Receptor
PDB id Resolution Class Description Source Keywords
6YV4 2 Å EC: 3.1.1.98 STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRRO CARBOXYLIC ACID FRAGMENT 686 HOMO SAPIENS WNT WNT SIGNALLING FRIZZLED FZD FRAGMENT SCREEN NOTUM
Ref.: SCREENING OF A CUSTOM-DESIGNED ACID FRAGMENT LIBRAR IDENTIFIES 1-PHENYLPYRROLES AND 1-PHENYLPYRROLIDINE INHIBITORS OF NOTUM CARBOXYLESTERASE ACTIVITY. J.MED.CHEM. V. 63 9464 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:509;
A:503;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
EDO A:504;
A:505;
A:507;
A:508;
A:506;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
NAG A:502;
 Invalid;
 none;
 submit data
221.208 C8 H15 N O6 CC(=O...
PQK A:501;
 Valid;
 none;
 ic50 = 6.3 uM
179.216 C10 H13 N O2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6ZVL 1.3 Å EC: 3.1.1.98 ARUK3000263 COMPLEX WITH NOTUM HOMO SAPIENS NOTUM INHIBITOR WNT SIGNALING PROTEIN
Ref.: 5-PHENYL-1,3,4-OXADIAZOL-2(3 H )-ONES ARE POTENT IN OF NOTUM CARBOXYLESTERASE ACTIVITY IDENTIFIED BY TH OPTIMIZATION OF A CRYSTALLOGRAPHIC FRAGMENT SCREENI J.MED.CHEM. V. 63 12942 2020
Members (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6TR7 ic50 = 37 uM HWH C12 H13 F N2 O CC(=O)NCCc....
2 6YUY ic50 = 6.7 uM PQH C7 H6 F3 N O2 Cc1c(cc([n....
3 6YXI ic50 = 14 uM PZ8 C13 H12 Cl N O2 Cc1cc(c(n1....
4 6YV0 ic50 = 18.6 uM PQT C11 H12 Cl N O2 c1ccc(c(c1....
5 6R8P ic50 = 33 uM JVB C14 H14 N2 O2 Cc1ccccc1O....
6 6TR6 ic50 = 94 uM ASE C12 H14 N2 O2 CC(=O)NCCc....
7 6YSK ic50 = 0.11 uM PJK C12 H11 Cl F3 N O2 c1cc(c(cc1....
8 6R8R ic50 = 0.085 uM JV8 C18 H16 N2 O2 Cc1ccccc1O....
9 6TR5 ic50 = 75 uM ML1 C13 H16 N2 O2 CC(=O)NCCc....
10 6TV4 Kd = 85 uM CFF C8 H10 N4 O2 Cn1cnc2c1C....
11 4UZL - MYZ C14 H26 O2 CCCC/C=CCC....
12 4UZ9 - GU4 YYJ n/a n/a
13 4UZ6 - GU4 YYJ n/a n/a
14 4UZQ - CYS HIS GLY VAL SER GLY SER CYS PAM n/a n/a
15 6YV2 ic50 = 48 uM PUE C11 H13 N O2 c1ccc(cc1)....
16 6R8Q ic50 = 0.12 uM JV5 C15 H14 N4 O2 Cc1ccccc1O....
17 6T2K - M9K C11 H9 Cl N2 O2 S2 c1nc2c(c(s....
18 6T2H - M9N C9 H11 Cl N2 O2 S2 Cc1c(c2c(s....
19 6ZVL ic50 = 18 nM QR2 C9 H4 Cl F3 N2 O2 c1cc(c(cc1....
20 6YUW ic50 = 12.7 uM PQZ C11 H15 N O2 Cc1cc(c(n1....
21 6ZUV ic50 = 11.5 uM B1J C9 H8 Cl N3 O c1cc(ccc1n....
22 4UYW Kd = 6.4 uM SGN UAP n/a n/a
23 6YV4 ic50 = 6.3 uM PQK C10 H13 N O2 Cc1cc(c(n1....
