Receptor
PDB id Resolution Class Description Source Keywords
5FZJ 2.01 Å NON-ENZYME: OTHER STRUCTURE OF THE KEAP1 KELCH DOMAIN IN COMPLEX WITH A SMALL INHIBITOR. MUS MUSCULUS TRANSCRIPTION KEAP1 NRF2 OXIDATIVE STRESS
Ref.: MONO-ACIDIC INHIBITORS OF THE KELCH-LIKE ECH-ASSOCI PROTEIN 1 : NUCLEAR FACTOR ERYTHROID 2-RELATED FACT (KEAP1:NRF2) PROTEIN-PROTEIN INTERACTION WITH HIGH POTENCY IDENTIFIED BY FRAGMENT-BASED DISCOVERY. J.MED.CHEM. V. 59 3991 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
75K A:1614;
Valid;
none;
submit data
165.146 C8 H7 N O3 Cc1nc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FNU 1.78 Å NON-ENZYME: OTHER STRUCTURE OF THE KEAP1 KELCH DOMAIN IN COMPLEX WITH A SMALL INHIBITOR. MUS MUSCULUS TRANSCRIPTION KEAP1 NRF2 OXIDATIVE STRESS
Ref.: MONO-ACIDIC INHIBITORS OF THE KELCH-LIKE ECH-ASSOCI PROTEIN 1 : NUCLEAR FACTOR ERYTHROID 2-RELATED FACT (KEAP1:NRF2) PROTEIN-PROTEIN INTERACTION WITH HIGH POTENCY IDENTIFIED BY FRAGMENT-BASED DISCOVERY. J.MED.CHEM. V. 59 3991 2016
Members (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6T7Z ic50 = 55 nM ACY MV5 ASA 4FB GLU THR GLY GLU n/a n/a
2 5FNT Kd = 0.67 uM 0PL C24 H23 Cl N4 O4 S Cn1c2ccc(c....
3 4L7C ic50 = 7.4 uM 1VW C26 H26 N6 O3 c1ccc2c(c1....
4 5FNU Kd = 0.0013 uM L6I C28 H30 N4 O6 S Cc1ccc(cc1....
5 7C60 Kd = 27 nM NF3 C6 H8 O4 CCOC(=O)/C....
6 4ZY3 - K67 C29 H30 N2 O7 S2 CCOc1ccc(c....
7 7C5E Kd = 8.4 nM FUM C4 H4 O4 C(=C/C(=O)....
8 5FZJ - 75K C8 H7 N O3 Cc1nc2c(o1....
9 6Z6A Kd = 3.7 uM Q9E C23 H30 N4 O6 S CC(=O)N1CC....
10 3ZGC - GLY ASP GLU GLU THR GLY GLU n/a n/a
11 5FNR Kd = 59 uM XMS C16 H14 Cl N3 O2 Cn1c2ccc(c....
12 6QMC - J6H C14 H12 Cl N O3 c1cc(ccc1[....
13 5FNS Kd = 4 uM XYY C19 H21 Cl N4 O4 S Cn1c2ccc(c....
14 1X2R Ka = 5510000 M^-1 LEU ASP GLU GLU THR GLY GLU PHE LEU n/a n/a
15 6QMD ic50 = 170 uM J6N C16 H14 Cl N3 O2 Cn1c2ccc(c....
16 6LRZ Kd = 10 nM EOU C6 H8 O4 COC(=O)/C=....
17 6UF0 ic50 = 230 nM Q5Y C26 H24 N2 O8 S2 COc1ccc(cc....
18 6V6Z ic50 = 63 nM Q5Y C26 H24 N2 O8 S2 COc1ccc(cc....
19 5FNQ - S0W C9 H9 Cl O2 c1cc(ccc1C....
20 6TYP Kd = 2.7 nM PKG C28 H28 N4 O3 CCn1c2ccc(....
21 6QME ic50 = 44 uM J6Q C17 H16 Cl N3 O2 Cc1cc(ccc1....
22 4L7D ic50 = 0.75 uM 1VX C27 H30 N2 O4 Cc1cccc2c1....
23 6TYM Kd = 13.5 nM 08A C29 H30 N4 O3 CCn1c2ccc(....
24 5FZN - FB2 C6 H7 N O2 S c1ccc(cc1)....
25 5X54 Kd = 10 uM ACE GLU TRP TRP TRP n/a n/a
26 6QMJ ic50 = 0.069 uM J6K C26 H28 N4 O5 S Cc1ccc(cc1....
27 4L7B ic50 = 2.3 uM 1VV C26 H26 N2 O5 c1ccc2c(c1....
28 4IQK ic50 = 2.7 uM IQK C24 H22 N2 O6 S2 COc1ccc(cc....
29 4XMB Kd = 44 nM 41P C28 H28 N4 O8 S2 COc1ccc(cc....
70% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6T7Z ic50 = 55 nM ACY MV5 ASA 4FB GLU THR GLY GLU n/a n/a
2 5FNT Kd = 0.67 uM 0PL C24 H23 Cl N4 O4 S Cn1c2ccc(c....
3 4L7C ic50 = 7.4 uM 1VW C26 H26 N6 O3 c1ccc2c(c1....
4 5FNU Kd = 0.0013 uM L6I C28 H30 N4 O6 S Cc1ccc(cc1....
5 7C60 Kd = 27 nM NF3 C6 H8 O4 CCOC(=O)/C....
6 4ZY3 - K67 C29 H30 N2 O7 S2 CCOc1ccc(c....
7 7C5E Kd = 8.4 nM FUM C4 H4 O4 C(=C/C(=O)....
