Receptor
PDB id Resolution Class Description Source Keywords
3ZVV 2.5 Å EC: 2.7.1.153 FRAGMENT BOUND TO PI3KINASE GAMMA HOMO SAPIENS TRANSFERASE PI3 KINASE GAMMA
Ref.: FRAGMENT BASED DISCOVERY OF A NOVEL AND SELECTIVE P INHIBITOR. BIOORG. MED. CHEM. LETT. V. 21 6586 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XAZ A:1500;
Valid;
none;
ic50 = 915 uM
162.192 C8 H10 N4 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6C1S 2.31 Å EC: 2.7.1.153 PHOSPHOINOSITIDE 3-KINASE GAMMA BOUND TO AN PYRROLOPYRIDINON INHIBITOR HOMO SAPIENS KINASE INHIBITOR TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: DESIGN AND SYNTHESIS OF A NOVEL SERIES OF ORALLY BIOAVAILABLE, CNS-PENETRANT, ISOFORM SELECTIVE PHOSPHOINOSITIDE 3-KINASE GAMMA (PI3K GAMMA ) INHIB WITH POTENTIAL FOR THE TREATMENT OF MULTIPLE SCLERO J. MED. CHEM. V. 61 5245 2018
Members (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4FUL - 0VU C22 H23 N5 O3 S c1cc(cc(c1....
2 4ANW ic50 = 18 nM O92 C18 H14 Cl F2 N5 O3 S CNC(=O)c1c....
3 4WWP ic50 = 0.12 uM 3VE C22 H18 Cl N7 Cc1c(cccn1....
4 6AUD - BWY C25 H34 N6 O2 S CC(C)n1c(n....
5 4ANV ic50 = 441 nM 751 C28 H28 N4 O4 S COc1ccc(cc....
6 5JHB Kd = 873 nM 6K5 C18 H21 Cl F3 N7 O2 c1c(c(cnc1....
7 5G55 - 3QH C20 H18 N4 O Cc1ccc(cc1....
8 1E7V - LY2 C19 H17 N O3 c1ccc(cc1)....
9 2CHX - 090 C18 H16 N5 O3 COc1ccc2c(....
10 4WWO ic50 = 0.038 uM 3VD C22 H16 Cl F N6 C[C@@H](c1....
11 1E8Z - STU C28 H26 N4 O3 C[C@@]12[C....
12 3R7Q ic50 = 0.108 uM FAV C19 H14 Cl N O2 S CN(c1ccccc....
13 4GB9 - 0WR C28 H39 N9 O2 CC(C)(C1CC....
14 3ENE Ki = 0.57 uM NPZ C16 H13 N5 Cn1c2c(c(n....
15 3LJ3 ic50 = 43 nM WYE C22 H22 N4 O4 Cn1cc(c2c1....
16 2V4L ic50 = 1.5 uM ABJ C14 H15 N5 O CC(C)n1c2c....
17 6C1S Ki = 0.004 uM EFV C19 H16 N6 O3 COc1cc(cnc....
18 4HVB - 19P C24 H26 N6 O3 Cc1ccc(cn1....
19 1E8W - QUE C15 H10 O7 c1cc(c(cc1....
20 1E8X - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
21 3ZVV ic50 = 915 uM XAZ C8 H10 N4 Cc1cc(n2c(....
70% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4FUL - 0VU C22 H23 N5 O3 S c1cc(cc(c1....
2 4ANW ic50 = 18 nM O92 C18 H14 Cl F2 N5 O3 S CNC(=O)c1c....
3 4WWP ic50 = 0.12 uM 3VE C22 H18 Cl N7 Cc1c(cccn1....
4 6AUD - BWY C25 H34 N6 O2 S CC(C)n1c(n....
5 4ANV ic50 = 441 nM 751 C28 H28 N4 O4 S COc1ccc(cc....
6 5JHB Kd = 873 nM 6K5 C18 H21 Cl F3 N7 O2 c1c(c(cnc1....
7 5G55 - 3QH C20 H18 N4 O Cc1ccc(cc1....
8 1E7V - LY2 C19 H17 N O3 c1ccc(cc1)....
9 2CHX - 090 C18 H16 N5 O3 COc1ccc2c(....
10 4WWO ic50 = 0.038 uM 3VD C22 H16 Cl F N6 C[C@@H](c1....
11 1E8Z - STU C28 H26 N4 O3 C[C@@]12[C....
12 3R7Q ic50 = 0.108 uM FAV C19 H14 Cl N O2 S CN(c1ccccc....
13 4GB9 - 0WR C28 H39 N9 O2 CC(C)(C1CC....
14 3ENE Ki = 0.57 uM NPZ C16 H13 N5 Cn1c2c(c(n....
15 3LJ3 ic50 = 43 nM WYE C22 H22 N4 O4 Cn1cc(c2c1....
16 2V4L ic50 = 1.5 uM ABJ C14 H15 N5 O CC(C)n1c2c....
17 6C1S Ki = 0.004 uM EFV C19 H16 N6 O3 COc1cc(cnc....
18 4HVB - 19P C24 H26 N6 O3 Cc1ccc(cn1....
19 1E8W - QUE C15 H10 O7 c1cc(c(cc1....
20 1E8X - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
21 3ZVV ic50 = 915 uM XAZ C8 H10 N4 Cc1cc(n2c(....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2WXP ic50 = 3 nM GD9 C23 H27 N7 O3 S2 CS(=O)(=O)....