24 6TUZ Kd = 6.8 mM TEP C7 H8 N4 O2 CN1c2c([nH....
70% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6TR7 ic50 = 37 uM HWH C12 H13 F N2 O CC(=O)NCCc....
2 6YUY ic50 = 6.7 uM PQH C7 H6 F3 N O2 Cc1c(cc([n....
3 6YXI ic50 = 14 uM PZ8 C13 H12 Cl N O2 Cc1cc(c(n1....
4 6YV0 ic50 = 18.6 uM PQT C11 H12 Cl N O2 c1ccc(c(c1....
5 6R8P ic50 = 33 uM JVB C14 H14 N2 O2 Cc1ccccc1O....
6 6TR6 ic50 = 94 uM ASE C12 H14 N2 O2 CC(=O)NCCc....
7 6YSK ic50 = 0.11 uM PJK C12 H11 Cl F3 N O2 c1cc(c(cc1....
8 6R8R ic50 = 0.085 uM JV8 C18 H16 N2 O2 Cc1ccccc1O....
9 6TR5 ic50 = 75 uM ML1 C13 H16 N2 O2 CC(=O)NCCc....
10 6TV4 Kd = 85 uM CFF C8 H10 N4 O2 Cn1cnc2c1C....
11 4UZL - MYZ C14 H26 O2 CCCC/C=CCC....
12 4UZ9 - GU4 YYJ n/a n/a
13 4UZ6 - GU4 YYJ n/a n/a
14 4UZQ - CYS HIS GLY VAL SER GLY SER CYS PAM n/a n/a
15 6YV2 ic50 = 48 uM PUE C11 H13 N O2 c1ccc(cc1)....
16 6R8Q ic50 = 0.12 uM JV5 C15 H14 N4 O2 Cc1ccccc1O....
17 6T2K - M9K C11 H9 Cl N2 O2 S2 c1nc2c(c(s....
18 6T2H - M9N C9 H11 Cl N2 O2 S2 Cc1c(c2c(s....
19 6ZVL ic50 = 18 nM QR2 C9 H4 Cl F3 N2 O2 c1cc(c(cc1....
20 6YUW ic50 = 12.7 uM PQZ C11 H15 N O2 Cc1cc(c(n1....
21 6ZUV ic50 = 11.5 uM B1J C9 H8 Cl N3 O c1cc(ccc1n....
22 4UYW Kd = 6.4 uM SGN UAP n/a n/a
23 6YV4 ic50 = 6.3 uM PQK C10 H13 N O2 Cc1cc(c(n1....
24 6TUZ Kd = 6.8 mM TEP C7 H8 N4 O2 CN1c2c([nH....
50% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6TR7 ic50 = 37 uM HWH C12 H13 F N2 O CC(=O)NCCc....
2 6YUY ic50 = 6.7 uM PQH C7 H6 F3 N O2 Cc1c(cc([n....
3 6YXI ic50 = 14 uM PZ8 C13 H12 Cl N O2 Cc1cc(c(n1....
4 6YV0 ic50 = 18.6 uM PQT C11 H12 Cl N O2 c1ccc(c(c1....
5 6R8P ic50 = 33 uM JVB C14 H14 N2 O2 Cc1ccccc1O....
6 6TR6 ic50 = 94 uM ASE C12 H14 N2 O2 CC(=O)NCCc....
7 6YSK ic50 = 0.11 uM PJK C12 H11 Cl F3 N O2 c1cc(c(cc1....
8 6R8R ic50 = 0.085 uM JV8 C18 H16 N2 O2 Cc1ccccc1O....
9 6TR5 ic50 = 75 uM ML1 C13 H16 N2 O2 CC(=O)NCCc....
10 6TV4 Kd = 85 uM CFF C8 H10 N4 O2 Cn1cnc2c1C....
11 4UZL - MYZ C14 H26 O2 CCCC/C=CCC....
