Receptor
PDB id Resolution Class Description Source Keywords
6YV2 2.1 Å EC: 3.1.1.98 STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRRO CARBOXYLIC ACID FRAGMENT 598 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:504;
A:505;
A:503;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
NAG A:501;
 Invalid;
 none;
 submit data
221.208 C8 H15 N O6 CC(=O...
EDO A:507;
A:508;
A:506;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
PUE A:502;
 Valid;
 none;
 ic50 = 48 uM
191.226 C11 H13 N O2 c1ccc...
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: PUE; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 PUE 1 1
2 PQT 0.462963 0.863636
3 PJK 0.457627 0.791667
Similar Ligands (3D)
Ligand no: 1; Ligand: PUE; Similar ligands found: 715
No: Ligand Similarity coefficient
1 G14 0.9849
2 ZZA 0.9805
3 ODK 0.9794
4 3VQ 0.9778
5 6MW 0.9734
6 KLE 0.9707
7 JMG 0.9706
8 7O4 0.9678
9 D2G 0.9641
10 78Y 0.9625
11 2D2 0.9557
12 LEL 0.9536
13 0NX 0.9532
14 0LO 0.9526
15 FCD 0.9525
16 NK5 0.9522
17 JCZ 0.9520
18 2FX 0.9515
19 9FH 0.9509
20 LZ5 0.9498
21 363 0.9498
22 XI7 0.9495
23 GO2 0.9484
24 AVA 0.9482
25 5TZ 0.9482
26 VM1 0.9482
27 D3G 0.9476
28 RA7 0.9468
29 4AU 0.9466
30 RKV 0.9462
31 795 0.9455
32 492 0.9454
33 M4N 0.9447
34 5H6 0.9441
35 K48 0.9428
36 L1T 0.9414
37 6C4 0.9412
38 0UL 0.9407
39 A9B 0.9389
40 LL1 0.9378
41 0K7 0.9378
42 YE6 0.9366
43 MD6 0.9366
44 LFQ 0.9353
45 B1J 0.9349
46 IWT 0.9348
47 5B2 0.9346
48 TMG 0.9345
49 BP7 0.9343
50 BVA 0.9337
51 X48 0.9328
52 BVS 0.9318
53 D9Z 0.9316
54 6FB 0.9316
55 L03 0.9315
56 0SY 0.9313
57 A5H 0.9304
58 TCR 0.9303
59 BZJ 0.9303
60 6KT 0.9298
61 PPY 0.9295
62 YZM 0.9288
63 5E5 0.9286
64 X6W 0.9272
65 QIV 0.9272
66 PIQ 0.9272
67 Y3L 0.9268
68 4FF 0.9268
69 6N4 0.9268
70 P93 0.9265
71 E3X 0.9264
72 D1G 0.9258
73 Q4G 0.9258
74 5C1 0.9252
75 8CC 0.9251
76 XDK 0.9250
77 AUV 0.9250
78 5F8 0.9247
79 11X 0.9246
80 FZM 0.9246
81 92G 0.9246
82 8D6 0.9243
83 IQQ 0.9242
84 A6W 0.9238
85 5FL 0.9230
86 ZRK 0.9229
87 XCG 0.9226
88 0JD 0.9226
89 L22 0.9222
90 1XS 0.9220
91 N4E 0.9216
92 5GV 0.9211
93 EYV 0.9210
94 GVY 0.9208
95 HX4 0.9208
96 27K 0.9208
97 FHV 0.9206
98 3XH 0.9205
99 7VP 0.9204
100 JAH 0.9203
101 5F5 0.9201
102 0ON 0.9201
103 6C5 0.9198
104 C4E 0.9197
105 BIK 0.9196
106 PHE 0.9193
107 1A5 0.9193