2 2WXL ic50 = 4.6 nM ZS4 C19 H21 F2 N7 O2 c1ccc2c(c1....
3 6TNR ic50 = 0.00000001 M NQ2 C25 H35 N3 O6 S CC(C)(C1CC....
4 2WXO ic50 = 90 nM ZZP C22 H19 F N4 O4 S COC1=CC(=C....
5 6Q74 - HKN C22 H24 N4 O4 S Cc1nc(cn1C....
6 5T2B ic50 = 5 nM 74O C19 H18 N8 Cn1c(nc(n1....
7 2WXF ic50 = 180 nM 039 C21 H15 Cl N6 O2 S COc1ccccc1....
8 6ZAC - QDE C18 H24 N4 O4 S CN(C)Cc1cc....
9 6FTN ic50 = 200 nM E78 C20 H23 N3 O2 S Cc1cc(cc2c....
10 6TNS ic50 = 0.00000001 M NQ5 C25 H33 N3 O8 S COCCS(=O)(....
11 5NCZ ic50 = 0.79 nM 8TN C24 H25 N7 O S CC1=CSC2=C....
12 4XE0 ic50 = 19 nM 40L C22 H18 F N7 O CC[C@@H](C....
13 2X38 ic50 = 130 nM IC8 C22 H19 N7 O Cc1ccccc1N....
14 5AE9 Ki = 0.0794 nM OKO C24 H28 N6 O5 S C[C@@H]1CN....
15 5AE8 Ki = 0.126 nM VVX C26 H28 N6 O CC(C)N1CCN....
16 6Q73 - HKK C11 H13 Cl N2 O3 S CS(=O)(=O)....
17 5T2I ic50 = 2 nM 74J C20 H19 N9 O Cn1c(nc(n1....
18 2WXG ic50 = 0.7 nM ZZN C28 H22 F N7 O2 Cc1ccccc1N....
19 5NCY ic50 = 0.4 nM 8TK C21 H18 N6 O S CC1=CSC2=C....
20 6Q6Y - HKQ C17 H13 Cl N2 O2 S c1ccc(cc1)....
21 6ZAD - QDW C18 H22 N4 O4 S CN1CCS(=O)....
22 4FUL - 0VU C22 H23 N5 O3 S c1cc(cc(c1....
23 4ANW ic50 = 18 nM O92 C18 H14 Cl F2 N5 O3 S CNC(=O)c1c....
24 4WWP ic50 = 0.12 uM 3VE C22 H18 Cl N7 Cc1c(cccn1....
25 6AUD - BWY C25 H34 N6 O2 S CC(C)n1c(n....
26 4ANV ic50 = 441 nM 751 C28 H28 N4 O4 S COc1ccc(cc....
27 5JHB Kd = 873 nM 6K5 C18 H21 Cl F3 N7 O2 c1c(c(cnc1....
28 5G55 - 3QH C20 H18 N4 O Cc1ccc(cc1....
29 1E7V - LY2 C19 H17 N O3 c1ccc(cc1)....
30 2CHX - 090 C18 H16 N5 O3 COc1ccc2c(....
31 4WWO ic50 = 0.038 uM 3VD C22 H16 Cl F N6 C[C@@H](c1....
32 1E8Z - STU C28 H26 N4 O3 C[C@@]12[C....
33 3R7Q ic50 = 0.108 uM FAV C19 H14 Cl N O2 S CN(c1ccccc....
34 4GB9 - 0WR C28 H39 N9 O2 CC(C)(C1CC....
35 3ENE Ki = 0.57 uM NPZ C16 H13 N5 Cn1c2c(c(n....
36 3LJ3 ic50 = 43 nM WYE C22 H22 N4 O4 Cn1cc(c2c1....
37 2V4L ic50 = 1.5 uM ABJ C14 H15 N5 O CC(C)n1c2c....
38 6C1S Ki = 0.004 uM EFV C19 H16 N6 O3 COc1cc(cnc....
39 4HVB - 19P C24 H26 N6 O3 Cc1ccc(cn1....
40 1E8W - QUE C15 H10 O7 c1cc(c(cc1....
41 1E8X - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
42 3ZVV ic50 = 915 uM XAZ C8 H10 N4 Cc1cc(n2c(....
43 6EZ6 - C5Z C26 H30 N6 O4 CC(C)N1CCN....
44 6PYS - P5J C27 H22 N6 O Cc1ncc(cn1....
45 5UBR - 85S C26 H30 N8 O2 CC(=O)N1CC....
46 5DXT Ki = 0.2 nM 5H5 C19 H22 N6 O3 C[C@@H](C(....