12 4UZ9 - GU4 YYJ n/a n/a
13 4UZ6 - GU4 YYJ n/a n/a
14 4UZQ - CYS HIS GLY VAL SER GLY SER CYS PAM n/a n/a
15 6YV2 ic50 = 48 uM PUE C11 H13 N O2 c1ccc(cc1)....
16 6R8Q ic50 = 0.12 uM JV5 C15 H14 N4 O2 Cc1ccccc1O....
17 6T2K - M9K C11 H9 Cl N2 O2 S2 c1nc2c(c(s....
18 6T2H - M9N C9 H11 Cl N2 O2 S2 Cc1c(c2c(s....
19 6ZVL ic50 = 18 nM QR2 C9 H4 Cl F3 N2 O2 c1cc(c(cc1....
20 6YUW ic50 = 12.7 uM PQZ C11 H15 N O2 Cc1cc(c(n1....
21 6ZUV ic50 = 11.5 uM B1J C9 H8 Cl N3 O c1cc(ccc1n....
22 4UYW Kd = 6.4 uM SGN UAP n/a n/a
23 6YV4 ic50 = 6.3 uM PQK C10 H13 N O2 Cc1cc(c(n1....
24 6TUZ Kd = 6.8 mM TEP C7 H8 N4 O2 CN1c2c([nH....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PQK; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PQK 1 1
2 PQZ 0.478261 0.769231
Similar Ligands (3D)
Ligand no: 1; Ligand: PQK; Similar ligands found: 798
No: Ligand Similarity coefficient
1 8WO 0.9638
2 GF4 0.9421
3 2A9 0.9404
4 OVM 0.9384
5 PFL 0.9358
6 3DM 0.9353
7 PQ0 0.9339
8 PD2 0.9330
9 QPR 0.9321
10 PRF 0.9320
11 TWO 0.9317
12 OW4 0.9313
13 NID 0.9306
14 6NT 0.9295
15 1F1 0.9292
16 DIE 0.9290
17 DQU 0.9284
18 DBH 0.9280
19 JXW 0.9276
20 GDL 0.9270
21 2ZM 0.9268
22 F31 0.9268
23 5OB 0.9267
24 JAW 0.9263
25 KYA 0.9262
26 JXZ 0.9261
27 PDC 0.9259
28 JDN 0.9258
29 ICO 0.9253
30 TTY 0.9248
31 4AA 0.9247
32 3NY 0.9245
33 0HO 0.9240
34 3M0 0.9239
35 0HN 0.9239
36 4MU 0.9233
37 6NI 0.9232
38 JXN 0.9229
39 URC 0.9229
40 3MB 0.9227
41 3HA 0.9227
42 9R5 0.9225
43 5XC 0.9222
44 NDG 0.9221
45 5NI 0.9221
46 DHB 0.9212
47 12T 0.9211
48 2HU 0.9209
49 M2K 0.9208
50 N2I 0.9208
51 3A9 0.9204
52 ARP 0.9203
53 APS 0.9203
54 CHB 0.9202
55 KJY 0.9201
56 HMU 0.9201
57 VOH 0.9195
58 INO 0.9194
59 2KA 0.9194
60 JB8 0.9190
61 DNF 0.9187
62 KIB 0.9186
63 PNZ 0.9185
64 5RN 0.9184
65 JBK 0.9179
66 GSY 0.9176
67 3F0 0.9175
68 2HO 0.9173
69 P9P 0.9173
70 NAG 0.9169
71 IHB 0.9167
72 TSS 0.9166
73 ANN 0.9163
74 M6N 0.9162
75 VNL 0.9162
76 4NC 0.9160
77 6VD 0.9160
78 FYU 0.9160
79 OW7 0.9157
80 8G0 0.9157
81 0W1 0.9157
82 9TW 0.9156
83 LDR 0.9155
84 BDP 0.9153
85 MUA 0.9153
86 FOT 0.9153
87 75K 0.9151
88 FE DB1 0.9148
89 MYJ 0.9147
90 8NX 0.9147
91 9AP 0.9147
92 C2U 0.9142
93 E5X 0.9140