8 5FZJ - 75K C8 H7 N O3 Cc1nc2c(o1....
9 6Z6A Kd = 3.7 uM Q9E C23 H30 N4 O6 S CC(=O)N1CC....
10 3ZGC - GLY ASP GLU GLU THR GLY GLU n/a n/a
11 5FNR Kd = 59 uM XMS C16 H14 Cl N3 O2 Cn1c2ccc(c....
12 6QMC - J6H C14 H12 Cl N O3 c1cc(ccc1[....
13 5FNS Kd = 4 uM XYY C19 H21 Cl N4 O4 S Cn1c2ccc(c....
14 1X2R Ka = 5510000 M^-1 LEU ASP GLU GLU THR GLY GLU PHE LEU n/a n/a
15 6QMD ic50 = 170 uM J6N C16 H14 Cl N3 O2 Cn1c2ccc(c....
16 6LRZ Kd = 10 nM EOU C6 H8 O4 COC(=O)/C=....
17 6UF0 ic50 = 230 nM Q5Y C26 H24 N2 O8 S2 COc1ccc(cc....
18 6V6Z ic50 = 63 nM Q5Y C26 H24 N2 O8 S2 COc1ccc(cc....
19 5FNQ - S0W C9 H9 Cl O2 c1cc(ccc1C....
20 6TYP Kd = 2.7 nM PKG C28 H28 N4 O3 CCn1c2ccc(....
21 6QME ic50 = 44 uM J6Q C17 H16 Cl N3 O2 Cc1cc(ccc1....
22 4L7D ic50 = 0.75 uM 1VX C27 H30 N2 O4 Cc1cccc2c1....
23 6TYM Kd = 13.5 nM 08A C29 H30 N4 O3 CCn1c2ccc(....
24 5FZN - FB2 C6 H7 N O2 S c1ccc(cc1)....
25 5X54 Kd = 10 uM ACE GLU TRP TRP TRP n/a n/a
26 6QMJ ic50 = 0.069 uM J6K C26 H28 N4 O5 S Cc1ccc(cc1....
27 4L7B ic50 = 2.3 uM 1VV C26 H26 N2 O5 c1ccc2c(c1....
28 4IQK ic50 = 2.7 uM IQK C24 H22 N2 O6 S2 COc1ccc(cc....
29 4XMB Kd = 44 nM 41P C28 H28 N4 O8 S2 COc1ccc(cc....
30 6QMK ic50 = 0.047 uM J8H C27 H28 N4 O6 S Cc1ccc(cc1....
31 6FMQ - ACE DYW GLU THR GLY GLU LEU n/a n/a
50% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6T7Z ic50 = 55 nM ACY MV5 ASA 4FB GLU THR GLY GLU n/a n/a
2 5FNT Kd = 0.67 uM 0PL C24 H23 Cl N4 O4 S Cn1c2ccc(c....
3 4L7C ic50 = 7.4 uM 1VW C26 H26 N6 O3 c1ccc2c(c1....
4 5FNU Kd = 0.0013 uM L6I C28 H30 N4 O6 S Cc1ccc(cc1....
5 7C60 Kd = 27 nM NF3 C6 H8 O4 CCOC(=O)/C....
6 4ZY3 - K67 C29 H30 N2 O7 S2 CCOc1ccc(c....
7 7C5E Kd = 8.4 nM FUM C4 H4 O4 C(=C/C(=O)....
8 5FZJ - 75K C8 H7 N O3 Cc1nc2c(o1....
9 6Z6A Kd = 3.7 uM Q9E C23 H30 N4 O6 S CC(=O)N1CC....
10 3ZGC - GLY ASP GLU GLU THR GLY GLU n/a n/a
11 5FNR Kd = 59 uM XMS C16 H14 Cl N3 O2 Cn1c2ccc(c....
12 6QMC - J6H C14 H12 Cl N O3 c1cc(ccc1[....
13 5FNS Kd = 4 uM XYY C19 H21 Cl N4 O4 S Cn1c2ccc(c....
14 1X2R Ka = 5510000 M^-1 LEU ASP GLU GLU THR GLY GLU PHE LEU n/a n/a
15 6QMD ic50 = 170 uM J6N C16 H14 Cl N3 O2 Cn1c2ccc(c....
16 6LRZ Kd = 10 nM EOU C6 H8 O4 COC(=O)/C=....
17 6UF0 ic50 = 230 nM Q5Y C26 H24 N2 O8 S2 COc1ccc(cc....
18 6V6Z ic50 = 63 nM Q5Y C26 H24 N2 O8 S2 COc1ccc(cc....
19 5FNQ - S0W C9 H9 Cl O2 c1cc(ccc1C....
20 6TYP Kd = 2.7 nM PKG C28 H28 N4 O3 CCn1c2ccc(....
21 6QME ic50 = 44 uM J6Q C17 H16 Cl N3 O2 Cc1cc(ccc1....
22 4L7D ic50 = 0.75 uM 1VX C27 H30 N2 O4 Cc1cccc2c1....
23 6TYM Kd = 13.5 nM 08A C29 H30 N4 O3 CCn1c2ccc(....
24 5FZN - FB2 C6 H7 N O2 S c1ccc(cc1)....
25 5X54 Kd = 10 uM ACE GLU TRP TRP TRP n/a n/a
26 6QMJ ic50 = 0.069 uM J6K C26 H28 N4 O5 S Cc1ccc(cc1....
27 4L7B ic50 = 2.3 uM 1VV C26 H26 N2 O5 c1ccc2c(c1....
28 4IQK ic50 = 2.7 uM IQK C24 H22 N2 O6 S2 COc1ccc(cc....
29 4XMB Kd = 44 nM 41P C28 H28 N4 O8 S2 COc1ccc(cc....
30 6QMK ic50 = 0.047 uM J8H C27 H28 N4 O6 S Cc1ccc(cc1....
31 6FMQ - ACE DYW GLU THR GLY GLU LEU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 75K; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 75K 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 75K; Similar ligands found: 1193
No: Ligand Similarity coefficient
1 URC 1.0000
2 B55 1.0000
3 8TX 1.0000
4 XAZ 1.0000
5 BTY 0.9980
6 5JL 0.9942
7 QBK 0.9937
8 5JQ 0.9936
9 8IG 0.9906
10 9DG 0.9792
11 AZ8 0.9790
12 GUN 0.9775
13 M6N 0.9774
14 BGC 0.9774
15 PE0 0.9768
16 J9W 0.9767
17 AZA 0.9764
18 M5K 0.9758
19 MEW 0.9747
20 AJ2 0.9744
21 AQO 0.9732
22 Q24 0.9730
23 ES0 0.9727
24 XAN 0.9727
25 CWM 0.9725
26 YH7 0.9719
27 IGA 0.9716
28 MUA 0.9712
29 4HC 0.9707
30 AZG 0.9695
31 1XM 0.9689
32 ET2 0.9687
33 BOA 0.9687
34 A2F 0.9683
35 M1Q 0.9678
36 141 0.9676
37 DX4 0.9663
38 Q88 0.9655
39 VGD 0.9644
40 QX4 0.9644
41 6AP 0.9643
42 36R 0.9642
43 0FO 0.9637
44 B62 0.9637
45 1P8 0.9633
46 5VM 0.9632
47 ES2 0.9630
48 KT7 0.9621
49 CLW 0.9621
50 BCP 0.9618
51 GLC 0.9618
52 XHP 0.9617
53 CFP 0.9613
54 2D0 0.9605
55 290 0.9604
56 0CU 0.9602
57 DQU 0.9598
58 2AK 0.9590
59 4MU 0.9587
60 OTW 0.9585
61 4ME 0.9567
62 HH5 0.9558
63 XQ0 0.9552
64 44W 0.9543
65 HMH 0.9543
66 FBB 0.9540
67 CWJ 0.9539
68 H42 0.9530
69 A7W 0.9527
70 IV2 0.9526
71 MVN 0.9522
72 FYU 0.9521
73 K2T 0.9518
74 6VD 0.9517
75 VK3 0.9515
76 RXA 0.9515
77 RM1 0.9513
78 VNL 0.9505
79 5SG 0.9503
80 AZ9 0.9498
81 DRL 0.9494
82 HQY 0.9492
83 44V 0.9490
84 NQ 0.9488
85 EA1 0.9488
86 5IQ 0.9482
87 1NP 0.9481
88 HQD 0.9481
89 FA0 0.9476
90 EV0 0.9476
91 5Q0 0.9476
92 NOJ 0.9476
93 DOB 0.9475
94 BHA 0.9475
95 0N7 0.9475
96 4M0 0.9472
97 6RQ 0.9472
98 COU 0.9472
99 BZX 0.9469
100 2EC 0.9469
101 N5J 0.9468
102 G3F 0.9468
103 O72 0.9467
104 DIN 0.9464
105 4YS 0.9464
106 ES1 0.9464
107 5NU 0.9463
108 S76 0.9463
109 5OB 0.9462
110 3F0 0.9461
111 9MG 0.9458
112 PQ0 0.9456
113 24W 0.9456
114 0P6 0.9455
115 1SQ 0.9455
116 2AQ 0.9454
117 86J 0.9453
118 MS9 0.9453
119 4FS 0.9450
120 5CU 0.9449
121 MRW 0.9446
122 2AL 0.9446
123 OCH 0.9445
124 1LM 0.9445
125 GCS 0.9442
126 J9Q 0.9441
127 JB5 0.9440
128 6ME 0.9440
129 HJP 0.9439
130 AS3 0.9438
131 2HQ 0.9438
132 KIB 0.9437
133 03V 0.9436
134 ES9 0.9436
135 ODO 0.9436
136 4HM 0.9435
137 JPZ 0.9433
138 FDB 0.9433
139 BZ3 0.9432
140 KUF 0.9432
141 2K4 0.9431
142 F60 0.9431
143 UEG 0.9431
144 JBH 0.9429
145 PH2 0.9427
146 11S 0.9425
147 94W 0.9424
148 14O 0.9424
149 3ID 0.9423
150 FK1 0.9423
151 JND 0.9422
152 1LQ 0.9421
153 92K 0.9420
154 5H1 0.9420
155 ORO 0.9420
156 CWS 0.9419
157 7VS 0.9419
158 M0Q 0.9418
159 INE 0.9418
160 ZZT 0.9417
161 7NI 0.9417
162 ES5 0.9415
163 MO8 0.9413
164 6AI 0.9410
165 SYV 0.9409
166 5MI 0.9408
167 H4N 0.9406
168 7HQ 0.9405
169 H33 0.9405
170 3DM 0.9403
171 FOT 0.9402
172 APZ 0.9401
173 8WO 0.9401
174 3M0 0.9400
175 KKN 0.9397
176 BEA 0.9397
177 4TU 0.9395
178 UNC 0.9395
179 8CM 0.9394
180 5MB 0.9394
181 KJU 0.9393
182 DMD 0.9391
183 209 0.9387
184 97T 0.9387
185 AX7 0.9383
186 TWO 0.9383
187 7W4 0.9380
188 270 0.9379
189 3HA 0.9379
190 ISN 0.9378
191 AX3 0.9377
192 F0J 0.9376
193 NID 0.9376
194 5XC 0.9375
195 I3A 0.9375
196 67N 0.9375
197 B53 0.9375
198 DBH 0.9371
199 LZM 0.9367
200 8WT 0.9366
201 HMU 0.9366
202 10L 0.9364
203 G3E 0.9364
204 5RO 0.9363
205 42A 0.9363
206 8S0 0.9362
207 8NX 0.9361
208 M1H 0.9361
209 4XH 0.9360
210 B60 0.9360
211 2A9 0.9360
212 P92 0.9358
213 OXC 0.9357
214 QPR 0.9356
215 R8V 0.9356
216 JAE 0.9354
217 5WV 0.9352
218 FE DB1 0.9352
219 SHA 0.9352
220 B57 0.9352
221 V55 0.9348
222 HPA 0.9348
223 TTL 0.9348
224 QWN 0.9346
225 2MI 0.9346
226 7B4 0.9343
227 MAQ 0.9342
228 5WY 0.9342
229 Q6T 0.9340
230 1XN 0.9338
231 8H8 0.9337
232 5RN 0.9337
233 0W8 0.9337
234 HH8 0.9334
235 2A7 0.9333
236 4CS 0.9332
237 ES7 0.9330
238 IJZ 0.9329
239 7ME 0.9329
240 ADE 0.9328
241 9R5 0.9325
242 BDP 0.9324
243 82I 0.9323
244 N8Y 0.9322
245 CLZ 0.9318
246 42C 0.9318
247 7WA 0.9318
248 D07 0.9317
249 8NY 0.9315
250 BP1 0.9315
251 HLZ 0.9314
252 F9Y 0.9314
253 2FQ 0.9314
254 M1A 0.9314
255 NDM 0.9313
256 7W1 0.9312
257 2ZQ 0.9312
258 ICO 0.9308
259 AKH 0.9307
260 2F6 0.9307
261 AHR 0.9306
262 8GC 0.9306
263 9HX 0.9305
264 6MP 0.9305
265 Z5P 0.9304
266 TEP 0.9303
267 KYA 0.9303
268 3PF 0.9302
269 SWA 0.9302
270 20J 0.9300
271 7HP 0.9296
272 KIA 0.9294
273 5GU 0.9294
274 12Q 0.9293
275 2H5 0.9293
276 23A 0.9291
277 MR1 0.9291
278 9DA 0.9290
279 MQN 0.9289
280 PXL 0.9289
281 OVM 0.9288
282 ADZ 0.9287
283 NMJ 0.9287
284 KJH 0.9286
285 4JQ 0.9285
286 ABV 0.9285
287 3NT 0.9284
288 XYP 0.9283
289 261 0.9282
290 BTE 0.9281
291 12B 0.9280
292 QXW 0.9279
293 SVN 0.9279
294 24B 0.9277
295 C2U 0.9275
296 4AA 0.9275
297 UAN 0.9275
298 3MG 0.9275
299 3HB 0.9274
300 4XR 0.9274
301 PRF 0.9273
302 7MU 0.9272
303 3MB 0.9272
304 3Z8 0.9272
305 5HN 0.9271
306 D48 0.9270
307 DOR 0.9270
308 J6W 0.9269
309 XQG 0.9268
310 FDR 0.9268
311 1P7 0.9267
312 5QY 0.9267
313 M1E 0.9266
314 J5I 0.9266
315 7ZE 0.9265
316 PXM 0.9264
317 5QX 0.9263
318 3AB 0.9263
319 GAB 0.9260
320 4JT 0.9260
321 PDC 0.9260
322 SE2 0.9259
323 GAL 0.9257
324 OVV 0.9256
325 K22 0.9256
326 9KT 0.9256
327 5RG 0.9255
328 SOE 0.9253
329 CTL 0.9252
330 WCE 0.9251
331 34D 0.9249
332 DHK 0.9248
333 Q71 0.9246
334 1M2 0.9245
335 JTH 0.9245
336 ES4 0.9243
337 N2I 0.9243
338 BE2 0.9240
339 AW5 0.9238
340 II6 0.9238
341 SKA 0.9237
342 6M9 0.9237
343 0TU 0.9236
344 K3Q 0.9234
345 D1X 0.9233
346 LXC 0.9233
347 5B1 0.9231
348 3IT 0.9231
349 PM6 0.9228
350 PYQ 0.9228
351 HQT 0.9228
352 52C 0.9228
353 2FG 0.9228
354 HIS 0.9228
355 4NC 0.9225
356 XIY 0.9225
357 GDE 0.9224
358 0RW 0.9222
359 M2K 0.9221
360 HHA 0.9220
361 PRZ 0.9220
362 4YO 0.9219
363 SXS 0.9219
364 DIU 0.9219
365 KJY 0.9218
366 SAL 0.9218
367 HQJ 0.9218
368 8ZE 0.9216
369 3BZ 0.9214
370 MT0 0.9212
371 FP1 0.9211
372 GIO 0.9211
373 TT4 0.9210
374 F05 0.9210
375 VOH 0.9210
376 9EW 0.9209
377 GXY 0.9207
378 CTS 0.9207
379 OW4 0.9206
380 1DW 0.9206
381 K32 0.9203
382 6CS 0.9203
383 EUG 0.9202
384 AJV 0.9200
385 GJS 0.9200
386 JLZ 0.9199
387 BRT 0.9198
388 680 0.9198
389 KDV 0.9197
390 DHB 0.9196
391 JBQ 0.9196
392 6NT 0.9196
393 F12 0.9195
394 XX2 0.9193
395 F81 0.9193
396 53C 0.9192
397 5WX 0.9192
398 GM7 0.9190
399 E7S 0.9190
400 A29 0.9185
401 2LY 0.9182
402 495 0.9182
403 TH7 0.9182
404 PEY 0.9181
405 6M4 0.9181
406 5M0 0.9180
407 3WA 0.9179
408 B5D 0.9178
409 4M4 0.9178
410 7WR 0.9178
411 92P 0.9177
412 A13 0.9177
413 9FL 0.9176
414 BPU 0.9175
415 X0W 0.9174
416 MYJ 0.9174
417 INO 0.9174
418 4SV 0.9172
419 2HU 0.9172
420 DBJ 0.9170
421 NSP 0.9170
422 JBE 0.9168
423 LGC 0.9166
424 R9Y 0.9165
425 GTQ 0.9164
426 ZZ3 0.9162
427 ASO 0.9160
428 2ZM 0.9158
429 EQT 0.9158
430 YQA 0.9158
431 KOJ 0.9157
432 CFF 0.9157
433 SKM 0.9156
434 0HO 0.9155
435 3HM 0.9153
436 R8S 0.9153
437 QUZ 0.9152
438 FHB 0.9151
439 E7Z 0.9151
440 P9P 0.9151
441 PQK 0.9151
442 G5V 0.9150
443 3NY 0.9150
444 HZQ 0.9149
445 HHR 0.9148
446 GZ8 0.9148
447 0F9 0.9148
448 0JD 0.9146
449 4A3 0.9145
450 5UC 0.9144
451 5NI 0.9143
452 E5X 0.9141
453 54G 0.9140
454 XM0 0.9140
455 TSS 0.9140
456 LI6 0.9139
457 NPY 0.9139
458 K17 0.9139
459 NNO 0.9137
460 LDR 0.9137
461 G6D 0.9134
462 3OC 0.9132
463 93K 0.9131
464 1F1 0.9130
465 C2Y 0.9127
466 6NI 0.9125
467 GIV 0.9123
468 149 0.9123
469 12T 0.9122
470 JG8 0.9122
471 8W9 0.9120
472 ADK 0.9120
473 QAT 0.9119
474 2HO 0.9116
475 QAS 0.9115
476 GCU 0.9114
477 M0W 0.9113
478 TH0 0.9112
479 2KA 0.9111
480 0W1 0.9111
481 NDH 0.9110
482 069 0.9110
483 DFB 0.9110
484 0HN 0.9109
485 GLA 0.9107
486 ICP 0.9106
487 3FH 0.9106
488 GRE 0.9105
489 CH9 0.9105
490 4Z4 0.9104
491 3A9 0.9104
492 NAG 0.9103
493 4XV 0.9102
494 ES6 0.9102
495 3MA 0.9102
496 15N 0.9102
497 UFO 0.9102
498 7B3 0.9101
499 URF 0.9101
500 F31 0.9101
501 TGX 0.9100
502 IPB 0.9100
503 TDR 0.9098
504 OMD 0.9098
505 PHB 0.9097
506 ABI 0.9096
507 39U 0.9096
508 1MC 0.9095
509 G2F 0.9094
510 1GN 0.9094
511 293 0.9093
512 9TZ 0.9092
513 GZL 0.9092
514 32X 0.9091
515 IFL 0.9091
516 TTY 0.9088
517 3U4 0.9087
518 BK9 0.9087
519 TOF 0.9086
520 6KT 0.9086
521 PX7 0.9086
522 QSH 0.9086
523 DNC 0.9084
524 DNF 0.9083
525 9AP 0.9082
526 X05 0.9079
527 3Z7 0.9076
528 NPO 0.9076
529 NGO 0.9076
530 DNA 0.9075
531 PZI 0.9075
532 QSB 0.9074
533 SHG 0.9074
534 PD2 0.9073
535 HX3 0.9071
536 LSA 0.9071
537 HNQ 0.9070
538 JKE 0.9069
539 CHB 0.9068
540 6F0 0.9067
541 PFB 0.9067
542 WBU 0.9066
543 L5V 0.9066
544 37T 0.9066
545 43M 0.9064
546 DHQ 0.9061
547 NIZ 0.9060
548 BMA 0.9059
549 OVP 0.9058
550 GTR 0.9058
551 1PT 0.9058
552 2FY 0.9057
553 2ZV 0.9057
554 4FA 0.9057
555 JAW 0.9056
556 MCT 0.9056
557 HLD 0.9056
558 FGZ 0.9055
559 7WV 0.9054
560 9TW 0.9053
561 PYD 0.9053
562 BCU 0.9052
563 DHR 0.9052
564 PAB 0.9052
565 FBG 0.9052
566 7VJ 0.9050
567 2AC 0.9048
568 8XQ 0.9047
569 XYD 0.9044
570 2LP 0.9044
571 173 0.9044
572 TBS 0.9044
573 1WD 0.9043
574 DGJ 0.9043
575 TIU 0.9043
576 9CA 0.9042
577 SX1 0.9041
578 4HO 0.9041
579 2MP 0.9040
580 EMZ 0.9040
581 34A 0.9039
582 JIF 0.9039
583 XBZ 0.9038
584 4ZE 0.9038
585 5MK 0.9037
586 X8D 0.9036
587 K97 0.9036
588 LT2 0.9035
589 PNZ 0.9035
590 QWW 0.9034
591 MBG 0.9032
592 344 0.9031
593 GYE 0.9031
594 FLV 0.9030
595 4XS 0.9029
596 JZ2 0.9028
597 25W 0.9028
598 MWM 0.9027
599 4CL 0.9027
600 JU2 0.9027
601 275 0.9027
602 BZI 0.9027
603 0GZ 0.9025
604 NOY 0.9025
605 4ZC 0.9024
606 NTM 0.9024
607 4JJ 0.9023
608 M4E 0.9020
609 PHT 0.9019
610 A1U 0.9018
611 QOS 0.9018
612 QX2 0.9018
613 OA3 0.9018
614 FRU 0.9018
615 ONR 0.9016
616 6M1 0.9016
617 EVA 0.9016
618 226 0.9014
619 EJZ 0.9013
620 DEN 0.9013
621 RPQ 0.9013
622 BHO 0.9011
623 2BG 0.9010
624 51R 0.9010
625 15L 0.9008
626 Q7A 0.9008
627 E1T 0.9005
628 1IT 0.9005
629 HBA 0.9005
630 SRO 0.9005
631 NDG 0.9005
632 IND 0.9004
633 30G 0.9004
634 2CK 0.9003
635 0FN 0.9003
636 1A7 0.9001
637 VXX 0.9000
638 B2J 0.8999
639 27Y 0.8998
640 IHB 0.8998
641 3XX 0.8998
642 BR9 0.8997
643 5MH 0.8997
644 LKA 0.8997
645 ZYR 0.8995
646 HDH 0.8994
647 TM7 0.8994
648 IUR 0.8993
649 MWP 0.8993
650 H5B 0.8992
651 6BL 0.8992
652 4BY 0.8992
653 4JO 0.8991
654 I6G 0.8991
655 428 0.8990
656 329 0.8989
657 JFJ 0.8989
658 JZ3 0.8989
659 LDP 0.8988
660 3QV 0.8987
661 BZF 0.8984
662 ZVO 0.8983
663 ANN 0.8983
664 IFP 0.8983
665 0CT 0.8983
666 X09 0.8982
667 ESI 0.8982
668 JDN 0.8981
669 7MX 0.8979
670 PFL 0.8979
671 MPI 0.8978
672 BZJ 0.8976
673 LZ1 0.8976
674 2YU 0.8976
675 3RK 0.8976
676 DPZ 0.8975
677 2K8 0.8975
678 HLR 0.8974
679 NTZ 0.8974
680 E35 0.8973
681 G12 0.8973
682 39A 0.8973
683 HKD 0.8973
684 JBK 0.8972
685 MWJ 0.8971
686 4BL 0.8971
687 DIE 0.8971
688 8G0 0.8970
689 BZ2 0.8970
690 FUD 0.8970
691 GCB 0.8969
692 HBD 0.8969
693 XXR 0.8969
694 GLY PRO 0.8967
695 HT4 0.8966
696 AA 0.8966
697 0R0 0.8966
698 GIF 0.8966
699 23J 0.8965
700 1Y6 0.8965
701 5JC 0.8964
702 CKA 0.8963
703 MZG 0.8963
704 717 0.8962
705 KTW 0.8962
706 XYS 0.8962
707 PKU 0.8961
708 GAF 0.8961
709 ZZ8 0.8960
710 C9E 0.8960
711 GVH 0.8960
712 YSO 0.8960
713 W81 0.8958
714 SOR 0.8958
715 ISZ 0.8957
716 0R1 0.8956
717 15E 0.8955
718 JUG 0.8951
719 BEZ 0.8951
720 1AL 0.8946
721 RIP 0.8946
722 HA7 0.8945
723 ALL 0.8945
724 8HC 0.8944
725 BAM 0.8944
726 RSF 0.8944
727 AEF 0.8943
728 DRG 0.8943
729 F5B 0.8943
730 6GU 0.8939
731 RD4 0.8939
732 K37 0.8938
733 MAN 0.8938
734 6PC 0.8938
735 JR2 0.8937
736 BEN 0.8937
737 N3W 0.8936
738 M1Z 0.8935
739 1WG 0.8935
740 8OZ 0.8934
741 FUL 0.8934
742 5VL 0.8933
743 TLD 0.8932
744 1P3 0.8932
745 1KP 0.8930
746 WOO 0.8930
747 AIN 0.8930
748 3AL 0.8929
749 4VP 0.8929
750 K5W 0.8928
751 X6X 0.8928
752 0FK 0.8926
753 MNM 0.8926
754 NVU 0.8926
755 T6C 0.8925
756 JXN 0.8925
757 6TZ 0.8925
758 GJP 0.8922
759 7MH 0.8922
760 JB8 0.8922
761 Z82 0.8922
762 GCO 0.8920
763 AGK 0.8919
764 4P5 0.8919
765 GV9 0.8918
766 ZZZ 0.8916
767 0MK 0.8915
768 9ZE 0.8914
769 ICB 0.8914
770 IF7 0.8913
771 UNJ 0.8912
772 4BZ 0.8912
773 CFI 0.8911
774 4VS 0.8911
775 PA1 0.8911
776 GOJ 0.8910
777 47J 0.8910
778 DX3 0.8908
779 DBX 0.8905
780 FBU 0.8903
781 SLS 0.8903
782 1HN 0.8902
783 3R6 0.8902
784 AZF 0.8902
785 G1O 0.8901
786 ADA 0.8901
787 IUP 0.8900
788 3ZB 0.8900
789 HHS 0.8900
790 YRL 0.8898
791 NGT 0.8898
792 4MA 0.8896
793 RB5 0.8896
794 39O 0.8894
795 4RU 0.8894
796 PHH 0.8893
797 G4D 0.8893
798 IFM 0.8893
799 FA3 0.8893
800 LCN 0.8891
801 PBZ 0.8890
802 ANF 0.8890
803 OXQ 0.8890
804 GOX 0.8888
805 FUC 0.8888
806 UFV 0.8886
807 THA 0.8886
808 TXW 0.8885
809 AC6 0.8885
810 PJW 0.8885
811 NCA 0.8885
812 GT0 0.8884
813 GBD 0.8883
814 IDM 0.8883
815 4KL 0.8883
816 ZWZ 0.8883
817 42J 0.8882
818 826 0.8882
819 K8X 0.8882
820 TYL 0.8881
821 EKZ 0.8880
822 LYL 0.8880
823 EYK 0.8880
824 2CQ 0.8878
825 EXO 0.8878
826 12M 0.8877
827 YCP 0.8877
828 JP2 0.8875
829 NK 0.8875
830 JA8 0.8875
831 GXL 0.8874
832 FBT 0.8874
833 BSX 0.8871
834 Y8I 0.8871
835 EN1 0.8871
836 JZ9 0.8870
837 ROI 0.8870
838 J9T 0.8870
839 3SK 0.8870
840 PHE 0.8869
841 KLW 0.8867
842 1X7 0.8866
843 FDK 0.8864
844 6UA 0.8863
845 5NE 0.8862
846 VNJ 0.8862
847 X0V 0.8861
848 AY4 0.8860
849 174 0.8860
850 150 0.8858
851 ZB1 0.8856
852 TFU 0.8856
853 FA1 0.8854
854 Q77 0.8851
855 HTP 0.8851
856 PHU 0.8850
857 JFD 0.8849
858 IAC 0.8849
859 GAG 0.8848
860 OXZ 0.8848
861 F2W 0.8847
862 0XT 0.8847
863 P3K 0.8846
864 KFH 0.8846
865 GVG 0.8846
866 NBZ 0.8845
867 KYD 0.8845
868 FBW 0.8845
869 45L 0.8845
870 OW7 0.8844
871 JKZ 0.8844
872 HA5 0.8844
873 FH2 0.8842
874 6FZ 0.8842
875 AEZ 0.8842
876 HBO 0.8840
877 9FE 0.8840
878 EXD 0.8840
879 2MN 0.8840
880 27B 0.8840
881 YIO 0.8840
882 INS 0.8840
883 NIO 0.8838
884 4WL 0.8837
885 OTR 0.8834
886 A7H 0.8833
887 67X 0.8833
888 XBT 0.8831
889 DMJ 0.8830
890 SW7 0.8830
891 ARB 0.8830
892 HY3 0.8830
893 XXP 0.8829
894 M4T 0.8828
895 AJY 0.8828
896 FBM 0.8828
897 IDH 0.8827
898 FB1 0.8827
899 GHM 0.8825
900 TBP 0.8825
901 GIM 0.8825
902 KBG 0.8824
903 P72 0.8823
904 DFU 0.8822
905 LT8 0.8822
906 RAM 0.8822
907 JXW 0.8822
908 7I2 0.8821
909 OTD 0.8821
910 P84 0.8820
911 HXX 0.8820
912 URQ 0.8820
913 MVL 0.8819
914 BDF 0.8818
915 PEA 0.8818
916 45C 0.8815
917 6LW 0.8814
918 CN0 0.8813
919 VGL 0.8813
920 K82 0.8813
921 V6F 0.8813
922 DEE 0.8812
923 M5N 0.8811
924 091 0.8807
925 CFA 0.8807
926 28N 0.8807
927 60P 0.8804
928 PYG 0.8803
929 UNU 0.8802
930 ASC 0.8800
931 H8N 0.8799
932 IPZ 0.8798
933 3R4 0.8797
934 R20 0.8797
935 ZXD 0.8797
936 R9S 0.8795
937 MJ2 0.8794
938 XCZ 0.8793
939 F9P 0.8793
940 3BU 0.8791
941 BR8 0.8790
942 GTL 0.8789
943 NSG 0.8789
944 PZA 0.8789
945 RMN 0.8789
946 BPN 0.8789
947 3DO 0.8788
948 K6X 0.8787
949 8NB 0.8787
950 4VY 0.8787
951 286 0.8786
952 GF4 0.8786
953 PIM 0.8786
954 14J 0.8785
955 KTJ 0.8784
956 MSR 0.8784
957 AX2 0.8784
958 F69 0.8781
959 OAA 0.8781
960 3AY 0.8781
961 FPY 0.8780
962 J01 0.8779
963 1U6 0.8778
964 P4B 0.8775
965 SF9 0.8774
966 CIT 0.8773
967 4NM 0.8772
968 R8A 0.8772
969 F4Z 0.8771
970 FCA 0.8770
971 C2A 0.8770
972 5WU 0.8769
973 GTZ 0.8769
974 SR1 0.8769
975 EOL 0.8768
976 4ZA 0.8768
977 NTN 0.8767
978 LNR 0.8766
979 5ZE 0.8764
980 MFB 0.8764
981 8XL 0.8763
982 RHU 0.8762
983 35C 0.8761
984 AFR 0.8760
985 L99 0.8760
986 GMN 0.8760
987 60Q 0.8758
988 FAN 0.8758
989 GCV 0.8757
990 GNM 0.8755
991 KW8 0.8755
992 AC0 0.8754
993 46P 0.8753
994 4V2 0.8751
995 RSO 0.8751
996 7FF 0.8750
997 RIB 0.8750
998 NGA 0.8749
999 2GS 0.8748
1000 P9E 0.8748
1001 FCB 0.8748
1002 2DR 0.8748
1003 HFB 0.8747
1004 7D2 0.8747
1005 6MH 0.8747
1006 1WC 0.8747
1007 A65 0.8747
1008 MAJ 0.8746
1009 5AN 0.8745
1010 GDL 0.8745
1011 4I8 0.8743
1012 RNS 0.8743
1013 RM4 0.8743
1014 BPY 0.8742
1015 QIC 0.8742
1016 NLA 0.8742
1017 49O 0.8741
1018 H7Y 0.8740
1019 TC7 0.8740
1020 GOG 0.8740
1021 GSY 0.8740
1022 MBD 0.8740
1023 NCT 0.8738
1024 13X 0.8738
1025 PIY 0.8738
1026 JYB 0.8737
1027 6XI 0.8736
1028 2MY 0.8736
1029 GNL 0.8735
1030 XUL 0.8735
1031 TZF 0.8733
1032 N7I 0.8733
1033 DA4 0.8730
1034 6R8 0.8730
1035 61M 0.8727
1036 AN3 0.8725
1037 RBL 0.8725
1038 K34 0.8724
1039 ESX 0.8724
1040 DUB 0.8723
1041 ESP 0.8722
1042 8GK 0.8722
1043 FQI 0.8721
1044 DQA 0.8721
1045 GOO 0.8721
1046 F4E 0.8720
1047 463 0.8720
1048 6OT 0.8720
1049 ERH 0.8720
1050 259 0.8719
1051 H76 0.8719
1052 TPA 0.8719
1053 4FH 0.8718
1054 SN4 0.8718
1055 O2A 0.8717
1056 2HC 0.8715
1057 XRG 0.8715
1058 4JM 0.8715
1059 V1T 0.8714
1060 IWT 0.8714
1061 H6B 0.8714
1062 FBV 0.8713
1063 SNU 0.8712
1064 FLC 0.8712
1065 DQN 0.8710
1066 HHT 0.8709
1067 M6Z 0.8709
1068 FCR 0.8708
1069 MT5 0.8708
1070 K25 0.8706
1071 68A 0.8705
1072 3FA 0.8703
1073 PBC 0.8700
1074 3CE 0.8700
1075 95Z 0.8700
1076 IBF 0.8699
1077 6QF 0.8697
1078 1U1 0.8697
1079 06B 0.8696
1080 AH8 0.8695
1081 DE5 0.8695
1082 NGW 0.8695
1083 LMR 0.8695
1084 4SX 0.8695
1085 2ZX 0.8695
1086 PBA 0.8692
1087 23W 0.8692
1088 7CZ 0.8691
1089 549 0.8691
1090 SNO 0.8691
1091 PAC 0.8691
1092 5NS 0.8691
1093 L3Q 0.8690
1094 1XA 0.8689
1095 54X 0.8685
1096 FUF 0.8684
1097 5LA 0.8682
1098 2C9 0.8682
1099 AEH 0.8681
1100 SLC 0.8680
1101 2CM 0.8680
1102 F1A 0.8677
1103 BCF 0.8676
1104 BNT 0.8676
1105 BBF 0.8673
1106 3MC 0.8672
1107 GLT 0.8671
1108 4JP 0.8671
1109 IP0 0.8669
1110 0TR 0.8667
1111 XQI 0.8666
1112 CPZ 0.8666
1113 SG2 0.8663
1114 FBA 0.8663
1115 ABE 0.8661
1116 SYA 0.8661
1117 XYL 0.8660
1118 0LH 0.8660
1119 DHS 0.8660
1120 1DV 0.8659
1121 AMH 0.8657
1122 MPV 0.8654
1123 4A5 0.8650
1124 WDL 0.8650
1125 SRT 0.8650
1126 TSU 0.8645
1127 FLM 0.8641
1128 RNO 0.8636
1129 94N 0.8635
1130 XQK 0.8634
1131 9PY 0.8634
1132 IQ5 0.8631
1133 LPK 0.8631
1134 X0U 0.8630
1135 DS0 0.8630
1136 PZM 0.8628
1137 EGR 0.8627
1138 S0E 0.8627
1139 BIK 0.8623
1140 FFP 0.8623
1141 5VJ 0.8623
1142 OK7 0.8622
1143 SWD 0.8621
1144 WOT 0.8620
1145 FA6 0.8617
1146 KP6 0.8616
1147 6Q3 0.8613
1148 Q02 0.8613
1149 J9N 0.8610
1150 M3H 0.8610
1151 5FN 0.8609
1152 F3B 0.8609
1153 E3D 0.8609
1154 3J8 0.8608
1155 FPK 0.8605
1156 4NB 0.8602
1157 ENL 0.8601
1158 DK1 0.8600
1159 1Z6 0.8600
1160 5OF 0.8600
1161 HC4 0.8599
1162 BSP 0.8598
1163 HBX 0.8598
1164 KDF 0.8592
1165 KTA 0.8592
1166 LRH 0.8590
1167 9RW 0.8587
1168 LEL 0.8585
1169 QQQ 0.8583
1170 2JK 0.8581
1171 S60 0.8580
1172 4JL 0.8579
1173 5TY 0.8573
1174 TAR 0.8569
1175 TVP 0.8567
1176 CK2 0.8567
1177 BGU 0.8566
1178 LQ2 0.8565
1179 7N0 0.8565
1180 2O6 0.8565
1181 9LI 0.8565
1182 PYF 0.8562
1183 282 0.8561
1184 QSC 0.8560
1185 GCW 0.8555
1186 DYA 0.8551
1187 B56 0.8547
1188 5CL 0.8537
1189 GNV 0.8537
1190 A7N 0.8533
1191 IOS 0.8532
1192 N0Z 0.8525
1193 GTC 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FNU; Ligand: L6I; 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: 5fnu.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
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