Receptor
PDB id Resolution Class Description Source Keywords
3KAC 2 Å EC: 5.2.1.8 STRUCTURE-GUIDED DESIGN OF ALPHA-AMINO ACID-DERIVED PIN1 INHIBITORS HOMO SAPIENS SBDD PPIASE ISOMERASE ROTAMASE SMALL MOLECULE PROLINE DIRECTED KINASE CELL CYCLE ONCOGENIC TRANSFORMATION NUCLEUS PHOSPHOPROTEIN
Ref.: STRUCTURE-GUIDED DESIGN OF ALPHA-AMINO ACID-DERIVED PIN1 INHIBITORS BIOORG.MED.CHEM.LETT. V. 20 586 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4BX A:1;
B:1;
 Valid;
Valid;
 none;
none;
 ic50 = 740 uM
190.199 C10 H10 N2 O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4TYO 1.75 Å EC: 5.2.1.8 PPIASE IN COMPLEX WITH A NON-PHOSPHATE SMALL MOLECULE INHIBI HOMO SAPIENS SBDD PPIASE CELL CYCLE ISOMERASE SMALL MOLECULE NUCLEUSPHOSPHOPROTEIN ROTAMASE PEPTIDYL-PROLYL CIS-TRANS ISOMERAISOMERASE-ISOMERASE INHIBITOR COMPLEX
Ref.: STRUCTURE-BASED DESIGN OF NOVEL HUMAN PIN1 INHIBITO OPTIMIZING AFFINITY BEYOND THE PHOSPHATE RECOGNITIO BIOORG.MED.CHEM.LETT. V. 24 4187 2014
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 3I6C Ki = 12 uM GIA C20 H16 F N O3 c1ccc2cc(c....
2 4TYO Ki = 0.08 uM 39X C21 H16 F N3 O3 c1ccc2cc(c....
3 3IKG - J8Z C19 H18 N O5 P S Cc1cccc(c1....
4 3KAC ic50 = 740 uM 4BX C10 H10 N2 O2 c1ccc2c(c1....
5 3JYJ Ki = 1.8 uM JZI C22 H19 N O3 c1ccc(cc1)....
6 3IKD - J9Z C18 H16 N O5 P S c1ccc(cc1)....
70% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 2ITK Ki = 20.4 nM ACE PHE D11 YCP NAL GLN NH2 n/a n/a
2 2XPB ic50 = 2 uM 4GE C19 H16 Cl N3 O3 CN(Cc1cccc....
3 3KAG ic50 = 6.6 uM 4D7 C16 H15 N3 O4 Cc1c(cco1)....
4 3KAI ic50 = 3.9 uM 4FI C24 H21 N3 O3 Cn1c(cc(n1....
5 2Q5A Ki = 507 nM ACE PHE TPO YCP NAL GLN NH2 n/a n/a
6 2XPA ic50 = 4.1 uM 4G5 C14 H14 N4 O4 CN(CC(=O)N....
7 3WH0 - O4B C12 H24 O6 C1COCCOCCO....
8 2XP3 - B21 C12 H10 O4 COc1ccccc1....
9 3ODK ic50 = 720 uM ODK C9 H7 N3 O2 c1ccnc(c1)....
10 3TDB - 3TB C24 H38 N7 O7 P [H]/N=C(N)....
11 3KAD ic50 = 7.5 uM 4C0 C19 H19 N3 O3 c1ccc(cc1)....
12 2XP4 ic50 = 180 uM G14 C10 H8 N2 O2 c1ccc(cc1)....
13 3KAB ic50 = 630 uM 4BL C10 H9 N O2 Cc1ccc2cc(....
14 3OOB Kd = 21.6 uM KDH C22 H18 O11 c1c(cc(c(c....
15 2XP5 ic50 = 360 uM 4FF C11 H10 N2 O2 Cc1c(nc([n....
16 2XP7 Kd = 1.7 uM 4F8 C11 H8 N2 O4 c1ccc(cc1)....
17 3TCZ - R2Z C16 H29 N6 O7 P [H]/N=C(N)....
18 3KAH ic50 = 0.26 uM 4DH C21 H19 N5 O3 Cn1c(cc(n1....
19 2XP6 ic50 = 20 uM 4G2 C11 H9 Cl N2 O2 Cc1c(nc([n....