94 4RU 0.9139
95 8TX 0.9138
96 UNC 0.9136
97 8ZE 0.9133
98 BZ2 0.9133
99 4JQ 0.9130
100 SYA 0.9130
101 DNA 0.9127
102 7VS 0.9124
103 92P 0.9124
104 15N 0.9123
105 4TU 0.9120
106 8H8 0.9120
107 DIU 0.9119
108 IJZ 0.9116
109 92K 0.9114
110 M0W 0.9113
111 GJP 0.9113
112 KT7 0.9112
113 HHA 0.9111
114 091 0.9108
115 B55 0.9106
116 HJP 0.9103
117 XQ0 0.9102
118 XAZ 0.9101
119 PEY 0.9099
120 0JD 0.9099
121 GDE 0.9097
122 AZ8 0.9095
123 JU2 0.9095
124 E1T 0.9094
125 9FL 0.9094
126 L46 0.9091
127 15L 0.9090
128 DIN 0.9088
129 KIA 0.9087
130 5JQ 0.9086
131 OTD 0.9085
132 GYE 0.9083
133 5CU 0.9083
134 C2Y 0.9083
135 SRO 0.9081
136 W81 0.9080
137 QSH 0.9078
138 4WL 0.9077
139 HQJ 0.9076
140 INE 0.9074
141 HA5 0.9074
142 GZL 0.9074
143 Q6T 0.9071
144 GXY 0.9070
145 OVP 0.9070
146 MR1 0.9070
147 5WY 0.9069
148 B57 0.9064
149 HMH 0.9064
150 Z5P 0.9062
151 BPU 0.9062
152 7ZE 0.9061
153 ABI 0.9059
154 94W 0.9059
155 D07 0.9057
156 0LH 0.9057
157 3MG 0.9055
158 M1H 0.9055
159 R8S 0.9054
160 QSB 0.9054
161 H5B 0.9053
162 E7Z 0.9053
163 LT2 0.9049
164 A7W 0.9049
165 NSP 0.9046
166 AKH 0.9045
167 1U6 0.9045
168 4XS 0.9043
169 AJV 0.9042
170 XX2 0.9040
171 FUD 0.9038
172 8XQ 0.9037
173 DOB 0.9037
174 3GQ 0.9037
175 JLZ 0.9036
176 6KT 0.9034
177 2ZQ 0.9034
178 RM1 0.9033
179 EA1 0.9031
180 PYQ 0.9031
181 0F9 0.9031
182 97T 0.9030
183 9ZE 0.9030
184 BM3 0.9029
185 MB1 0.9028
186 SYV 0.9028
187 NOJ 0.9027
188 PH2 0.9026
189 BPN 0.9024
190 1HN 0.9021
191 GHM 0.9021
192 OVV 0.9021
193 DRL 0.9020
194 M0Q 0.9017
195 4ME 0.9017
196 GAB 0.9015
197 SLS 0.9014
198 FA0 0.9014
199 4ZA 0.9012
200 ORO 0.9010
201 4KL 0.9010
202 FGZ 0.9009
203 2EC 0.9008
204 4P5 0.9008
205 ET2 0.9005
206 M1E 0.9005
207 2AK 0.9003
208 463 0.9003
209 TYL 0.9002
210 FDB 0.9001
211 UAN 0.8999
212 N3W 0.8999
213 J9Q 0.8997
214 TGX 0.8996
215 IPB 0.8996
216 LQ2 0.8996
217 GT0 0.8995
218 KW8 0.8994
219 23A 0.8993
220 344 0.8991
221 CN0 0.8991
222 XDE 0.8991
223 0P6 0.8990
224 RAT 0.8989
225 NDM 0.8987
226 2FY 0.8985
227 9LI 0.8984
228 0GZ 0.8983
229 4BY 0.8983
230 DMD 0.8981
231 5GU 0.8981
232 BHA 0.8978
233 OXC 0.8977
234 M4E 0.8975
235 2O6 0.8975
236 9FE 0.8975
237 44V 0.8974