47 6GVF Ki = 28 nM FE5 C15 H15 N7 O CC(C)n1c2c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XAZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 XAZ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: XAZ; Similar ligands found: 1188
No: Ligand Similarity coefficient
1 75K 1.0000
2 URC 1.0000
3 B55 0.9986
4 BTY 0.9983
5 5JQ 0.9973
6 8TX 0.9958
7 5JL 0.9956
8 8IG 0.9867
9 OTW 0.9801
10 QBK 0.9790
11 AJ2 0.9785
12 XHP 0.9784
13 BGC 0.9777
14 M5K 0.9772
15 DQU 0.9770
16 M6N 0.9769
17 MEW 0.9763
18 MUA 0.9753
19 AQO 0.9746
20 Q24 0.9742
21 AZ8 0.9733
22 2D0 0.9733
23 PE0 0.9731
24 VGD 0.9728
25 1P8 0.9727
26 36R 0.9722
27 44W 0.9720
28 2AK 0.9717
29 ES2 0.9716
30 0FO 0.9710
31 GUN 0.9710
32 9DG 0.9709
33 CLW 0.9707
34 MVN 0.9707
35 YH7 0.9706
36 5VM 0.9699
37 4HC 0.9696
38 ET2 0.9694
39 AZA 0.9685
40 B62 0.9684
41 K2T 0.9680
42 Q88 0.9680
43 1XM 0.9679
44 CWM 0.9679
45 6ME 0.9678
46 FBB 0.9671
47 KT7 0.9671
48 XAN 0.9670
49 ES0 0.9663
50 141 0.9651
51 CWJ 0.9650
52 JA8 0.9648
53 IGA 0.9647
54 DX4 0.9644
55 BOA 0.9631
56 44V 0.9630
57 A2F 0.9624
58 AZG 0.9611
59 290 0.9598
60 XQ0 0.9597
61 6GU 0.9595
62 BCP 0.9591
63 94W 0.9579
64 GLC 0.9579
65 6AP 0.9577
66 4ME 0.9577
67 0CU 0.9565
68 CFP 0.9565
69 CWS 0.9547
70 0P6 0.9543
71 4MU 0.9542
72 2AL 0.9536
73 9R5 0.9531
74 G3F 0.9531
75 86J 0.9529
76 2HQ 0.9525
77 HH5 0.9523
78 GCS 0.9521
79 BHA 0.9520
80 FA0 0.9520
81 NOJ 0.9520
82 DOB 0.9516
83 EV0 0.9516
84 4M0 0.9515
85 DRL 0.9515
86 IV2 0.9513
87 HMH 0.9513
88 VK3 0.9511
89 0N7 0.9506
90 VNL 0.9505
91 6VD 0.9504
92 AZ9 0.9502
93 5NU 0.9500
94 PQ0 0.9500
95 NQ 0.9498
96 HQD 0.9493
97 2AQ 0.9492
98 KIB 0.9492
99 KIA 0.9492
100 4FS 0.9490
101 RXA 0.9488
102 A7W 0.9488
103 PH2 0.9486
104 7MU 0.9485
105 2FQ 0.9484
106 5CU 0.9484
107 4TU 0.9482
108 HJP 0.9481
109 AX3 0.9481
110 AS3 0.9480
111 MS9 0.9480
112 KUF 0.9479
113 03V 0.9478
114 COU 0.9477
115 H42 0.9477
116 APZ 0.9476
117 S76 0.9475
118 FYU 0.9474
119 2EC 0.9474
120 ES5 0.9473
121 BZ3 0.9470
122 OCH 0.9470
123 6RQ 0.9468
124 MQN 0.9468
125 TWO 0.9466
126 4JQ 0.9465
127 J9Q 0.9464
128 8WO 0.9463
129 8CM 0.9462
130 DIN 0.9462
131 ORO 0.9462
132 F9Y 0.9457
133 2K4 0.9456
134 5OB 0.9456
135 24W 0.9456
136 F60 0.9449
137 5MI 0.9445
138 JND 0.9444
139 8WT 0.9442
140 14O 0.9441
141 92K 0.9440
142 7HQ 0.9439
143 EA1 0.9439
144 5H1 0.9439
145 ODO 0.9439
146 CLZ 0.9438
147 3F0 0.9438
148 ES1 0.9437
149 8S0 0.9437
150 9MG 0.9434
151 11S 0.9433
152 1LM 0.9432
153 2A9 0.9430
154 MO8 0.9430
155 5XC 0.9429
156 5MB 0.9428
157 5Q0 0.9428
158 MRW 0.9427
159 ES9 0.9425
160 1SQ 0.9425
161 1NP 0.9425
162 5SG 0.9424
163 5IQ 0.9423
164 209 0.9422
165 JBH 0.9421
166 BEA 0.9420
167 I3A 0.9419
168 4YO 0.9419
169 ZZT 0.9419
170 H33 0.9418
171 FOT 0.9417
172 FK1 0.9416
173 H4N 0.9412
174 UNC 0.9412
175 OXC 0.9411
176 C2U 0.9407
177 6AI 0.9406
178 4YS 0.9405
179 0W8 0.9404
180 3DM 0.9403
181 7B4 0.9402
182 HQY 0.9401
183 QPR 0.9401
184 FDB 0.9399
185 0TU 0.9398
186 D07 0.9398
187 2F6 0.9396
188 8NY 0.9395
189 3Z8 0.9394
190 NID 0.9392
191 N5J 0.9392
192 1LQ 0.9392
193 3M0 0.9388