108 EV2 0.9189
109 37E 0.9189
110 EWG 0.9186
111 DHC 0.9186
112 B21 0.9185
113 F4K 0.9183
114 49P 0.9180
115 SB7 0.9179
116 OJD 0.9179
117 BZQ 0.9177
118 FMQ 0.9174
119 EYJ 0.9169
120 DUR 0.9166
121 C53 0.9165
122 3R4 0.9165
123 HRM 0.9165
124 L5D 0.9162
125 833 0.9161
126 DXK 0.9156
127 M83 0.9156
128 LR8 0.9154
129 QME 0.9152
130 3VW 0.9152
131 PRL 0.9147
132 AZM 0.9147
133 SSY 0.9146
134 I2E 0.9144
135 4BX 0.9143
136 28A 0.9142
137 KW7 0.9142
138 P7V 0.9141
139 TJM 0.9141
140 6SD 0.9140
141 J9N 0.9139
142 EUE 0.9138
143 3VS 0.9133
144 MJW 0.9132
145 1PS 0.9131
146 3N1 0.9130
147 5AD 0.9128
148 2JX 0.9121
149 DAH 0.9120
150 0OL 0.9120
151 60L 0.9117
152 KYN 0.9116
153 3QO 0.9115
154 A5E 0.9115
155 6FG 0.9113
156 1A7 0.9111
157 4LV 0.9106
158 9UL 0.9106
159 GT4 0.9106
160 TRP 0.9104
161 ENO 0.9104
162 AOT 0.9103
163 4Z3 0.9101
164 SLS 0.9100
165 PQM 0.9099
166 4G2 0.9097
167 R8Y 0.9096
168 6ZX 0.9094
169 P4L 0.9092
170 A98 0.9091
171 TYR 0.9090
172 CPZ 0.9086
173 FC2 0.9085
174 GOE 0.9084
175 SWX 0.9083
176 X0U 0.9082
177 3GV 0.9081
178 IOS 0.9081
179 AN3 0.9080
180 4LW 0.9079
181 KF5 0.9078
182 CSN 0.9077
183 2GQ 0.9076
184 TT4 0.9074
185 L15 0.9072
186 5TY 0.9072
187 2O8 0.9072
188 N1E 0.9071
189 E1T 0.9070
190 94W 0.9070
191 4I8 0.9069
192 M5H 0.9066
193 5TO 0.9065
194 VFG 0.9064
195 R20 0.9064
196 U7E 0.9064
197 S1D 0.9062
198 1ER 0.9062
199 SKF 0.9062
200 TIA 0.9060
201 M5E 0.9059
202 4NP 0.9056
203 3QV 0.9056
204 VGS 0.9054
205 VC3 0.9054
206 MMJ 0.9048
207 4V2 0.9047
208 ALE 0.9045
209 ATX 0.9044
210 7L4 0.9043
211 YOF 0.9041
212 LR2 0.9040
213 1SF 0.9040
214 MSR 0.9038
215 L2K 0.9036
216 68B 0.9035
217 V1T 0.9033
218 EN1 0.9031
219 NPI 0.9031
220 ZHA 0.9031
221 OQC 0.9030
222 BPY 0.9029
223 M78 0.9029
224 4HB 0.9026
225 LVP 0.9025
226 II4 0.9025
227 SSC 0.9024
228 CC5 0.9021
229 4TB 0.9021
230 4BL 0.9019
231 OA1 0.9017
232 36Y 0.9015
233 HQJ 0.9015
234 KMY 0.9015
235 80G 0.9014
236 VBC 0.9013
237 F40 0.9011
238 6C8 0.9011
239 S0A 0.9007
240 9ZE 0.9007
241 KLS 0.9007
242 SX2 0.9006
243 P9E 0.9006
244 2PK 0.9004
245 7KE 0.9004
246 6J5 0.9003
247 K4V 0.9000
248 GF4 0.9000
249 E79 0.8999
250 EQW 0.8999
251 9BF 0.8998
252 9CE 0.8998
253 6L6 0.8998
254 52F 0.8996
255 Q04 0.8995
256 1F1 0.8991
257 AJ1 0.8991
258 JP2 0.8990
259 9JT 0.8988
260 J38 0.8987
261 22F 0.8986