238 5JL 0.8974
239 ES2 0.8974
240 3NT 0.8971
241 SNO 0.8970
242 X09 0.8969
243 HLD 0.8968
244 MQN 0.8968
245 M5N 0.8967
246 RNO 0.8966
247 ZB1 0.8965
248 ODO 0.8965
249 DFB 0.8964
250 7HQ 0.8964
251 4YO 0.8962
252 AY4 0.8961
253 RD4 0.8959
254 BZ3 0.8957
255 GJS 0.8956
256 KKN 0.8955
257 5RO 0.8955
258 X8D 0.8955
259 M1Q 0.8954
260 7NI 0.8954
261 B62 0.8952
262 HNQ 0.8952
263 4M0 0.8951
264 EPR 0.8950
265 L5V 0.8950
266 IAC 0.8950
267 G3F 0.8946
268 6BL 0.8946
269 KJU 0.8945
270 X0W 0.8945
271 0TU 0.8944
272 GLC 0.8943
273 I3A 0.8943
274 TH7 0.8943
275 PRZ 0.8943
276 G5V 0.8942
277 68A 0.8942
278 PAB 0.8942
279 5XB 0.8941
280 36R 0.8940
281 PHB 0.8939
282 VGD 0.8938
283 6FZ 0.8938
284 3BU 0.8936
285 HHR 0.8936
286 GCU 0.8935
287 AZ9 0.8935
288 V55 0.8933
289 IFL 0.8933
290 8NB 0.8933
291 BGC 0.8933
292 ESX 0.8932
293 3HB 0.8931
294 FIX 0.8931
295 MAJ 0.8931
296 IV2 0.8930
297 SKA 0.8929
298 K5W 0.8929
299 ONR 0.8928
300 FLC 0.8927
301 FHB 0.8926
302 FDR 0.8926
303 259 0.8925
304 ROI 0.8924
305 27B 0.8923
306 SKM 0.8923
307 AHR 0.8922
308 A29 0.8922
309 9CA 0.8920
310 HLZ 0.8919
311 O2A 0.8919
312 R20 0.8918
313 5QY 0.8918
314 3ZB 0.8917
315 4A3 0.8917
316 1P8 0.8916
317 NPO 0.8916
318 4AV 0.8914
319 SJ5 0.8914
320 F0J 0.8913
321 XIY 0.8913
322 ICT 0.8913
323 3HM 0.8912
324 GTR 0.8911
325 ASC 0.8911
326 QWN 0.8909
327 TXW 0.8908
328 2LY 0.8907
329 15E 0.8906
330 MZM 0.8904
331 7WR 0.8904
332 UFO 0.8903
333 DHK 0.8902
334 7MU 0.8901
335 BRT 0.8901
336 GNM 0.8901
337 4NM 0.8900
338 4A5 0.8900
339 AZA 0.8900
340 APZ 0.8900
341 NOY 0.8900
342 AW5 0.8899
343 AMH 0.8899
344 NSG 0.8897
345 53C 0.8897
346 209 0.8897
347 CLW 0.8896
348 B5D 0.8896
349 LNR 0.8895
350 TEP 0.8895
351 39O 0.8894
352 S0E 0.8892
353 KP6 0.8892
354 1KP 0.8890
355 AA 0.8890
356 34D 0.8889
357 1IT 0.8888
358 ST1 0.8887
359 6ME 0.8886
360 23J 0.8885
361 5NS 0.8885
362 5HN 0.8885
363 B53 0.8884
364 CWJ 0.8884
365 12B 0.8883
366 NNO 0.8883
367 AC6 0.8883
368 8S0 0.8882
369 RB5 0.8881
370 680 0.8880
371 XXP 0.8880
372 QX4 0.8879
373 LZ2 0.8879
374 37T 0.8879
375 6RQ 0.8879
376 DOR 0.8878
377 CKA 0.8877
378 KFH 0.8876
379 AIN 0.8876
380 QWW 0.8876
381 VK3 0.8875
