0.8785
1061 1L5 0.8783
1062 JB8 0.8782
1063 OW4 0.8782
1064 3AP 0.8782
1065 QPR 0.8782
1066 OHP 0.8782
1067 QX4 0.8780
1068 H76 0.8779
1069 WOO 0.8777
1070 JTH 0.8776
1071 95Z 0.8776
1072 KBG 0.8775
1073 27B 0.8775
1074 XXP 0.8775
1075 AN3 0.8773
1076 ALL 0.8772
1077 YPN 0.8772
1078 1A7 0.8772
1079 I3E 0.8772
1080 2FT 0.8771
1081 Z5P 0.8771
1082 TMT 0.8771
1083 M2H 0.8768
1084 COI 0.8768
1085 9PO 0.8768
1086 K32 0.8767
1087 DNF 0.8766
1088 EVF 0.8765
1089 HRZ 0.8765
1090 FBT 0.8764
1091 6VD 0.8763
1092 HTS 0.8762
1093 HVQ 0.8762
1094 A2Q 0.8761
1095 SR1 0.8760
1096 EN1 0.8760
1097 TT4 0.8760
1098 C5J 0.8760
1099 40E 0.8759
1100 PEP 0.8759
1101 3R6 0.8758
1102 8HC 0.8758
1103 25T 0.8758
1104 INS 0.8758
1105 8CL 0.8757
1106 MAQ 0.8757
1107 NID 0.8756
1108 HVK 0.8756
1109 I4B 0.8756
1110 CH9 0.8756
1111 NDM 0.8755
1112 UEG 0.8755
1113 ITN 0.8755
1114 13P 0.8755
1115 8NX 0.8753
1116 2BX 0.8753
1117 PXM 0.8752
1118 DBJ 0.8751
1119 1KP 0.8750
1120 ZYR 0.8750
1121 7ZE 0.8749
1122 FRU 0.8749
1123 OVP 0.8748
1124 KTJ 0.8748
1125 SNO 0.8747
1126 UFV 0.8746
1127 1DH 0.8746
1128 A7H 0.8745
1129 HDA 0.8745
1130 PBE 0.8745
1131 5WY 0.8744
1132 M0W 0.8744
1133 GWM 0.8743
1134 RNO 0.8742
1135 2F6 0.8742
1136 SEP 0.8741
1137 BVC 0.8740
1138 RAT 0.8739
1139 3MH 0.8737
1140 680 0.8736
1141 GCB 0.8735
1142 THR 0.8734
1143 2RH 0.8732
1144 1XX 0.8731
1145 KBB 0.8731
1146 CEJ 0.8731
1147 MAJ 0.8731
1148 X05 0.8730
1149 AHB 0.8729
1150 EXD 0.8727
1151 XIZ 0.8727
1152 PJW 0.8726
1153 FK8 0.8725
1154 0FK 0.8722
1155 S7J 0.8722
1156 UAN 0.8721
1157 ONR 0.8721
1158 SRO 0.8719
1159 6UA 0.8719
1160 LGA 0.8717
1161 SPV 0.8717
1162 CRN 0.8717
1163 7VJ 0.8717
1164 ZZ3 0.8716
1165 K22 0.8716
1166 VXX 0.8715
1167 GOJ 0.8715
1168 PEY 0.8711
1169 98J 0.8711
1170 KMT 0.8710
1171 2KT 0.8707
1172 TTO 0.8705
1173 2DR 0.8705
1174 HXX 0.8703
1175 CFF 0.8702
1176 L14 0.8702
1177 G3P 0.8702
1178 G3H 0.8702
1179 MEV 0.8701
1180 GLN 0.8700
1181 AX2 0.8700
1182 UFO 0.8699
1183 JZ0 0.8698
1184 HHN 0.8698
1185 DAS 0.8692
1186 6X8 0.8692
1187 IMR 0.8691
1188 3AY 0.8691
1189 3AL 0.8690
1190 HFB 0.8689
1191 3PY 0.8689
1192 YAN 0.8686
1193 24T 0.8686
1194 K17 0.8685
1195 12B 0.8683
1196 PDC 0.8682
1197 FHC 0.8682
1198 LRH 0.8681
1199 SF9 0.8680
1200 EMZ 0.8680
1201 FDR 0.8680
1202 4LW 0.8680
1203 KYA 0.8680
1204 RPQ 0.8678
1205 GO2 0.8677
1206 X0U 0.8676
1207 ICF 0.8676
1208 TBS 0.8674
1209 R1X 0.8674
1210 BCF 0.8669
1211 DQA 0.8668
1212 4JC 0.8665
1213 6HQ 0.8664
1214 PD2 0.8661
1215 MET 0.8660
1216 SME 0.8660
1217 PIH 0.8656
1218 HCS 0.8656
1219 M1H 0.8656
1220 GJS 0.8655
1221 FBU 0.8652
1222 2PG 0.8652
1223 WDL 0.8650
1224 94N 0.8650
1225 13X 0.8649
1226 AEH 0.8649
1227 HGW 0.8649
1228 SNE 0.8648
1229 LI6 0.8646
1230 MRY 0.8646
1231 HYN 0.8645
1232 4P0 0.8644
1233 LEU 0.8643
1234 NXA 0.8642
1235 2TQ 0.8642
1236 93B 0.8640
1237 BVG 0.8640
1238 1XA 0.8640
1239 35C 0.8639
1240 0OC 0.8639
1241 ARW 0.8639
1242 XIX 0.8638
1243 LER 0.8634
1244 2AS 0.8633
1245 JUG 0.8631
1246 L60 0.8630
1247 JXN 0.8630
1248 HHR 0.8629
1249 BBF 0.8627
1250 4VY 0.8626
1251 4V2 0.8625
1252 2ZX 0.8620
1253 7ME 0.8620
1254 K7M 0.8619
1255 7D2 0.8617
1256 BR8 0.8616
1257 GNM 0.8616
1258 FPK 0.8616
1259 AAE 0.8615
1260 A09 0.8615
1261 5AN 0.8614
1262 SEJ 0.8608
1263 ORN 0.8607
1264 3BU 0.8603
1265 E60 0.8603
1266 329 0.8600
1267 OA3 0.8600
1268 2HG 0.8600
1269 GLT 0.8599
1270 F3B 0.8597
1271 K8X 0.8597
1272 HHH 0.8593
1273 51F 0.8591
1274 HCI 0.8590
1275 1Z6 0.8590
1276 3QV 0.8590
1277 5ZE 0.8588
1278 68A 0.8584
1279 E3D 0.8580
1280 AEG 0.8578
1281 F12 0.8578
1282 CGB 0.8576
1283 7WR 0.8574
1284 DQN 0.8572
1285 IBF 0.8571
1286 NTM 0.8571
1287 SD4 0.8570
1288 X09 0.8564
1289 TAG 0.8564
1290 G1O 0.8563
1291 YSO 0.8559
1292 3R4 0.8558
1293 FBF 0.8558
1294 8K2 0.8556
1295 BZJ 0.8556
1296 NLE 0.8555
1297 PHT 0.8555
1298 7B3 0.8555
1299 3QM 0.8550
1300 KG7 0.8541
1301 SYG 0.8537
1302 463 0.8535
1303 GLO 0.8534
1304 AY4 0.8533
1305 BPY 0.8530
1306 5TY 0.8522
1307 1CO 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TTZ; Ligand: 07N; 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: 3ttz.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3TTZ; Ligand: 07N; 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: 3ttz.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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