194 BZX 0.9388
195 3HA 0.9388
196 B57 0.9387
197 4HM 0.9386
198 FDR 0.9384
199 7NI 0.9383
200 5WY 0.9383
201 8H8 0.9381
202 KDV 0.9381
203 B53 0.9379
204 INE 0.9375
205 DBH 0.9374
206 RM1 0.9374
207 JPZ 0.9373
208 3ID 0.9371
209 NDM 0.9368
210 FE DB1 0.9367
211 MAQ 0.9366
212 V55 0.9363
213 B60 0.9362
214 OVM 0.9362
215 4XH 0.9359
216 R8V 0.9359
217 BDP 0.9357
218 Z5P 0.9356
219 AX7 0.9355
220 4CS 0.9350
221 HHR 0.9349
222 3MB 0.9347
223 HMU 0.9347
224 270 0.9344
225 IJZ 0.9344
226 7VS 0.9343
227 4M4 0.9343
228 J6W 0.9342
229 8NX 0.9339
230 R9Y 0.9333
231 Q6T 0.9332
232 K3Q 0.9332
233 ADZ 0.9331
234 3PF 0.9331
235 HH8 0.9331
236 7W4 0.9330
237 261 0.9330
238 PRZ 0.9329
239 20J 0.9328
240 G3E 0.9327
241 7W1 0.9325
242 DMD 0.9324
243 A29 0.9322
244 DOR 0.9322
245 ISN 0.9321
246 QX2 0.9320
247 5QY 0.9320
248 2LY 0.9318
249 Q71 0.9318
250 4AA 0.9317
251 LZM 0.9316
252 DIU 0.9314
253 GDE 0.9314
254 JTH 0.9314
255 DHK 0.9313
256 5WV 0.9312
257 KJU 0.9310
258 5RO 0.9309
259 HPA 0.9309
260 HLZ 0.9308
261 QWW 0.9308
262 SHA 0.9307
263 SYV 0.9306
264 2MI 0.9303
265 N8Y 0.9303
266 42C 0.9302
267 KYA 0.9301
268 42A 0.9297
269 2ZQ 0.9296
270 ABV 0.9294
271 67N 0.9294
272 C2Y 0.9293
273 3HB 0.9293
274 52C 0.9293
275 AKH 0.9289
276 1XN 0.9289
277 PXL 0.9289
278 3NT 0.9288
279 5RN 0.9288
280 GXY 0.9288
281 10L 0.9287
282 PYQ 0.9286
283 FP1 0.9286
284 AHR 0.9286
285 GAL 0.9286
286 TTL 0.9284
287 AW5 0.9284
288 5QX 0.9282
289 7ZE 0.9281
290 N2I 0.9281
291 TEP 0.9281
292 D1X 0.9280
293 ADE 0.9279
294 J5I 0.9278
295 P92 0.9277
296 MT0 0.9276
297 2A7 0.9275
298 UFO 0.9275
299 SE2 0.9272
300 D48 0.9271
301 82I 0.9271
302 TGX 0.9270
303 1P7 0.9269
304 9KT 0.9268
305 BP1 0.9268
306 92P 0.9266
307 F0J 0.9266
308 KKN 0.9265
309 OW4 0.9265
310 12Q 0.9265
311 K22 0.9262
312 F81 0.9261
313 23A 0.9260
314 4JT 0.9260
315 PDC 0.9260
316 0HO 0.9258
317 SWA 0.9258
318 JB5 0.9257
319 TT4 0.9257
320 ICO 0.9256
321 WCE 0.9256
322 6MP 0.9256
323 7WA 0.9255
324 3IT 0.9254
325 8GC 0.9253
326 7WR 0.9251
327 2FG 0.9251
328 K32 0.9249
329 UEG 0.9249
330 M2K 0.9248
331 4XV 0.9248
332 495 0.9247
333 M4E 0.9246
334 PRF 0.9246
335 8ZE 0.9246
336 3AB 0.9245
337 5HN 0.9245
338 SVN 0.9244
339 OVV 0.9242
340 680 0.9242
341 XQG 0.9241
342 P3K 0.9241
343 GAB 0.9240
344 UAN 0.9240
345 E7Z 0.9239
346 NMJ 0.9237
347 BTE 0.9236
348 J9W 0.9232
349 069 0.9232
350 KJY 0.9230
351 ES4 0.9230
352 B5D 0.9229
353 GJS 0.9229
354 PXM 0.9229
355 SWD 0.9228
356 HQT 0.9226
357 HIS 0.9226
358 II6 0.9224
359 AJV 0.9222
360 GZL 0.9222
361 PM6 0.9221
362 3MG 0.9221
363 5GU 0.9220
364 2KA 0.9220
365 BRT 0.9220
366 3BZ 0.9218
367 ES7 0.9218
368 7HP 0.9218
369 9DA 0.9218
370 M1Q 0.9217
371 NTZ 0.9216
372 1M2 0.9214
373 9HX 0.9214
374 QWN 0.9213
375 MR1 0.9211
376 6NT 0.9210
377 2ZM 0.9210
378 HHA 0.9210
379 CTS 0.9209
380 FGZ 0.9209
381 ESI 0.9209
382 2H5 0.9209
383 SXS 0.9208
384 6M9 0.9207
385 GM7 0.9207
386 ZZ3 0.9207
387 PEY 0.9205
388 6NI 0.9204
389 7ME 0.9203
390 5RG 0.9202
391 E7S 0.9202
392 M1A 0.9200
393 SKM 0.9200
394 R8S 0.9199
395 XIY 0.9199
396 SYA 0.9199
397 5B1 0.9198
398 DNA 0.9196