382 NQ 0.8875
383 8XL 0.8875
384 1X7 0.8875
385 CH9 0.8874
386 QXW 0.8873
387 JYB 0.8872
388 QX2 0.8871
389 P3K 0.8871
390 1AL 0.8871
391 ESI 0.8871
392 5NU 0.8870
393 DPZ 0.8870
394 ST3 0.8870
395 Z13 0.8868
396 4HC 0.8867
397 ICB 0.8867
398 8HC 0.8866
399 DNC 0.8865
400 86J 0.8865
401 BZJ 0.8864
402 L14 0.8864
403 32X 0.8862
404 5VM 0.8861
405 LYL 0.8860
406 ANF 0.8860
407 THA 0.8858
408 F81 0.8858
409 CLZ 0.8857
410 A2F 0.8857
411 6AP 0.8857
412 NVU 0.8857
413 4SX 0.8854
414 AJ2 0.8853
415 DHQ 0.8852
416 4JT 0.8848
417 30G 0.8848
418 LLH 0.8846
419 HX3 0.8845
420 JXK 0.8845
421 3AB 0.8844
422 CSN 0.8843
423 06B 0.8842
424 3PF 0.8841
425 GTQ 0.8841
426 AZG 0.8841
427 D1X 0.8840
428 KGK 0.8840
429 20J 0.8840
430 LZM 0.8839
431 5LA 0.8838
432 GAL 0.8838
433 AOS 0.8838
434 MHK 0.8838
435 ST2 0.8836
436 L7T 0.8836
437 N4E 0.8836
438 J9W 0.8835
439 MEW 0.8835
440 DRG 0.8834
441 Z82 0.8834
442 AQO 0.8833
443 1XM 0.8833
444 L99 0.8833
445 QBK 0.8832
446 2HQ 0.8831
447 XX3 0.8831
448 FRU 0.8831
449 GCS 0.8830
450 FLV 0.8830
451 5GT 0.8830
452 XHP 0.8830
453 OTW 0.8829
454 PFB 0.8828
455 9DG 0.8827
456 WCE 0.8827
457 8GC 0.8827
458 7VJ 0.8825
459 4BL 0.8825
460 2BG 0.8823
461 44W 0.8823
462 6TZ 0.8823
463 TTL 0.8821
464 2K8 0.8821
465 XAN 0.8820
466 ASO 0.8820
467 J6W 0.8820
468 42C 0.8819
469 2FQ 0.8818
470 1M2 0.8818
471 3FH 0.8817
472 4NB 0.8817
473 4BZ 0.8816
474 DA4 0.8816
475 CFF 0.8816
476 6GU 0.8816
477 ADA 0.8816
478 MAG 0.8816
479 6M9 0.8814
480 JP2 0.8813
481 4I8 0.8813
482 JYT 0.8812
483 PE0 0.8812
484 LPK 0.8811
485 GCB 0.8810
486 PXL 0.8809
487 NGT 0.8809
488 3BZ 0.8808
489 3Z8 0.8808
490 KTW 0.8808
491 BNT 0.8808
492 D48 0.8807
493 M5K 0.8807
494 DEW 0.8807
495 GUN 0.8805
496 NIZ 0.8804
497 HXX 0.8804
498 MNM 0.8803
499 HQD 0.8802
500 SXS 0.8800
501 5NE 0.8799
502 R9Y 0.8799
503 K3Q 0.8798
504 DBJ 0.8798
505 WOO 0.8798
506 SWA 0.8797
507 PJW 0.8797
508 Q88 0.8797
509 42A 0.8795
510 DJN 0.8795
511 OXZ 0.8794
512 TIY 0.8794
513 4MA 0.8792
514 EJZ 0.8791
515 GO2 0.8791
516 S7J 0.8790
517 ZYR 0.8789
518 EVA 0.8789
519 F9Y 0.8788
520 717 0.8787
521 54G 0.8787
522 YH7 0.8787
523 NMJ 0.8786
524 4CS 0.8786
525 9KH 0.8784
