Receptor
PDB id Resolution Class Description Source Keywords
6slw 2 Å NON-ENZYME: OTHER FRAGMENT AZ-004 BINDING AT THE TAZPS89/14-3-3 SIGMA INTERFAC HOMO SAPIENS PROTEIN PROTEIN INTERACTION FRAGMENT SOAKING STABILIZATIONBINDING PROTEIN
Ref.: FRAGMENT-BASED DIFFERENTIAL TARGETING OF PPI STABIL INTERFACES. J.MED.CHEM. V. 63 6694 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
L1T A:301;
A:302;
 Valid;
Valid;
 none;
none;
 submit data
216.302 C12 H12 N2 S [H]/N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6RHC 1.2 Å NON-ENZYME: OTHER FRAGMENT AZ-003 BINDING AT THE TAZPS89/14-3-3 SIGMA INTERFAC HOMO SAPIENS PROTEIN PROTEIN INTERACTION FRAGMENT SOAKING STABILIZATIONBINDING PROTEIN
Ref.: FRAGMENT-BASED DIFFERENTIAL TARGETING OF PPI STABIL INTERFACES. J.MED.CHEM. V. 63 6694 2020
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6RHC - K48 C11 H11 N3 S [H]/N=C(c1....
2 6RJL - K5Z C14 H17 N3 S [H]/N=C(c1....
3 6RP6 - KDK C17 H21 N3 S [H]/N=C(/c....
4 6SLW - L1T C12 H12 N2 S [H]/N=C(c1....
5 6RJQ - JT2 C13 H18 N4 S2 [H]/N=C(c1....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6RHC - K48 C11 H11 N3 S [H]/N=C(c1....
2 6RJL - K5Z C14 H17 N3 S [H]/N=C(c1....
3 6RP6 - KDK C17 H21 N3 S [H]/N=C(/c....
4 6SLW - L1T C12 H12 N2 S [H]/N=C(c1....
5 6RJQ - JT2 C13 H18 N4 S2 [H]/N=C(c1....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6RHC - K48 C11 H11 N3 S [H]/N=C(c1....
2 6RJL - K5Z C14 H17 N3 S [H]/N=C(c1....
3 6RP6 - KDK C17 H21 N3 S [H]/N=C(/c....
4 6SLW - L1T C12 H12 N2 S [H]/N=C(c1....
5 6RJQ - JT2 C13 H18 N4 S2 [H]/N=C(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: L1T; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 L1T 1 1
2 LFQ 0.489796 1
3 K48 0.44 0.8125
4 KLE 0.408163 0.888889
Similar Ligands (3D)
Ligand no: 1; Ligand: L1T; Similar ligands found: 624
No: Ligand Similarity coefficient
1 G14 0.9690
2 JMG 0.9644
3 3VQ 0.9587
4 ZZA 0.9552
5 5F8 0.9532
6 5FL 0.9525
7 ODK 0.9508
8 0LO 0.9492
9 6MW 0.9466
10 XI7 0.9465
11 D2G 0.9465
12 9FH 0.9451
13 8D6 0.9426
14 4FF 0.9424
15 PUE 0.9414
16 795 0.9394
17 0NX 0.9393
18 0K7 0.9392
19 8CC 0.9384
20 PZ8 0.9380
21 FCD 0.9364
22 M4N 0.9360
23 5F5 0.9354
24 AUV 0.9354
25 4AU 0.9351
26 1XS 0.9348
27 EV2 0.9325
28 AVA 0.9319
29 Q4G 0.9311
30 2D2 0.9309
31 IQQ 0.9307
32 A6W 0.9307
33 TCR 0.9306