399 12B 0.9196
400 5NI 0.9194
401 0HN 0.9194
402 GTQ 0.9193
403 TH7 0.9192
404 LI6 0.9191
405 BE2 0.9191
406 VOH 0.9190
407 HQJ 0.9190
408 QXW 0.9189
409 2HU 0.9188
410 34D 0.9186
411 24B 0.9186
412 F12 0.9185
413 1F1 0.9183
414 GZ8 0.9183
415 PNZ 0.9183
416 9FL 0.9182
417 4FA 0.9182
418 XYP 0.9182
419 6KT 0.9181
420 CTL 0.9181
421 0F9 0.9180
422 SAL 0.9177
423 NAG 0.9176
424 EQT 0.9173
425 4Z4 0.9171
426 12T 0.9169
427 3NY 0.9169
428 QAS 0.9169
429 QX4 0.9169
430 SOE 0.9169
431 VXX 0.9168
432 ABI 0.9166
433 4XR 0.9166
434 2FY 0.9165
435 HZQ 0.9164
436 INO 0.9164
437 A13 0.9163
438 2BG 0.9160
439 JBQ 0.9157
440 JAW 0.9155
441 0RW 0.9154
442 DHB 0.9153
443 53C 0.9153
444 4NC 0.9152
445 93K 0.9152
446 G5V 0.9151
447 IPB 0.9150
448 F05 0.9150
449 LGC 0.9150
450 SKA 0.9149
451 LXC 0.9148
452 JLZ 0.9147
453 8W9 0.9147
454 B2J 0.9147
455 3A9 0.9146
456 XX2 0.9146
457 EMZ 0.9146
458 ANN 0.9145
459 YQA 0.9145
460 1DW 0.9144
461 CH9 0.9143
462 PZI 0.9142
463 3QV 0.9140
464 NSP 0.9140
465 293 0.9138
466 LDR 0.9137
467 9EW 0.9137
468 MYJ 0.9137
469 4BY 0.9137
470 QUZ 0.9137
471 0JD 0.9137
472 54G 0.9136
473 3OC 0.9136
474 GIV 0.9136
475 M1H 0.9132
476 BPU 0.9131
477 SHG 0.9131
478 H5B 0.9130
479 NDH 0.9130
480 4SV 0.9130
481 0W1 0.9130
482 6M4 0.9130
483 LSA 0.9129
484 3WA 0.9127
485 6CS 0.9127
486 5M0 0.9126
487 DBJ 0.9124
488 4A3 0.9124
489 HLD 0.9123
490 EUG 0.9122
491 NNO 0.9121
492 9CA 0.9119
493 QAT 0.9118
494 3HM 0.9117
495 HDH 0.9116
496 0GZ 0.9116
497 XM0 0.9115
498 9TZ 0.9115
499 9AP 0.9114
500 149 0.9114
501 2HO 0.9112
502 SOR 0.9111
503 FHB 0.9109
504 NPY 0.9109
505 P9P 0.9109
506 BK9 0.9108
507 PD2 0.9108
508 7WV 0.9108
509 GCU 0.9108
510 K17 0.9106
511 YRL 0.9103
512 5MK 0.9103
513 FBG 0.9103
514 4XS 0.9102
515 DRG 0.9101
516 PQK 0.9101
517 344 0.9099
518 KOJ 0.9098
519 F31 0.9098
520 TBS 0.9098
521 OVP 0.9098
522 TTY 0.9097
523 GLA 0.9097
524 39U 0.9097
525 PX7 0.9096
526 L5V 0.9095
527 OMD 0.9095
528 BCU 0.9094
529 E1T 0.9094
530 8XQ 0.9093
531 UNJ 0.9092
532 JG8 0.9091
533 5WX 0.9091
534 CFF 0.9091
535 GTR 0.9091
536 ASO 0.9090
537 JU2 0.9088
538 DNC 0.9088
539 X0W 0.9086
540 JKE 0.9086
541 2K8 0.9086
542 GIO 0.9086
543 1IT 0.9085
544 3FH 0.9085
545 ES6 0.9084
546 3Z7 0.9083
547 7VJ 0.9082
548 HHS 0.9081
549 GCB 0.9081
550 BMA 0.9080
551 SX1 0.9076
552 173 0.9075
553 LKA 0.9074
554 MBG 0.9073
555 HKD 0.9072
556 C9E 0.9071
557 8G0 0.9070
558 TOF 0.9069
559 DNF 0.9069
560 JDN 0.9068
561 NIZ 0.9068
562 GJP 0.9067
563 3ZB 0.9066
564 AA 0.9065
565 HNQ 0.9065
566 4BL 0.9064
567 32X 0.9064
568 LT2 0.9063
569 TSS 0.9063
570 DPZ 0.9062
571 M0Q 0.9062
572 BHO 0.9061
573 15E 0.9060
574 TYL 0.9059
575 JFJ 0.9059
576 5UC 0.9056
577 PFB 0.9055
578 1GN 0.9055
579 2LP 0.9053
580 CHB 0.9052
581 I6G 0.9052
582 ONR 0.9051
583 1HN 0.9050
584 TH0 0.9048
585 NGO 0.9047
586 TIU 0.9046
587 NDG 0.9044
588 KJH 0.9043
589 X8D 0.9043
590 EVA 0.9043
591 CFI 0.9041
592 N2Z 0.9039
593 1PT 0.9039
594 3U4 0.9038
595 GRE 0.9038
596 URF 0.9037
597 NPO 0.9037
598 PHB 0.9037
599 4RU 0.9036
600 HX3 0.9036
601 X05 0.9036
602 JAE 0.9035