526 7FF 0.8784
527 SE2 0.8781
528 0FK 0.8778
529 293 0.8778
530 ESP 0.8778
531 MQB 0.8777
532 0FN 0.8777
533 5QX 0.8777
534 DGJ 0.8777
535 BOA 0.8775
536 1A7 0.8775
537 NGA 0.8773
538 G12 0.8773
539 RXA 0.8772
540 I3E 0.8771
541 0XT 0.8771
542 LGC 0.8771
543 N1E 0.8771
544 ALL 0.8770
545 KJ5 0.8770
546 5WU 0.8770
547 BEA 0.8770
548 LOG 0.8769
549 NLA 0.8769
550 5B1 0.8768
551 IFM 0.8764
552 N8Y 0.8763
553 5M0 0.8763
554 EYK 0.8762
555 JA8 0.8762
556 MJ2 0.8761
557 7B3 0.8761
558 E3D 0.8760
559 PZM 0.8759
560 FBU 0.8759
561 5WX 0.8759
562 2F6 0.8758
563 G2F 0.8757
564 3DO 0.8754
565 36E 0.8754
566 GNL 0.8753
567 LKA 0.8753
568 AKG 0.8752
569 COU 0.8752
570 3OC 0.8752
571 141 0.8751
572 EN1 0.8751
573 2H5 0.8751
574 SN4 0.8751
575 NCD 0.8750
576 36M 0.8749
577 SNG 0.8749
578 HA7 0.8746
579 BA5 0.8745
580 7ME 0.8745
581 SHG 0.8744
582 8GK 0.8744
583 UNJ 0.8744
584 1P7 0.8744
585 II6 0.8744
586 5VL 0.8743
587 KWH 0.8743
588 G3E 0.8743
589 CFP 0.8742
590 E7R 0.8742
591 CIT 0.8742
592 CWS 0.8741
593 4Z4 0.8739
594 1Y6 0.8738
595 GLA 0.8738
596 XEN 0.8738
597 TBS 0.8738
598 HC4 0.8737
599 CFA 0.8736
600 2HC 0.8736
601 M1A 0.8735
602 549 0.8735
603 AZM 0.8735
604 IQ5 0.8731
605 REL 0.8729
606 HBD 0.8728
607 TAG 0.8728
608 4FS 0.8728
609 261 0.8727
610 OMD 0.8727
611 GC2 0.8726
612 3XR 0.8725
613 03V 0.8725
614 X05 0.8723
615 5MK 0.8722
616 FBF 0.8722
617 OGA 0.8722
618 LR5 0.8721
619 K17 0.8721
620 XM5 0.8721
621 BHQ 0.8721
622 H42 0.8720
623 TSR 0.8720
624 SW7 0.8719
625 8CM 0.8717
626 NGW 0.8716
627 NCT 0.8714
628 F1A 0.8714
629 14O 0.8713
630 BQ2 0.8713
631 GLU 0.8713
632 5OF 0.8712
633 BCP 0.8712
634 PBA 0.8710
635 9TZ 0.8710
636 NGO 0.8710
637 A2G 0.8709
638 39U 0.8708
639 5MB 0.8707
640 BZX 0.8706
641 45L 0.8705
642 SSC 0.8705
643 363 0.8704
644 GOJ 0.8704
645 LDP 0.8704
646 7B4 0.8703
647 6DP 0.8702
648 AN3 0.8699
649 YSO 0.8697
650 MT8 0.8697
651 TOF 0.8695
652 FBW 0.8695
653 IOS 0.8692
654 EUE 0.8691
655 QMS 0.8691
656 DHY 0.8689
657 FP1 0.8688
658 ISZ 0.8687
659 XYP 0.8687
660 428 0.8686
661 BMA 0.8686
662 1QP 0.8686
663 M5H 0.8685
664 M4S 0.8685
665 1GN 0.8684
666 93K 0.8684
667 6M4 0.8683
668 5VJ 0.8683
669 IGA 0.8683