262 S7S 0.8986
263 LVD 0.8985
264 UN3 0.8983
265 HJ7 0.8983
266 A7Q 0.8983
267 F18 0.8982
268 3VX 0.8981
269 RSV 0.8980
270 HL4 0.8979
271 5O6 0.8979
272 4BY 0.8979
273 F4E 0.8979
274 N2M 0.8978
275 344 0.8978
276 KW8 0.8978
277 DRG 0.8976
278 D25 0.8975
279 A73 0.8974
280 VFM 0.8972
281 7MW 0.8972
282 7UC 0.8970
283 SQV 0.8970
284 3C5 0.8970
285 LTN 0.8970
286 ZEC 0.8969
287 4XF 0.8968
288 7EH 0.8966
289 LJ3 0.8965
290 HNK 0.8964
291 P80 0.8963
292 S7A 0.8962
293 5LD 0.8961
294 ESX 0.8960
295 5VU 0.8958
296 EYY 0.8958
297 A7H 0.8958
298 ISC 0.8958
299 TOH 0.8958
300 1HR 0.8957
301 2PV 0.8957
302 7FU 0.8957
303 2J1 0.8956
304 3D8 0.8956
305 KCH 0.8954
306 LGT 0.8953
307 2LW 0.8953
308 0DF 0.8953
309 9NB 0.8952
310 428 0.8952
311 9R5 0.8951
312 JOV 0.8951
313 HNT 0.8951
314 KWH 0.8951
315 47V 0.8950
316 5GT 0.8950
317 61M 0.8949
318 15N 0.8947
319 2QC 0.8946
320 E0O 0.8946
321 S0D 0.8945
322 4FP 0.8944
323 8YH 0.8944
324 DTY 0.8944
325 AOY 0.8942
326 56D 0.8942
327 2P3 0.8942
328 N0Z 0.8938
329 HX8 0.8938
330 YE7 0.8936
331 EQA 0.8936
332 ITE 0.8936
333 K7H 0.8935
334 6P3 0.8935
335 1FE 0.8933
336 2UZ 0.8933
337 DBE 0.8932
338 BZE 0.8931
339 SNU 0.8930
340 1V1 0.8930
341 NKI 0.8930
342 BNL 0.8929
343 RVE 0.8928
344 N2I 0.8928
345 S8G 0.8928
346 PRO GLY 0.8927
347 D8Q 0.8926
348 JBZ 0.8925
349 FQX 0.8923
350 20D 0.8923
351 BGU 0.8922
352 0OK 0.8920
353 Q9T 0.8920
354 8NB 0.8920
355 GZ2 0.8917
356 XRS 0.8915
357 HXY 0.8915
358 YIP 0.8914
359 1KN 0.8914
360 AHN 0.8913
361 S0F 0.8912
362 DXG 0.8911
363 IAC 0.8910
364 1L5 0.8909
365 N91 0.8909
366 3ZB 0.8908
367 EVF 0.8908
368 JWS 0.8908
369 E1P 0.8908
370 JF5 0.8907
371 4NS 0.8907
372 CNI 0.8905
373 HBI 0.8905
374 THA 0.8904
375 S60 0.8903
376 TZF 0.8901
377 HA5 0.8900
378 GO8 0.8900
379 PH3 0.8898
380 5DL 0.8897
381 HHS 0.8897
382 ZRL 0.8896
383 AMR 0.8896
384 YIE 0.8895
385 YZ9 0.8894
386 DFL 0.8893
387 FHC 0.8892
388 IOP 0.8889
389 CBE 0.8888
390 TXW 0.8888
391 848 0.8888
392 ANF 0.8887
393 E7S 0.8886
394 KDV 0.8885
395 272 0.8884
396 JGB 0.8883
397 HC4 0.8882
398 8ZE 0.8880
399 AJG 0.8877
400 M6H 0.8877
401 BSA 0.8876
402 RD4 0.8875
403 5V7 0.8873
404 0F9 0.8873
405 6TZ 0.8873
406 DY8 0.8873
407 12T 0.8871
408 IQZ 0.8868
409 X2M 0.8867
410 5WN 0.8866
411 H75 0.8865
412 4MB 0.8865
413 S0E 0.8864
414 A3M 0.8864