603 1WD 0.9035
604 37T 0.9033
605 DHQ 0.9033
606 ISZ 0.9032
607 TDR 0.9031
608 DHR 0.9030
609 15N 0.9030
610 ADK 0.9030
611 XXR 0.9030
612 3MA 0.9029
613 HBA 0.9025
614 43M 0.9024
615 1KP 0.9024
616 9TW 0.9024
617 THA 0.9024
618 ICP 0.9023
619 ZYR 0.9023
620 DFB 0.9023
621 PYD 0.9022
622 7B3 0.9021
623 XYD 0.9020
624 1MC 0.9019
625 0FK 0.9018
626 IUR 0.9017
627 G6D 0.9016
628 K37 0.9014
629 XBZ 0.9013
630 RD4 0.9013
631 O2A 0.9012
632 CKA 0.9012
633 AY4 0.9011
634 275 0.9010
635 34A 0.9010
636 1Y6 0.9010
637 2ZV 0.9010
638 6TZ 0.9010
639 A7H 0.9008
640 2MP 0.9008
641 M0W 0.9008
642 MWP 0.9007
643 E5X 0.9006
644 WBU 0.9005
645 45L 0.9005
646 6M1 0.9005
647 1AL 0.9004
648 4JO 0.9003
649 MCT 0.9002
650 5MH 0.9002
651 2CK 0.9002
652 0FN 0.9000
653 IHB 0.9000
654 JZ3 0.8999
655 ANF 0.8998
656 JZ2 0.8997
657 4P5 0.8997
658 2AC 0.8996
659 4BZ 0.8996
660 3AL 0.8995
661 PJW 0.8994
662 6F0 0.8993
663 PAB 0.8993
664 Z82 0.8993
665 717 0.8992
666 OW7 0.8991
667 Q7A 0.8991
668 HBD 0.8990
669 K5W 0.8989
670 FUD 0.8989
671 KTW 0.8988
672 4ZE 0.8987
673 9ZE 0.8987
674 7MX 0.8987
675 JR2 0.8987
676 NCT 0.8985
677 X6X 0.8985
678 GV9 0.8984
679 ST2 0.8983
680 DIE 0.8982
681 MZG 0.8982
682 IFL 0.8981
683 4JJ 0.8980
684 MWM 0.8980
685 15L 0.8979
686 329 0.8979
687 BZ2 0.8979
688 G2F 0.8978
689 GYE 0.8978
690 6BL 0.8976
691 NOY 0.8976
692 BR9 0.8975
693 4NM 0.8974
694 E35 0.8974
695 4HO 0.8974
696 FLV 0.8974
697 PHT 0.8974
698 JIF 0.8973
699 FBU 0.8973
700 ZVO 0.8971
701 4CL 0.8970
702 226 0.8970
703 W81 0.8969
704 TLD 0.8968
705 LDP 0.8967
706 23J 0.8967
707 39A 0.8966
708 97T 0.8962
709 3XX 0.8962
710 OTR 0.8962
711 GOX 0.8960
712 51R 0.8960
713 8HC 0.8959
714 IFP 0.8959
715 174 0.8954
716 4MA 0.8954
717 DGJ 0.8954
718 DEN 0.8954
719 PKU 0.8953
720 OA3 0.8953
721 SRO 0.8953
722 MWJ 0.8952
723 GVG 0.8952
724 25W 0.8952
725 PBZ 0.8949
726 WOO 0.8948
727 GIF 0.8947
728 8OZ 0.8946
729 UFV 0.8946
730 A1U 0.8945
731 MAN 0.8944
732 GAF 0.8944
733 7MH 0.8942
734 DEE 0.8942
735 4KL 0.8938
736 42J 0.8938
737 27Y 0.8938
738 BZI 0.8938
739 NTM 0.8937
740 AEF 0.8936
741 GTL 0.8934
742 NSG 0.8934
743 GNL 0.8934
744 EJZ 0.8934
745 826 0.8933
746 5VL 0.8933
747 TM7 0.8932
748 ASC 0.8931
749 NGT 0.8931
750 IND 0.8930
751 ROI 0.8930
752 BPN 0.8927
753 2YU 0.8926
754 R20 0.8925
755 PFL 0.8924
756 IAC 0.8924
757 GLY PRO 0.8924
758 3R6 0.8922
759 ZZ8 0.8920
760 G12 0.8919
761 AIN 0.8918
762 P72 0.8917
763 X09 0.8916
764 T6C 0.8915
765 NGA 0.8915
766 CPZ 0.8915
767 ZZZ 0.8914
768 4VS 0.8914
769 K8X 0.8913
770 SW7 0.8912
771 5JC 0.8912
772 FRU 0.8912
773 ALL 0.8911
774 FA3 0.8909
775 LZ1 0.8908
776 SNO 0.8906
777 ESP 0.8906
778 Q77 0.8906
779 NFM 0.8905
780 LYL 0.8905
781 BZF 0.8905
782 TXW 0.8904
783 HT4 0.8901
784 ICB 0.8901
785 K82 0.8899
786 JXN 0.8899
787 4ZA 0.8898
788 1WG 0.8898
789 30G 0.8897
790 RPQ 0.8895
791 ZWZ 0.8895
792 BEZ 0.8894
793 KFH 0.8893
794 JKZ 0.8893
795 GXL 0.8893
796 4JP 0.8892
797 MJ2 0.8892
798 BSX 0.8891
799 1X7 0.8891
800 1P3 0.8891
801 4VP 0.8890
802 1A7 0.8890
803 6FZ 0.8889
804 YCP 0.8886
805 46P 0.8884
806 G4D 0.8884
807 4ZC 0.8883
808 BAM 0.8883
809 F69 0.8883
810 FDK 0.8883
811 AMH 0.8882
812 FH2 0.8882
813 HA5 0.8881
814 PHU 0.8880
815 KLW 0.8880
816 YIO 0.8880
817 F4E 0.8879
818 7FF 0.8876
819 GVH 0.8876
820 0CT 0.8876
821 JFD 0.8875
822 MPI 0.8874
823 XYS 0.8874
824 DX3 0.8873
825 6PC 0.8872
826 NCA 0.8872
827 6LW 0.8871
828 M4T 0.8870
829 IF7 0.8870
830 IPZ 0.8870
831 4WL 0.8869
832 0R1 0.8869
833 H8N 0.8868
834 GCO 0.8868
835 IUP 0.8867
836 BEN 0.8867
837 GF4 0.8867
838 3DO 0.8866
839 FAN 0.8866
840 AC6 0.8866
841 FBM 0.8866
842 JUG 0.8866
843 HA7 0.8866
844 3SK 0.8866
845 ADA 0.8866
846 AGK 0.8865
847 LCN 0.8864
848 F2W 0.8863
849 49O 0.8863
850 Y8I 0.8862
851 P84 0.8862
852 JXW 0.8862
853 5LA 0.8860
854 IWT 0.8858
855 AJY 0.8857
856 PHH 0.8857
857 YSO 0.8857
858 4I8 0.8857
859 PHE 0.8856
860 PA1 0.8856
861 FQI 0.8854
862 39O 0.8854
863 GBD 0.8854
864 BPY 0.8853
865 G1O 0.8853
866 X0V 0.8849
867 EXD 0.8849
868 FBW 0.8847
869 FUL 0.8847
870 NGW 0.8846
871 EOL 0.8846
872 MNM 0.8846
873 GHM 0.8845
874 OAA 0.8845
875 12M 0.8845
876 RIP 0.8843
877 PEA 0.8843
878 2CQ 0.8842
879 3R4 0.8841
880 14J 0.8841
881 GDL 0.8841
882 259 0.8840
883 N7I 0.8839
884 EYK 0.8838
885 DMJ 0.8838
886 DBX 0.8835
887 NK 0.8834
888 5NE 0.8834
889 IFM 0.8834
890 0R0 0.8833
891 F5B 0.8832
892 CN0 0.8831
893 S0E 0.8831
894 H7Y 0.8830
895 NBZ 0.8830
896 8MO 0.8830
897 RSO 0.8830
898 IDM 0.8828
899 OXQ 0.8827
900 K6X 0.8827
901 TBP 0.8827
902 HHT 0.8826
903 GT0 0.8826
904 N3W 0.8825
905 SR1 0.8825
906 2HC 0.8824
907 RSF 0.8823
908 ZB1 0.8822
909 RMN 0.8821
910 K25 0.8820
911 CFA 0.8819
912 DA4 0.8819
913 0MK 0.8819
914 F1A 0.8818
915 NIO 0.8818
916 EXO 0.8818
917 8XL 0.8817
918 A2G 0.8817
919 1WC 0.8816
920 JBK 0.8815
921 AN3 0.8814
922 EN1 0.8812
923 FB1 0.8812
924 VNJ 0.8811
925 6XI 0.8811
926 150 0.8809
927 CIT 0.8808
928 K34 0.8807
929 JBE 0.8807
930 APS 0.8805
931 RNO 0.8804
932 45C 0.8804
933 J01 0.8804
934 TPA 0.8804
935 60P 0.8803
936 M6Z 0.8802
937 0XT 0.8802
938 FBT 0.8802
939 GAG 0.8801
940 B56 0.8799
941 HLR 0.8798
942 FUC 0.8798
943 9FE 0.8797
944 7I2 0.8797
945 KYD 0.8796
946 4JM 0.8795
947 4NB 0.8795
948 SNU 0.8794
949 8NB 0.8794
950 OTD 0.8792
951 MSR 0.8791
952 PBA 0.8791
953 MVL 0.8791
954 XXP 0.8790
955 V6F 0.8789
956 PIM 0.8788
957 NVU 0.8787
958 FA1 0.8787
959 27B 0.8784
960 XRG 0.8784
961 HTP 0.8784
962 GNM 0.8783
963 AH8 0.8781
964 UNU 0.8779
965 NLA 0.8779
966 DE5 0.8778
967 GIM 0.8778
968 M1E 0.8777
969 EKZ 0.8777
970 KBB 0.8777
971 6OT 0.8777
972 4V2 0.8775
973 FCR 0.8775
974 AC0 0.8775
975 EUE 0.8774
976 JP2 0.8773
977 ESX 0.8773
978 55D 0.8772
979 4FH 0.8772
980 NTN 0.8772
981 HBO 0.8770
982 60Q 0.8770
983 JZ9 0.8770
984 X0U 0.8769
985 P9E 0.8767
986 RAM 0.8767
987 7D2 0.8766
988 MHK 0.8764
989 KBG 0.8764
990 BDF 0.8764
991 FLC 0.8764
992 F9P 0.8763
993 MPV 0.8763
994 1XA 0.8763
995 AZF 0.8762
996 PZM 0.8761
997 LNR 0.8760
998 L99 0.8758
999 PZA 0.8758
1000 RHU 0.8754
1001 C2B 0.8754
1002 2GS 0.8753
1003 O72 0.8753
1004 68A 0.8753
1005 ZXD 0.8753
1006 3RK 0.8753
1007 H6B 0.8753
1008 XCZ 0.8752
1009 TC7 0.8752
1010 GCV 0.8752
1011 FBV 0.8750
1012 V1T 0.8749
1013 OXZ 0.8749
1014 67X 0.8749
1015 PIY 0.8749
1016 EGR 0.8747
1017 3J8 0.8746
1018 549 0.8746
1019 M2H 0.8746
1020 VGL 0.8744
1021 DQA 0.8744
1022 XBT 0.8744
1023 KTJ 0.8743
1024 BR8 0.8742
1025 RB5 0.8741
1026 GTZ 0.8741
1027 5FN 0.8740
1028 L3Q 0.8740
1029 TFU 0.8740
1030 LQ2 0.8739
1031 BZJ 0.8738
1032 MAJ 0.8738
1033 I3E 0.8737
1034 OQC 0.8736
1035 A65 0.8734
1036 PBC 0.8733
1037 4SX 0.8733
1038 54X 0.8733
1039 IDH 0.8730
1040 JYB 0.8730
1041 DFU 0.8730
1042 BSP 0.8729
1043 286 0.8729
1044 6UA 0.8729
1045 RNS 0.8728
1046 LEL 0.8726
1047 NCD 0.8726
1048 61M 0.8724
1049 MFB 0.8723
1050 CK2 0.8722
1051 28N 0.8722
1052 KP6 0.8719
1053 QIC 0.8719
1054 GO2 0.8718
1055 5TY 0.8716
1056 091 0.8712
1057 4VY 0.8712
1058 4JC 0.8709
1059 363 0.8708
1060 RBL 0.8708
1061 HXX 0.8708
1062 C2A 0.8708
1063 6Q3 0.8706
1064 F4Z 0.8706
1065 5ZE 0.8706
1066 RIB 0.8703
1067 QSB 0.8702
1068 SVD 0.8701
1069 PAC 0.8699
1070 FPY 0.8697
1071 TSU 0.8695
1072 J9T 0.8695
1073 FBA 0.8693
1074 SLC 0.8691
1075 8GK 0.8691
1076 FCB 0.8690
1077 FA6 0.8686
1078 XQI 0.8682
1079 5NS 0.8682
1080 SF9 0.8679
1081 XUL 0.8679
1082 3BU 0.8678
1083 4A5 0.8673
1084 KTA 0.8673
1085 7VP 0.8671
1086 86L 0.8670
1087 PYG 0.8669
1088 35C 0.8668
1089 DK1 0.8667
1090 AEZ 0.8666
1091 BNT 0.8664
1092 A7N 0.8661
1093 Q02 0.8661
1094 QQQ 0.8660
1095 4JL 0.8659
1096 BBK 0.8657
1097 MT5 0.8657
1098 IOS 0.8656
1099 ERH 0.8656
1100 GSY 0.8655
1101 DQN 0.8655
1102 13X 0.8655
1103 LPK 0.8654
1104 23W 0.8653
1105 J9N 0.8653
1106 2JK 0.8651
1107 TZF 0.8648
1108 DHS 0.8648
1109 6MH 0.8648
1110 06B 0.8647
1111 OGA 0.8646
1112 OK7 0.8645
1113 GMN 0.8642
1114 LMR 0.8640
1115 HFB 0.8640
1116 SRT 0.8637
1117 DVQ 0.8637
1118 SYR 0.8637
1119 IBF 0.8636
1120 6QF 0.8635
1121 SLS 0.8635
1122 GLT 0.8630
1123 2MN 0.8630
1124 HBX 0.8630
1125 AEH 0.8629
1126 FCA 0.8627
1127 5VJ 0.8627
1128 4V6 0.8627
1129 N0Z 0.8626
1130 DYA 0.8626
1131 VM1 0.8625
1132 A5E 0.8625
1133 0LH 0.8624
1134 FBS 0.8623
1135 1Z6 0.8620
1136 SKF 0.8620
1137 TAR 0.8619
1138 BCF 0.8618
1139 GOG 0.8617
1140 CKX 0.8617
1141 DUB 0.8614
1142 MBD 0.8614
1143 IP0 0.8614
1144 SYN 0.8610
1145 BBF 0.8609
1146 1U1 0.8608
1147 LZ2 0.8607
1148 LT8 0.8607
1149 0TR 0.8607
1150 S60 0.8600
1151 ABE 0.8600
1152 2CM 0.8597
1153 PYF 0.8596
1154 BGU 0.8595
1155 18N 0.8595
1156 RAT 0.8590
1157 7WG 0.8590
1158 7N0 0.8589
1159 H76 0.8586
1160 2MY 0.8585
1161 1DV 0.8584
1162 36Y 0.8582
1163 TAG 0.8581
1164 FHN 0.8579
1165 GCW 0.8576
1166 GLO 0.8576
1167 M3H 0.8575
1168 3CE 0.8573
1169 AAS 0.8571
1170 94N 0.8566
1171 JF2 0.8565
1172 KMY 0.8563
1173 2O6 0.8555
1174 3GQ 0.8554
1175 2C9 0.8554
1176 HX4 0.8553
1177 TIY 0.8551
1178 PRY 0.8550
1179 JF1 0.8550
1180 9LI 0.8549
1181 0BP 0.8547
1182 282 0.8544
1183 3MC 0.8542
1184 64C 0.8537
1185 4P0 0.8533
1186 2CZ 0.8531
1187 K44 0.8530
1188 HHH 0.8517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6C1S; Ligand: EFV; 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: 6c1s.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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