20 2XP8 ic50 = 15 uM 4FY C15 H15 N3 O4 c1ccc(cc1)....
21 3KAF ic50 = 0.83 uM 4D9 C19 H15 N3 O3 S c1ccc2c(c1....
22 5UY9 - GLN ALA SER TPO PRO ARG NIT n/a n/a
23 3NTP ic50 = 12 uM RZD C20 H29 N4 O6 P CC(=O)N[C@....
24 2XP9 - 4G8 C20 H17 N3 O5 c1ccc(cc1)....
25 3KCE - 4BY C10 H9 N O2 Cc1ccc2c(c....
26 3TC5 - 3T5 C22 H30 F O8 P C[C@@H]1C[....
27 1F8A Kd = 10 uM TYR SEP PRO THR SEP PRO SER n/a n/a
28 3I6C Ki = 12 uM GIA C20 H16 F N O3 c1ccc2cc(c....
29 4TYO Ki = 0.08 uM 39X C21 H16 F N3 O3 c1ccc2cc(c....
30 3IKG - J8Z C19 H18 N O5 P S Cc1cccc(c1....
31 3KAC ic50 = 740 uM 4BX C10 H10 N2 O2 c1ccc2c(c1....
32 3JYJ Ki = 1.8 uM JZI C22 H19 N O3 c1ccc(cc1)....
33 3IKD - J9Z C18 H16 N O5 P S c1ccc(cc1)....
50% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2ITK Ki = 20.4 nM ACE PHE D11 YCP NAL GLN NH2 n/a n/a
2 2XPB ic50 = 2 uM 4GE C19 H16 Cl N3 O3 CN(Cc1cccc....
3 3KAG ic50 = 6.6 uM 4D7 C16 H15 N3 O4 Cc1c(cco1)....
4 3KAI ic50 = 3.9 uM 4FI C24 H21 N3 O3 Cn1c(cc(n1....
5 2Q5A Ki = 507 nM ACE PHE TPO YCP NAL GLN NH2 n/a n/a
6 2XPA ic50 = 4.1 uM 4G5 C14 H14 N4 O4 CN(CC(=O)N....
7 3WH0 - O4B C12 H24 O6 C1COCCOCCO....
8 2XP3 - B21 C12 H10 O4 COc1ccccc1....
9 3ODK ic50 = 720 uM ODK C9 H7 N3 O2 c1ccnc(c1)....
10 3TDB - 3TB C24 H38 N7 O7 P [H]/N=C(N)....
11 3KAD ic50 = 7.5 uM 4C0 C19 H19 N3 O3 c1ccc(cc1)....
12 2XP4 ic50 = 180 uM G14 C10 H8 N2 O2 c1ccc(cc1)....
13 3KAB ic50 = 630 uM 4BL C10 H9 N O2 Cc1ccc2cc(....
14 3OOB Kd = 21.6 uM KDH C22 H18 O11 c1c(cc(c(c....
15 2XP5 ic50 = 360 uM 4FF C11 H10 N2 O2 Cc1c(nc([n....
16 2XP7 Kd = 1.7 uM 4F8 C11 H8 N2 O4 c1ccc(cc1)....
17 3TCZ - R2Z C16 H29 N6 O7 P [H]/N=C(N)....
18 3KAH ic50 = 0.26 uM 4DH C21 H19 N5 O3 Cn1c(cc(n1....
19 2XP6 ic50 = 20 uM 4G2 C11 H9 Cl N2 O2 Cc1c(nc([n....
20 2XP8 ic50 = 15 uM 4FY C15 H15 N3 O4 c1ccc(cc1)....
21 3KAF ic50 = 0.83 uM 4D9 C19 H15 N3 O3 S c1ccc2c(c1....
22 5UY9 - GLN ALA SER TPO PRO ARG NIT n/a n/a
23 3NTP ic50 = 12 uM RZD C20 H29 N4 O6 P CC(=O)N[C@....
24 2XP9 - 4G8 C20 H17 N3 O5 c1ccc(cc1)....
25 3KCE - 4BY C10 H9 N O2 Cc1ccc2c(c....
26 3TC5 - 3T5 C22 H30 F O8 P C[C@@H]1C[....
27 1F8A Kd = 10 uM TYR SEP PRO THR SEP PRO SER n/a n/a
28 3I6C Ki = 12 uM GIA C20 H16 F N O3 c1ccc2cc(c....