415 25F 0.8863
416 ANC 0.8863
417 HBO 0.8862
418 RGK 0.8862
419 GHQ 0.8859
420 PBN 0.8859
421 TCA 0.8857
422 CWJ 0.8856
423 BQ2 0.8856
424 JA5 0.8855
425 AAN 0.8854
426 L5V 0.8854
427 SJK 0.8854
428 NAL 0.8852
429 613 0.8852
430 4EU 0.8852
431 I3E 0.8849
432 SOJ 0.8848
433 Z70 0.8848
434 MXD 0.8847
435 SYE 0.8844
436 HNL 0.8843
437 WCU 0.8842
438 FER 0.8842
439 NFZ 0.8842
440 9CA 0.8842
441 0HN 0.8841
442 0QA 0.8840
443 NIY 0.8840
444 549 0.8840
445 M3E 0.8838
446 CKA 0.8838
447 AVX 0.8838
448 2UD 0.8837
449 JAW 0.8837
450 HFA 0.8834
451 NAG 0.8832
452 OOG 0.8831
453 GNW 0.8831
454 3CX 0.8825
455 6QF 0.8825
456 5PV 0.8824
457 U13 0.8823
458 NDD 0.8822
459 2K8 0.8820
460 1HN 0.8820
461 AA 0.8818
462 UNJ 0.8817
463 9FL 0.8817
464 ESP 0.8816
465 TYL 0.8815
466 N9M 0.8815
467 1IT 0.8814
468 5TT 0.8814
469 JSX 0.8813
470 HIS 0.8813
471 1AJ 0.8812
472 MPV 0.8810
473 CK2 0.8809
474 2QU 0.8809
475 GAE 0.8809
476 P2L 0.8807
477 F63 0.8806
478 S62 0.8806
479 IDZ 0.8806
480 LQ2 0.8805
481 FT6 0.8804
482 TPM 0.8802
483 XIZ 0.8800
484 657 0.8799
485 5SJ 0.8798
486 BCU 0.8797
487 MAJ 0.8797
488 KPV 0.8797
489 FDR 0.8797
490 1ZC 0.8793
491 8HC 0.8792
492 36E 0.8792
493 MZM 0.8791
494 FYR 0.8791
495 V2Z 0.8790
496 SNO 0.8790
497 3H2 0.8782
498 QR2 0.8782
499 NNH 0.8781
500 6NT 0.8780
501 ONR 0.8780
502 QBP 0.8779
503 J6W 0.8778
504 8XL 0.8778
505 H4B 0.8777
506 WV7 0.8776
507 2ZM 0.8776
508 S8P 0.8776
509 0FK 0.8775
510 Y4L 0.8775
511 0HO 0.8774
512 GJP 0.8773
513 T2D 0.8773
514 5LA 0.8772
515 C0H 0.8771
516 OLU 0.8771
517 5XC 0.8771
518 PNP 0.8770
519 JB8 0.8770
520 FF2 0.8770
521 3F4 0.8770
522 FZ0 0.8769
523 A51 0.8769
524 MKN 0.8769
525 B3U 0.8769
526 A7N 0.8767
527 N9J 0.8764
528 6DQ 0.8763
529 JDN 0.8762
530 4RU 0.8761
531 TZP 0.8758
532 SZ5 0.8758
533 14W 0.8757
534 VUP 0.8756
535 0BP 0.8755
536 TID 0.8755
537 4GU 0.8753
538 MUX 0.8752
539 AES 0.8751
540 OW7 0.8750
541 2F6 0.8749
542 BZ2 0.8749
543 WLH 0.8749
544 BBY 0.8748
545 C82 0.8748
546 AH9 0.8748
547 P81 0.8747
548 2JK 0.8745
549 BIO 0.8744
550 6NI 0.8744
551 HL6 0.8742
552 3NY 0.8742
553 HAR 0.8740
554 IPO 0.8738
555 JF2 0.8737
556 ZYQ 0.8737
557 4NB 0.8735
558 BL0 0.8735
559 TYC 0.8733
560 A29 0.8731
561 68A 0.8730
562 MR6 0.8730
563 1VK 0.8728
564 GCO 0.8727
565 PJW 0.8725
566 5WK 0.8722
567 LIG 0.8721
568 VFJ 0.8720
569 39Z 0.8719
570 NPX 0.8719
571 7QD 0.8719
572 5SP 0.8719
573 DTR 0.8719
574 7AP 0.8718
575 1Z6 0.8718
576 IS2 0.8716
577 ICB 0.8716
578 PA5 0.8716
579 ZSP 0.8715
580 TYE 0.8714
581 4BF 0.8713
582 RQD 0.8713
583 HLP 0.8707
584 ERZ 0.8707
585 IYR 0.8707
586 RNO 0.8706
587 HSA 0.8705
588 CTE 0.8705
589 RDV 0.8704
590 ESI 0.8704
591 WA1 0.8703
592 PD2 0.8703
593 ZEA 0.8699
594 27B 0.8699
595 PMP 0.8697
596 B41 0.8697
597 DEW 0.8697
598 X11 0.8697
599 8V8 0.8696
600 JGY 0.8694
601 CK1 0.8693
602 M1Z 0.8693
603 PH2 0.8692
604 0FR 0.8692
605 0F3 0.8692
606 9KZ 0.8692
607 4MP 0.8690
608 ENW 0.8690
609 3A9 0.8689
610 1OT 0.8688
611 6FR 0.8686
612 HH6 0.8686
613 5S9 0.8685
614 RBV 0.8685
615 KTW 0.8684
616 GNV 0.8684
617 PO6 0.8683
618 2HU 0.8683
619 30G 0.8683
620 4FE 0.8682
621 R2P 0.8681
622 ZIP 0.8680
623 NPS 0.8680
624 JTA 0.8678
625 CHQ 0.8678
626 JPQ 0.8678
627 G30 0.8673
628 PMV 0.8672
629 EAE 0.8672
630 5NI 0.8668
631 MS0 0.8668
632 GRQ 0.8666
633 LO1 0.8666
634 HHI 0.8662
635 6Q3 0.8661
636 9FE 0.8661
637 KLV 0.8660
638 6C9 0.8654
639 S45 0.8653
640 7ZO 0.8651
641 397 0.8651
642 92P 0.8649
643 4JQ 0.8649
644 STV 0.8647
645 4AB 0.8646
646 5DS 0.8646
647 DDU 0.8645
648 EUH 0.8643
649 XIF XYP 0.8641
650 QMS 0.8641
651 2BG 0.8640
652 GVA 0.8640
653 8WO 0.8639
654 H35 0.8638
655 BHS 0.8636
656 GXG 0.8635
657 D1Y 0.8631
658 2WU 0.8628
659 PLP 0.8626
660 LLH 0.8625
661 ABI 0.8624
662 E9S 0.8623
663 YI6 0.8622
664 DEZ 0.8622
665 4ZD 0.8621
666 Z13 0.8620
667 K3D 0.8620
668 EAJ 0.8619
669 4ZF 0.8619
670 JG8 0.8619
671 HHR 0.8618
672 API 0.8614
673 FUD 0.8613
674 CXH 0.8611
675 KYA 0.8610
676 C0W 0.8610
677 L14 0.8608
678 PPN 0.8607
679 AVO 0.8606
680 7G0 0.8601
681 A5P 0.8601
682 H2B 0.8600
683 6FZ 0.8593
684 8NX 0.8593
685 0A1 0.8593
686 2J2 0.8592
687 FBF 0.8590
688 H5B 0.8587
689 S98 0.8586
690 27M 0.8585
691 3AE 0.8584
692 LPK 0.8583
693 4NZ 0.8581
694 SNV 0.8580
695 92O 0.8578
696 P7Y 0.8578
697 CFA 0.8574
698 BA5 0.8572
699 IL5 0.8567
700 DVQ 0.8565
701 A8K 0.8564
702 PML 0.8556
703 P1J 0.8555
704 4YZ 0.8555
705 ENV 0.8553
706 1V4 0.8551
707 GGB 0.8551
708 WT2 0.8550
709 EFF 0.8550
710 DER 0.8550
711 ZEZ 0.8534
712 4CN 0.8534
713 1YO 0.8530
714 0XT 0.8528
715 RCV 0.8525
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
APoc FAQ
Feedback