670 Q24 0.8680
671 XXG 0.8677
672 SKF 0.8673
673 P9E 0.8672
674 64C 0.8671
675 12Q 0.8671
676 174 0.8671
677 2CG 0.8670
678 X0U 0.8668
679 YTX 0.8668
680 NFM 0.8667
681 XQK 0.8666
682 67X 0.8666
683 226 0.8663
684 4JC 0.8662
685 2FG 0.8661
686 EV2 0.8661
687 4NZ 0.8660
688 M6Z 0.8659
689 HKD 0.8658
690 CFI 0.8658
691 TIU 0.8657
692 E4P 0.8655
693 7MX 0.8653
694 SRT 0.8653
695 4V2 0.8652
696 FXH 0.8652
697 MBG 0.8651
698 KBG 0.8650
699 40F 0.8649
700 JG8 0.8649
701 3R6 0.8648
702 9UL 0.8648
703 MWP 0.8646
704 BGU 0.8646
705 2D3 0.8646
706 JF2 0.8646
707 ADZ 0.8645
708 HDH 0.8645
709 RZH 0.8645
710 X0V 0.8640
711 14J 0.8640
712 J01 0.8639
713 R1P 0.8638
714 MAN 0.8638
715 149 0.8636
716 MNP 0.8636
717 X6X 0.8635
718 3AE 0.8634
719 G4D 0.8634
720 F4E 0.8633
721 52C 0.8632
722 E1K 0.8630
723 3WA 0.8629
724 YRL 0.8628
725 F12 0.8628
726 HBA 0.8628
727 FQI 0.8626
728 6X9 0.8626
729 K32 0.8625
730 9PY 0.8625
731 DMJ 0.8624
732 RH1 0.8623
733 UEG 0.8622
734 GIV 0.8622
735 PA1 0.8621
736 MO8 0.8621
737 JND 0.8621
738 6E8 0.8618
739 E7S 0.8618
740 8W9 0.8617
741 7A2 0.8616
742 2AL 0.8613
743 AEF 0.8613
744 KLK 0.8612
745 8WT 0.8612
746 3XX 0.8610
747 RHU 0.8609
748 GRE 0.8608
749 EXD 0.8604
750 2BX 0.8601
751 9MG 0.8599
752 P72 0.8599
753 JTA 0.8597
754 M3Q 0.8596
755 PZI 0.8591
756 GXL 0.8591
757 OTR 0.8590
758 582 0.8590
759 EKZ 0.8590
760 PBZ 0.8590
761 SOR 0.8585
762 OQC 0.8584
763 173 0.8584
764 GAF 0.8584
765 SVD 0.8580
766 U7E 0.8579
767 4FH 0.8579
768 K44 0.8579
769 MZB 0.8577
770 28N 0.8576
771 SAN 0.8575
772 GNV 0.8573
773 6M1 0.8569
774 HBO 0.8568
775 SAL 0.8568
776 MQG 0.8562
777 AFR 0.8562
778 4VP 0.8560
779 H4E 0.8558
780 SHA 0.8555
781 GOG 0.8554
782 GCO 0.8554
783 PHU 0.8553
784 BE2 0.8552
785 NTZ 0.8552
786 PKU 0.8551
787 2JK 0.8551
788 MIG 0.8548
789 7MW 0.8547
790 XUL 0.8542
791 EYV 0.8540
792 BDF 0.8531
793 5ZZ 0.8531
794 6F0 0.8527
795 SOE 0.8525
796 5FN 0.8525
797 ALX 0.8520
798 FCR 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6ZVL; Ligand: QR2; 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: 6zvl.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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