34 5H6 0.9306
35 EWG 0.9305
36 5E5 0.9294
37 NK5 0.9293
38 0UL 0.9290
39 L5D 0.9288
40 54E 0.9284
41 0DF 0.9283
42 WVV 0.9281
43 KLS 0.9273
44 YE6 0.9259
45 0OK 0.9258
46 S1D 0.9257
47 52F 0.9257
48 JSX 0.9255
49 492 0.9253
50 5B2 0.9251
51 VBC 0.9249
52 FCW 0.9247
53 TI7 0.9242
54 KW7 0.9238
55 D25 0.9236
56 A9B 0.9228
57 RA7 0.9226
58 PIQ 0.9218
59 JCZ 0.9216
60 5C1 0.9209
61 3C5 0.9204
62 II4 0.9198
63 KWB 0.9197
64 P7V 0.9196
65 MMJ 0.9190
66 PQM 0.9190
67 LEL 0.9189
68 RKN 0.9187
69 78Y 0.9182
70 DBE 0.9181
71 6P3 0.9173
72 VM1 0.9170
73 7L4 0.9162
74 YE7 0.9162
75 1ER 0.9161
76 60L 0.9159
77 6C5 0.9158
78 5GV 0.9158
79 6C9 0.9148
80 RSV 0.9147
81 1SF 0.9145
82 0ON 0.9142
83 A7Q 0.9139
84 F4K 0.9139
85 AJ1 0.9137
86 MIL 0.9135
87 6DQ 0.9133
88 D1G 0.9131
89 108 0.9129
90 TRP 0.9127
91 FMQ 0.9127
92 2JX 0.9127
93 TJM 0.9125
94 KP2 0.9119
95 2GQ 0.9119
96 F40 0.9118
97 OQC 0.9114
98 BP7 0.9113
99 68B 0.9112
100 CK2 0.9112
101 LR8 0.9111
102 Q8G 0.9108
103 4G2 0.9107
104 X6W 0.9106
105 5TO 0.9105
106 5TZ 0.9101
107 EQA 0.9100
108 49P 0.9098
109 LIG 0.9096
110 P4L 0.9095
111 3XH 0.9095
112 6C8 0.9092
113 PQS 0.9091
114 H75 0.9090
115 FC2 0.9090
116 AWE 0.9088
117 D9Z 0.9085
118 BVS 0.9082
119 LL1 0.9076
120 C4E 0.9075
121 AU8 0.9072
122 9UL 0.9069
123 6FG 0.9068
124 FHV 0.9068
125 CK1 0.9062
126 3VS 0.9062
127 1AJ 0.9061
128 FTV 0.9059
129 0OL 0.9057
130 2FX 0.9057
131 Q8D 0.9055
132 2P3 0.9054
133 X6P 0.9053
134 5VU 0.9046
135 90G 0.9043
136 U7E 0.9042
137 L07 0.9040
138 JF5 0.9040
139 HSA 0.9038
140 KYN 0.9036
141 GJG 0.9035
142 X2M 0.9035
143 8V8 0.9034
144 MKN 0.9033
145 SNJ 0.9032
146 7EH 0.9031
147 L03 0.9029
148 RKV 0.9029
149 HH6 0.9027
150 N9M 0.9026
151 9JT 0.9025
152 JAH 0.9017
153 LR2 0.9016
154 7O4 0.9014
155 VUP 0.9014
156 EAE 0.9010
157 D3G 0.9009
158 NAL 0.9007
159 LZ5 0.9006
160 IWT 0.9005
161 H7S 0.9004
162 D8Q 0.9004
163 JWS 0.9004
164 1HP 0.9001
165 47V 0.9001
166 B1J 0.9000
167 J38 0.8999
168 MZM 0.8998
169 JGY 0.8997
170 Y3L 0.8996
171 S8P 0.8995
172 Z21 0.8993
173 3D8 0.8992
174 6FB 0.8992
175 1FE 0.8991
176 KMY 0.8991
177 A7H 0.8990
178 5P3 0.8990
179 6KT 0.8989
180 ALA PHE 0.8988
181 EQW 0.8980
182 7M2 0.8980
183 OPA 0.8980
184 QME 0.8979
185 363 0.8979
186 7N8 0.8978
187 4NR 0.8978
188 549 0.8977
189 Q0K 0.8977
190 HRM 0.8977