29 4TYO Ki = 0.08 uM 39X C21 H16 F N3 O3 c1ccc2cc(c....
30 3IKG - J8Z C19 H18 N O5 P S Cc1cccc(c1....
31 3KAC ic50 = 740 uM 4BX C10 H10 N2 O2 c1ccc2c(c1....
32 3JYJ Ki = 1.8 uM JZI C22 H19 N O3 c1ccc(cc1)....
33 3IKD - J9Z C18 H16 N O5 P S c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4BX; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 4BX 1 1
2 XIY 0.531915 0.710526
3 2XO 0.5 0.648649
4 4C0 0.422535 0.702128
Similar Ligands (3D)
Ligand no: 1; Ligand: 4BX; Similar ligands found: 596
No: Ligand Similarity coefficient
1 EYJ 0.9795
2 3D3 0.9648
3 I2E 0.9570
4 DHC 0.9502
5 6N4 0.9499
6 TMG 0.9467
7 XCG 0.9465
8 2FX 0.9457
9 EYV 0.9455
10 NAL 0.9451
11 EYY 0.9421
12 S0D 0.9404
13 OLU 0.9374
14 0QA 0.9372
15 4FE 0.9367
16 QIV 0.9337
17 36M 0.9334
18 GO2 0.9326
19 QME 0.9325
20 AAN 0.9324
21 PPT 0.9323
22 0SY 0.9321
23 92G 0.9318
24 YOF 0.9316
25 XI7 0.9315
26 IOS 0.9313
27 HC4 0.9306
28 GO8 0.9304
29 IAC 0.9303
30 AHC 0.9296
31 ENO 0.9284
32 KMY 0.9282
33 ZHA 0.9276
34 GB5 0.9274
35 QH3 0.9268
36 FHV 0.9265
37 ZRK 0.9263
38 6C5 0.9260
39 IOP 0.9258
40 B41 0.9256
41 WA1 0.9254
42 LR8 0.9251
43 5O6 0.9246
44 Y3L 0.9241
45 BSA 0.9228
46 6FG 0.9221
47 5PV 0.9218
48 F90 0.9211
49 HPP 0.9209
50 3VQ 0.9199
51 T03 0.9197
52 9BF 0.9195
53 KLS 0.9193
54 FER 0.9191
55 4I8 0.9190
56 D3G 0.9186
57 ZIP 0.9186
58 F4E 0.9185
59 0UL 0.9183
60 4AF 0.9183
61 RSV 0.9178
62 TRP 0.9176
63 P81 0.9176
64 6C8 0.9170
65 4CN 0.9169
66 DTR 0.9165
67 JMG 0.9165
68 SYE 0.9165
69 GJK 0.9162
70 4AU 0.9162
71 KLE 0.9161
72 4TB 0.9161
73 9VQ 0.9161
74 BDI 0.9158
75 0A1 0.9155
76 YZM 0.9153
77 G14 0.9152
78 5TO 0.9151
79 DAH 0.9144
80 PUE 0.9143
81 N7I 0.9141
82 S0W 0.9139
83 IYR 0.9139
84 TYR 0.9138
85 363 0.9132
86 C4E 0.9130
87 NFZ 0.9128
88 JCZ 0.9124
89 PLP 0.9122
90 N91 0.9120
91 ALE 0.9120
92 1AJ 0.9119
93 3VS 0.9117
94 FWD 0.9113
95 5VU 0.9106
96 GHQ 0.9106
97 GJG 0.9102
98 7EH 0.9101
99 4NS 0.9100
100 VC3 0.9099
101 1FE 0.9096
102 1PS 0.9096
103 68B 0.9095
104 3VX 0.9095
105 LVD 0.9093
106 PBN 0.9093
107 PPN 0.9091
108 C82 0.9090
109 PIQ 0.9090
110 ZEA 0.9090
111 5AD 0.9090
112 XDE 0.9089
113 RPN 0.9086
114 5WN 0.9086
115 6C9 0.9084
116 XRS 0.9082
117 KPV 0.9080
118 5O5 0.9079
119 YIH 0.9079
120 DTY 0.9079
121 D2G 0.9079
122 GB4 0.9078
123 LTN 0.9077
124 EN1 0.9071
125 848 0.9070
126 RDV 0.9069
127 5E5 0.9069
128 PRO GLY 0.9069
129 0ON 0.9068
130 M28 0.9065
131 245 0.9064
132 MJW 0.9063
133 6ZX 0.9062