191 VJJ 0.8975
192 AXX 0.8961
193 YZ9 0.8961
194 TIA 0.8961
195 IQW 0.8960
196 C0W 0.8960
197 TXW 0.8959
198 2QU 0.8957
199 5WK 0.8953
200 5TT 0.8952
201 MD6 0.8952
202 B21 0.8951
203 VC3 0.8950
204 2J3 0.8948
205 DXK 0.8947
206 I2E 0.8947
207 VFG 0.8946
208 9CE 0.8946
209 4I8 0.8941
210 42R 0.8940
211 3DE 0.8939
212 TT4 0.8939
213 3XR 0.8938
214 SWX 0.8938
215 DDC 0.8937
216 22L 0.8935
217 UN3 0.8934
218 AZM 0.8932
219 VFM 0.8930
220 SOJ 0.8929
221 WV7 0.8928
222 N4E 0.8928
223 FT6 0.8928
224 EI1 0.8927
225 4GU 0.8926
226 AVX 0.8925
227 6QT 0.8924
228 X48 0.8921
229 GO2 0.8920
230 PZX 0.8917
231 KCH 0.8917
232 DFL 0.8915
233 OA1 0.8914
234 3VW 0.8914
235 72D 0.8911
236 0FR 0.8910
237 IOP 0.8909
238 VGS 0.8909
239 SER DNF 0.8907
240 DNF SER 0.8907
241 BBY 0.8904
242 L15 0.8903
243 89J 0.8903
244 7M5 0.8903
245 1KN 0.8900
246 PRL 0.8900
247 EES 0.8899
248 T2D 0.8899
249 AUE 0.8898
250 4ZF 0.8897
251 272 0.8897
252 CU8 0.8895
253 4BX 0.8895
254 J1K 0.8895
255 1V4 0.8894
256 CKA 0.8892
257 IQZ 0.8892
258 A73 0.8891
259 K4V 0.8890
260 4MB 0.8889
261 WCU 0.8888
262 CSN 0.8888
263 M78 0.8888
264 XEV 0.8887
265 A5Q 0.8886
266 28A 0.8886
267 SSY 0.8883
268 6C4 0.8883
269 XCG 0.8883
270 2PK 0.8882
271 V2Z 0.8881
272 FZM 0.8880
273 39Z 0.8880
274 27K 0.8879
275 11X 0.8878
276 EAJ 0.8876
277 0SY 0.8876
278 1V1 0.8873
279 51Y 0.8872
280 GHQ 0.8870
281 37E 0.8870
282 J84 0.8869
283 M83 0.8869
284 M2E 0.8868
285 4NP 0.8867
286 1V3 0.8866
287 9BF 0.8864
288 25F 0.8864
289 DJN 0.8864
290 6JO 0.8861
291 RAY 0.8860
292 JBZ 0.8860
293 20D 0.8860
294 LVY 0.8859
295 CX6 0.8859
296 3F4 0.8859
297 A5H 0.8858
298 CUE 0.8857
299 GNR 0.8856
300 RGK 0.8856
301 22T 0.8856
302 6SD 0.8855
303 AJG 0.8855
304 EF2 0.8854
305 KWV 0.8853
306 SZ5 0.8853
307 1HR 0.8852
308 4AF 0.8850
309 CFA 0.8847
310 SNV 0.8847
311 AVO 0.8847
312 K7H 0.8847
313 46P 0.8846
314 9KZ 0.8846
315 9XZ 0.8846
316 PRO GLY 0.8845
317 P93 0.8845
318 NAG 0.8844
319 3CX 0.8843
320 2QV 0.8839
321 S46 0.8838
322 4CN 0.8836
323 TMG 0.8835
324 7MW 0.8834
325 BZQ 0.8834
326 NWD 0.8830
327 HNT 0.8827
328 BSA 0.8826
329 A05 0.8825
330 7VP 0.8824
331 C82 0.8824
332 3IL 0.8820
333 79W 0.8818
334 RVE 0.8817
335 AP6 0.8817
336 8RK 0.8815
337 GVY 0.8815
338 27M 0.8815
339 YZM 0.8815
340 N1E 0.8814
341 AUG 0.8813
342 5OR 0.8813
343 30G 0.8811
344 D26 0.8809
345 AMR 0.8808
346 531 0.8807
347 LI7 0.8806
348 3QI 0.8804
349 3RP 0.8803
350 JVD 0.8803
351 KW8 0.8802
352 OTA 0.8800
353 MS0 0.8800
354 ISC 0.8799
355 5V7 0.8798
356 OAI 0.8798
357 L22 0.8797
358 RDV 0.8797
359 6DH 0.8796
360 THA 0.8796
361 GNY 0.8794
362 657 0.8794
363 HX4 0.8793
364 BPY 0.8792
365 CBE 0.8791
366 5OO 0.8791
367 CP7 0.8791
368 833 0.8788
369 SJK 0.8787
370 7FU 0.8787
371 X0U 0.8786
372 M5E 0.8784
373 2J1 0.8784
374 K3D 0.8783
375 JF8 0.8783
376 96Z 0.8783
377 2QC 0.8783
378 DX2 0.8780
379 LP8 0.8780
380 ENO 0.8779
381 1A5 0.8776
382 U4J 0.8776
383 K82 0.8776
384 8YH 0.8775
385 1EB 0.8775
386 LNN 0.8774
387 5AD 0.8774
388 NPS 0.8773
389 1A7 0.8773
390 6DE 0.8772
391 S62 0.8772
392 DFV 0.8772
393 RNO 0.8770
394 2UD 0.8768
395 SNO 0.8768
396 2GD 0.8767
397 9R5 0.8767
398 FDR 0.8766
399 GDL 0.8765
400 3SU 0.8763
401 2F6 0.8761
402 HHB 0.8760
403 NFZ 0.8759
404 BZJ 0.8758
405 OLU 0.8756
406 S0E 0.8755
407 MUR 0.8754
408 92G 0.8753
409 AES 0.8753
410 4BY 0.8750
411 5LD 0.8750
412 GT4 0.8750
413 NKI 0.8747
414 F63 0.8745
415 4NS 0.8744
416 TOH 0.8743
417 5GT 0.8743
418 PNP 0.8742
419 EUH 0.8742
420 14W 0.8741
421 NIY 0.8741
422 BSU 0.8740
423 QR2 0.8739
424 3ZB 0.8739
425 WA1 0.8739
426 IQ5 0.8737
427 AJ4 0.8737
428 801 0.8736
429 90M 0.8733
430 1ZC 0.8733
431 XYP XIF 0.8733
432 XIF XYP 0.8733
433 M5H 0.8732
434 80G 0.8732
435 72E 0.8732
436 NGA 0.8732
437 26C 0.8732
438 4EU 0.8731
439 CX4 0.8731
440 DRG 0.8726
441 9NB 0.8726
442 ZRK 0.8724
443 EN1 0.8723
444 J2P 0.8723
445 I3E 0.8723
446 A98 0.8722
447 HBI 0.8721
448 JHY 0.8720
449 5KN 0.8720
450 E3X 0.8719
451 ONR 0.8717
452 GF4 0.8716
453 4CF 0.8715
454 7G2 0.8714
455 0SX 0.8714
456 J9N 0.8713
457 CWD 0.8712
458 CPZ 0.8712
459 20N 0.8712
460 LF5 0.8712
461 5DL 0.8711
462 S7S 0.8710
463 EUE 0.8710
464 TC8 0.8708
465 DX7 0.8708
466 HJ7 0.8707
467 QIV 0.8706
468 6ZX 0.8705
469 57D 0.8705
470 LJ3 0.8704
471 S0J 0.8703
472 E9S 0.8703
473 1FL 0.8702
474 NPX 0.8700
475 LHY 0.8698
476 2PV 0.8698
477 40N 0.8697
478 8NB 0.8695
479 2OH 0.8695
480 ERZ 0.8695
481 SQV 0.8694
482 K80 0.8693
483 3VX 0.8690
484 C09 0.8690
485 YI6 0.8689
486 536 0.8689
487 PLP 0.8689
488 0F9 0.8689
489 N9J 0.8688
490 5NN 0.8687
491 50C 0.8686
492 5DE 0.8686
493 G6Q 0.8686
494 TIZ 0.8685
495 1Z6 0.8685
496 D87 0.8684
497 1Q4 0.8683
498 0F3 0.8683
499 FWD 0.8683
500 7G0 0.8681
501 XDK 0.8681
502 LOT 0.8680
503 S7D 0.8679
504 KF5 0.8679
505 A4T 0.8678
506 MJW 0.8677
507 NDG 0.8675
508 DCZ 0.8674
509 B23 0.8672
510 GNV 0.8672
511 ZSP 0.8670
512 XG1 0.8669
513 BWD 0.8669
514 Q9T 0.8668
515 1PS 0.8665
516 OJD 0.8665
517 7KE 0.8664
518 ET0 0.8663
519 2UZ 0.8662
520 UNJ 0.8661
521 6JM 0.8660
522 0MB 0.8660
523 LZJ 0.8660
524 NDD 0.8659
525 MUK 0.8658
526 K6N 0.8658
527 FZ0 0.8658
528 SRO 0.8657
529 3C3 0.8657
530 VFJ 0.8654
531 SB7 0.8653
532 9FG 0.8652
533 P9I 0.8651
534 OW7 0.8650
535 P1J 0.8649
536 PQZ 0.8647
537 D64 0.8647
538 FF2 0.8645
539 SSC 0.8643
540 KOM 0.8641
541 BX4 0.8641
542 AJD 0.8640
543 JTA 0.8639
544 TR4 0.8637
545 92Y 0.8635
546 A2G 0.8635
547 HWB 0.8634
548 3Y7 0.8634
549 4Z9 0.8631
550 H4B 0.8631
551 MSR 0.8631
552 C53 0.8629
553 QBP 0.8626
554 4BL 0.8626
555 B4O 0.8624
556 789 0.8621
557 BGU 0.8620
558 M3W 0.8620
559 4FP 0.8620
560 A4N 0.8619
561 RF2 0.8616
562 A5E 0.8615
563 IWD 0.8610
564 EST 0.8607
565 LZ4 0.8607
566 7FZ 0.8606
567 5DS 0.8604
568 JFS 0.8604
569 3JC 0.8603
570 P9E 0.8603
571 DDU 0.8601
572 3WL 0.8600
573 QTD 0.8598
574 W81 0.8598
575 HJH 0.8597
576 BVA 0.8595
577 GNJ 0.8593
578 PMP 0.8590
579 K6B 0.8587
580 HNH 0.8586
581 3R4 0.8585
582 K5Z 0.8583
583 7QD 0.8582
584 GB5 0.8582
585 HWD 0.8581
586 6EL 0.8581
587 BIO 0.8580
588 SU9 0.8579
589 F1X 0.8579
590 TID 0.8578
591 DUR 0.8575
592 FHI 0.8574
593 RYV 0.8573
594 A7K 0.8572
595 XDL XYP 0.8572
596 15E 0.8572
597 RFZ 0.8571
598 ZTW 0.8568
599 RCV 0.8568
600 RD4 0.8567
601 34L 0.8567
602 LTN 0.8564
603 LVD 0.8563
604 N91 0.8563
605 1OT 0.8558
606 U14 0.8557
607 1Q2 0.8557
608 PQV 0.8556
609 FSE 0.8556
610 15Q 0.8554
611 FBC 0.8553
612 428 0.8550
613 CUQ 0.8545
614 GXD 0.8545
615 ALE 0.8545
616 URI 0.8545
617 AOY 0.8538
618 XIL 0.8529
619 CR4 0.8524
620 ZRL 0.8524
621 BIK 0.8522
622 FX5 0.8520
623 7VF 0.8514
624 CTN 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6RHC; Ligand: K48; 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: 6rhc.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6RHC; Ligand: K48; 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: 6rhc.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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