134 H4B 0.9062
135 ODK 0.9059
136 LR2 0.9059
137 KYN 0.9056
138 4NP 0.9055
139 CTE 0.9054
140 0NX 0.9051
141 SX2 0.9051
142 FT6 0.9050
143 MD6 0.9050
144 D25 0.9048
145 833 0.9048
146 7PS 0.9047
147 27K 0.9046
148 STV 0.9045
149 6C4 0.9040
150 PNP 0.9038
151 7PJ 0.9034
152 HXY 0.9034
153 A7H 0.9033
154 D1G 0.9032
155 NIY 0.9029
156 J4K 0.9029
157 22T 0.9026
158 FCD 0.9025
159 H4E 0.9025
160 2L1 0.9024
161 1L5 0.9023
162 PAU 0.9022
163 WA2 0.9015
164 HNM 0.9015
165 0XR 0.9014
166 9JT 0.9013
167 M4N 0.9011
168 0DF 0.9011
169 8CC 0.9009
170 N9J 0.9007
171 SJK 0.9006
172 11X 0.9004
173 397 0.9004
174 S7G 0.9003
175 MPP 0.9000
176 HBI 0.8998
177 DTE 0.8997
178 6FB 0.8996
179 GVY 0.8995
180 MKN 0.8995
181 EUH 0.8995
182 52F 0.8994
183 4FP 0.8993
184 ZRL 0.8992
185 657 0.8987
186 AJG 0.8987
187 ARG 0.8984
188 YPN 0.8984
189 YE6 0.8983
190 6H2 0.8982
191 QBM 0.8982
192 S0F 0.8982
193 C9M 0.8981
194 PQT 0.8981
195 BQ2 0.8980
196 RQD 0.8980
197 8EU 0.8980
198 OHJ 0.8977
199 AMR 0.8975
200 HCI 0.8974
201 B5A 0.8973
202 A6W 0.8973
203 ITW 0.8970
204 2P3 0.8969
205 OJD 0.8969
206 SBK 0.8968
207 D8Q 0.8966
208 A5Q 0.8966
209 CWD 0.8965
210 5ER 0.8964
211 PH3 0.8964
212 LJ4 0.8964
213 3IB 0.8963
214 P93 0.8963
215 DEW 0.8962
216 5H6 0.8961
217 4Z9 0.8961
218 K48 0.8961
219 1EB 0.8959
220 7O4 0.8958
221 S7D 0.8958
222 LZ5 0.8956
223 PLR 0.8956
224 B15 0.8956
225 4MB 0.8956
226 BSU 0.8955
227 K3D 0.8954
228 CBE 0.8953
229 S8G 0.8953
230 ZTW 0.8952
231 TID 0.8952
232 LFQ 0.8951
233 TB8 0.8950
234 B1J 0.8950
235 6P3 0.8949
236 HLP 0.8948
237 JBZ 0.8948
238 0K7 0.8944
239 47V 0.8943
240 N9M 0.8943
241 N1E 0.8942
242 F52 0.8942
243 795 0.8939
244 5OO 0.8939
245 K7H 0.8939
246 D9Z 0.8931
247 3EB 0.8927
248 PMM 0.8925
249 3SU 0.8925
250 LO1 0.8925
251 EV2 0.8924
252 IBP 0.8924
253 YIP 0.8924
254 TYE 0.8923
255 MMS 0.8922
256 ZZA 0.8921
257 Z25 0.8921
258 J1K 0.8921
259 L4K 0.8921
260 PLP PMP 0.8921
261 PRL 0.8918
262 JAH 0.8918
263 FF2 0.8916
264 8V8 0.8915
265 GOE 0.8914
266 2QU 0.8914
267 HL6 0.8913
268 3N1 0.8913
269 S0A 0.8911
270 ISA 0.8910
271 FZM 0.8910
272 ZEC 0.8907
273 2QC 0.8907
274 96Z 0.8905
275 8YH 0.8904
276 S8P 0.8900
277 8Y7 0.8898
278 3XH 0.8897
279 IWD 0.8896
280 PQM 0.8896
281 L1T 0.8895
282 3H2 0.8895
283 IJ6 0.8894
284 CIY 0.8894
285 M01 0.8894
286 CHQ 0.8893
287 TOH 0.8892
288 F63 0.8891
289 H35 0.8891
290 MP5 0.8889
291 NK5 0.8889
292 6MW 0.8888
293 N4E 0.8888
294 4XF 0.8887
295 HWD 0.8886
296 BWD 0.8886
297 4EU 0.8886
298 AZY 0.8884
299 BPW 0.8881
300 6HP 0.8879
301 BP7 0.8879
302 3W3 0.8878
303 3W6 0.8878
304 X48 0.8878
305 4FF 0.8876
306 JFM 0.8875
307 4ZD 0.8875
308 ARP 0.8875
309 ESJ 0.8872
310 KF5 0.8872
311 6J5 0.8871
312 TYC 0.8871
313 GT4 0.8869
314 78U 0.8868
315 E3X 0.8866
316 KLV 0.8865
317 0OY 0.8862
318 AJ1 0.8862
319 YF3 0.8861
320 AOY 0.8861
321 1QP 0.8860
322 CFA 0.8860
323 YE7 0.8859
324 CC5 0.8859
325 HRM 0.8859
326 5B2 0.8859
327 EXG 0.8859
328 7MX 0.8857
329 APS 0.8857
330 0FR 0.8857
331 9VZ 0.8857
332 SB7 0.8855
333 EGR 0.8855
334 EQA 0.8851
335 F40 0.8851
336 LPA 0.8850
337 6Q3 0.8849
338 G6P 0.8849
339 2O8 0.8846
340 A8D 0.8846
341 1HR 0.8844
342 37E 0.8844
343 TCA 0.8843
344 EES 0.8843
345 EQW 0.8842
346 AES 0.8841
347 5GV 0.8840
348 EAT 0.8839
349 A51 0.8838
350 UAY 0.8838
351 RNK 0.8836
352 HX8 0.8836
353 7MW 0.8835
354 IQ5 0.8835
355 9F8 0.8834
356 AC2 0.8832
357 1A5 0.8831
358 X0U 0.8830
359 MR4 0.8830
360 2UB 0.8828
361 1XS 0.8826
362 P80 0.8826
363 3D8 0.8826
364 MR5 0.8825
365 8D6 0.8825
366 ZYQ 0.8824
367 U13 0.8824
368 IPO 0.8820
369 RE4 0.8820
370 KP2 0.8820
371 BIO 0.8820
372 4BY 0.8818
373 2LT 0.8818
374 6DQ 0.8818
375 P4T 0.8817
376 6L6 0.8817
377 ZON 0.8817
378 MR6 0.8816
379 5M2 0.8816
380 MUX 0.8816
381 ONZ 0.8815
382 FCW 0.8815
383 5TT 0.8815
384 2D2 0.8814
385 EGV 0.8814
386 1BW 0.8814
387 5OR 0.8810
388 OOG 0.8809
389 BZM 0.8808
390 AP6 0.8808
391 26C 0.8807
392 SWX 0.8806
393 F5C 0.8806
394 WCU 0.8806
395 3G3 0.8806
396 AHL 0.8804
397 PQS 0.8804
398 5DL 0.8803
399 CT0 0.8801
400 2UD 0.8800
401 3IP 0.8800
402 3UF 0.8800
403 BVS 0.8799
404 9NB 0.8799
405 ZIQ 0.8797
406 NY4 0.8796
407 G30 0.8794
408 0OK 0.8794
409 BL0 0.8794
410 5C1 0.8793
411 FY8 0.8792
412 PMP 0.8792
413 CIR 0.8790
414 9FH 0.8789
415 F02 0.8789
416 2GQ 0.8789
417 KWV 0.8788
418 492 0.8787
419 72D 0.8785
420 F18 0.8784
421 3TC 0.8784
422 NAG 0.8783
423 LDP 0.8782
424 JA5 0.8781
425 I3E 0.8781
426 YI6 0.8781
427 BB4 0.8780
428 QBP 0.8780
429 RCV 0.8779
430 K4V 0.8776
431 Q5M 0.8776
432 ZE7 0.8775
433 LJ1 0.8774
434 JXK 0.8774
435 4ZF 0.8773
436 A5P 0.8771
437 2WU 0.8770
438 2QV 0.8769
439 GZ2 0.8769
440 856 0.8767
441 4Z3 0.8767
442 2JX 0.8767
443 GNW 0.8766
444 JYT 0.8766
445 5RP 0.8766
446 VD9 0.8765
447 ZYC 0.8765
448 XEN 0.8765
449 BG6 0.8764
450 RGK 0.8762
451 PFF 0.8759
452 IS2 0.8758
453 HL4 0.8758
454 NFM 0.8757
455 LOT 0.8757
456 KWB 0.8756
457 L15 0.8755
458 SJR 0.8754
459 HA6 0.8753
460 1HP 0.8753
461 EEK 0.8751
462 PTB 0.8751
463 FMQ 0.8751
464 0OM 0.8750
465 AVX 0.8744
466 S7S 0.8742
467 H75 0.8739
468 EPE 0.8738
469 K0G 0.8738
470 TXW 0.8738
471 ITE 0.8736
472 NWD 0.8736
473 6SD 0.8736
474 Q0K 0.8735
475 PBA 0.8732
476 1V3 0.8728
477 M25 0.8727
478 RES 0.8726
479 RYV 0.8726
480 GJB 0.8725
481 3N0 0.8724
482 D26 0.8723
483 LSQ 0.8722
484 7N8 0.8722
485 ERZ 0.8719
486 LRW 0.8717
487 K82 0.8717
488 0OP 0.8715
489 HNT 0.8715
490 58X 0.8713
491 BX4 0.8712
492 Y4L 0.8712
493 GXG 0.8712
494 ZSP 0.8703
495 5NN 0.8701
496 68C 0.8701
497 BGP 0.8701
498 JF5 0.8701
499 0F3 0.8700
500 LJ2 0.8700
501 7ZO 0.8699
502 7G0 0.8699
503 S98 0.8698
504 258 0.8697
505 TJM 0.8697
506 M78 0.8696
507 4HB 0.8696
508 HPK 0.8695
509 TZP 0.8692
510 LIG 0.8691
511 1V4 0.8691
512 MFZ 0.8690
513 NDD 0.8689
514 5SJ 0.8688
515 613 0.8686
516 2M7 0.8682
517 F4K 0.8679
518 GLP 0.8678
519 J38 0.8675
520 EZ1 0.8674
521 3VR 0.8673
522 3LJ 0.8671
523 GGB 0.8671
524 F06 0.8670
525 X04 0.8669
526 V15 0.8669
527 J6W 0.8664
528 ENW 0.8663
529 12R 0.8662
530 E9S 0.8660
531 9JH 0.8660
532 A7Q 0.8659
533 7ZL 0.8659
534 4R1 0.8656
535 A98 0.8656
536 EZL 0.8656
537 B21 0.8655
538 RVE 0.8651
539 D1Y 0.8651
540 5SP 0.8646
541 1Q1 0.8644
542 H2B 0.8642
543 XRX 0.8642
544 Q06 0.8641
545 G2V 0.8639
546 PA5 0.8638
547 14W 0.8637
548 7L4 0.8636
549 72E 0.8633
550 3W8 0.8632
551 HVE 0.8631
552 8BD 0.8631
553 A6Z 0.8630
554 2L2 0.8629
555 JXT 0.8628
556 4CF 0.8623
557 92O 0.8621
558 E1P 0.8621
559 7AP 0.8620
560 4JE 0.8618
561 80G 0.8614
562 NMM 0.8614
563 3CX 0.8614
564 JGB 0.8611
565 1KN 0.8610
566 2J5 0.8609
567 ZYX 0.8608
568 CXH 0.8608
569 FBC 0.8606
570 HPX 0.8606
571 RYY 0.8605
572 9KZ 0.8602
573 263 0.8601
574 4BL 0.8594
575 4G2 0.8592
576 RP3 0.8592
577 LL2 0.8586
578 HDI 0.8582
579 A6P 0.8582
580 F6P 0.8571
581 4AB 0.8567
582 CX4 0.8562
583 WG8 0.8561
584 PHI 0.8559
585 JY2 0.8558
586 CG 0.8546
587 KW7 0.8545
588 M6P 0.8544
589 PXP 0.8544
590 2HC 0.8543
591 ETV 0.8533
592 WV7 0.8532
593 MUK 0.8525
594 0J2 0.8519
595 0LA 0.8517
596 IC9 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4TYO; Ligand: 39X; 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: 4tyo.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4TYO; Ligand: 39X; 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: 4tyo.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback