Receptor
PDB id Resolution Class Description Source Keywords
4LUV 1.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE FRAGMENT-BASED DISCOVERY OF A POTENT INHIBITOR OF REPLICATIO A PROTEIN-PROTEIN INTERACTIONS HOMO SAPIENS OB-FOLD PROTEIN-PROTEIN INTERACTION PROTEIN BINDING DNA BPROTEIN-INHIBITOR COMPLEX
Ref.: DISCOVERY OF A POTENT INHIBITOR OF REPLICATION PROT PROTEIN-PROTEIN INTERACTIONS USING A FRAGMENT-LINKI APPROACH. J.MED.CHEM. V. 56 9242 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1XS A:201;
 Valid;
 none;
 Kd = 1400 uM
240.615 C11 H6 Cl F O3 c1cc(...
1DZ A:202;
 Valid;
 none;
 Kd = 580 uM
278.305 C17 H14 N2 O2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4IPH 1.94 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF N-TERMINAL DOMAIN OF RPA70 IN COMPLEX WITH VU07 INHIBITOR HOMO SAPIENS OB-FOLD PROTEIN BINDING PROTEIN BINDING-INHIBITOR COMPLEX
Ref.: SURFACE REENGINEERING OF RPA70N ENABLES COCRYSTALLI WITH AN INHIBITOR OF THE REPLICATION PROTEIN A INTE MOTIF OF ATR INTERACTING PROTEIN. BIOCHEMISTRY V. 52 6515 2013
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 4LUZ Kd = 20 uM 1XT C29 H22 N2 O6 Cc1cccc(c1....
2 4LW1 Kd = 710 uM 1XS C11 H6 Cl F O3 c1cc(c(cc1....
3 4LWC - 1XU C28 H18 Cl3 N3 O3 S c1cc(ccc1C....
4 4LUV Kd = 1400 uM 1XS C11 H6 Cl F O3 c1cc(c(cc1....
5 4LUO Kd = 580 uM 1DZ C17 H14 N2 O2 Cc1cccc(c1....
6 4IPH Kd = 5.01 uM 1FJ C17 H13 N3 O2 S3 Cc1cccc(c1....
7 4IJH Kd = 47 uM 1EJ C17 H9 Cl F N3 O2 S2 c1cc(ccc1c....
8 5E7N Kd = 30 uM 5KR C21 H17 Br N2 O5 S Cc1ccc(cc1....
9 4IJL Kd = 135 uM 1EK C18 H12 Cl N3 O2 S2 c1ccc(cc1)....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 4LUZ Kd = 20 uM 1XT C29 H22 N2 O6 Cc1cccc(c1....
2 4LW1 Kd = 710 uM 1XS C11 H6 Cl F O3 c1cc(c(cc1....
3 4LWC - 1XU C28 H18 Cl3 N3 O3 S c1cc(ccc1C....
4 4LUV Kd = 1400 uM 1XS C11 H6 Cl F O3 c1cc(c(cc1....
5 4LUO Kd = 580 uM 1DZ C17 H14 N2 O2 Cc1cccc(c1....
6 4IPH Kd = 5.01 uM 1FJ C17 H13 N3 O2 S3 Cc1cccc(c1....
7 4IJH Kd = 47 uM 1EJ C17 H9 Cl F N3 O2 S2 c1cc(ccc1c....
8 5E7N Kd = 30 uM 5KR C21 H17 Br N2 O5 S Cc1ccc(cc1....
9 4IJL Kd = 135 uM 1EK C18 H12 Cl N3 O2 S2 c1ccc(cc1)....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 4LUZ Kd = 20 uM 1XT C29 H22 N2 O6 Cc1cccc(c1....
2 4LW1 Kd = 710 uM 1XS C11 H6 Cl F O3 c1cc(c(cc1....
3 4LWC - 1XU C28 H18 Cl3 N3 O3 S c1cc(ccc1C....
4 4LUV Kd = 1400 uM 1XS C11 H6 Cl F O3 c1cc(c(cc1....
5 4LUO Kd = 580 uM 1DZ C17 H14 N2 O2 Cc1cccc(c1....
6 4IPH Kd = 5.01 uM 1FJ C17 H13 N3 O2 S3 Cc1cccc(c1....
7 4IJH Kd = 47 uM 1EJ C17 H9 Cl F N3 O2 S2 c1cc(ccc1c....
8 5E7N Kd = 30 uM 5KR C21 H17 Br N2 O5 S Cc1ccc(cc1....
9 4IJL Kd = 135 uM 1EK C18 H12 Cl N3 O2 S2 c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 1XS; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 1XS 1 1
2 M83 0.440678 0.633333
Ligand no: 2; Ligand: 1DZ; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 1DZ 1 1
2 1XT 0.505882 0.764706
Similar Ligands (3D)
Ligand no: 1; Ligand: 1XS; Similar ligands found: 736
No: Ligand Similarity coefficient
1 0K7 0.9760
2 L2K 0.9675
3 28A 0.9665
4 G14 0.9541
5 JMG 0.9540
6 L5D 0.9537
7 4ZF 0.9523
8 ODK 0.9523
9 IQQ 0.9511
10 BVS 0.9497
11 4G2 0.9489
12 FC2 0.9486
13 A9B 0.9484
14 4AU 0.9476
15 ZZA 0.9468
16 4FF 0.9465
17 6MW 0.9463
18 Q4G 0.9457
19 KWV 0.9445
20 3VQ 0.9420
21 1Q1 0.9420
22 KCH 0.9418
23 TCR 0.9408
24 S1D 0.9408
25 JSX 0.9406
26 WVV 0.9404
27 VBC 0.9399
28 KLE 0.9398
29 BMC 0.9395
30 L03 0.9389
31 5VU 0.9385
32 FHV 0.9371
33 28B 0.9370
34 U14 0.9361
35 P7V 0.9361
36 8CC 0.9356
37 L1T 0.9348
38 C4E 0.9340
39 YE6 0.9337
40 5F8 0.9326
41 78Y 0.9318
42 833 0.9314
43 7G2 0.9311
44 IDZ 0.9310
45 FCD 0.9306
46 5H6 0.9298
47 LZ5 0.9296
48 5E5 0.9294
49 AUV 0.9292
50 PIQ 0.9287
51 0UL 0.9286
52 XEV 0.9284
53 QKU 0.9276
54 S0D 0.9275
55 5C1 0.9275
56 J1K 0.9264
57 ERZ 0.9262
58 2LW 0.9259
59 F18 0.9258
60 U13 0.9258
61 B1J 0.9253
62 6FG 0.9252
63 HRM 0.9250
64 NK5 0.9250
65 1SF 0.9245
66 2D2 0.9243
67 U4J 0.9242
68 M4N 0.9238
69 5FL 0.9237
70 1AJ 0.9234
71 EQA 0.9226
72 PUE 0.9220
73 795 0.9218
74 AVA 0.9214
75 Q2S 0.9211
76 PRL 0.9210
77 272 0.9210
78 JF8 0.9210
79 C0V 0.9210
80 A5H 0.9207
81 5B2 0.9201
82 4CN 0.9200
83 1HP 0.9200
84 0LO 0.9191
85 MR4 0.9191
86 68B 0.9184
87 5TO 0.9182
88 WDW 0.9181
89 2QU 0.9180
90 XI7 0.9179
91 0XR 0.9178
92 6H2 0.9177
93 TJM 0.9172
94 5TZ 0.9169
95 8D6 0.9165
96 0DF 0.9163
97 X2M 0.9159
98 AVX 0.9159
99 9JT 0.9159
100 6C5 0.9157
101 G30 0.9152
102 9FH 0.9150
103 A05 0.9149
104 AMR 0.9147
105 DFL 0.9147
106 N9M 0.9146
107 K48 0.9143
108 NDD 0.9141
109 92G 0.9141
110 P4T 0.9137
111 JFS 0.9137
112 1ER 0.9137
113 MR5 0.9135
114 VAO 0.9134
115 0NX 0.9133
116 801 0.9129
117 JF5 0.9127
118 JCQ 0.9126
119 D3G 0.9125
120 A6W 0.9125
121 38E 0.9123
122 5ER 0.9122
123 B21 0.9120
124 BXS 0.9119
125 OLU 0.9116
126 7EH 0.9113
127 LUM 0.9113
128 20D 0.9112
129 6C8 0.9112
130 X6W 0.9111
131 2PK 0.9111
132 VM1 0.9111
133 FMQ 0.9108
134 II4 0.9108
135 IIH 0.9108
136 1FL 0.9107
137 SX2 0.9106
138 0SY 0.9106
139 KLS 0.9104
140 GOE 0.9104
141 NE2 0.9101
142 5WK 0.9101
143 S8P 0.9100
144 7KE 0.9099
145 9CE 0.9098
146 Y3L 0.9098
147 PJK 0.9098
148 6C4 0.9097
149 HH6 0.9095
150 D8Q 0.9094
151 90G 0.9094
152 2QV 0.9093
153 KWB 0.9093
154 1V1 0.9093
155 RA7 0.9092
156 D25 0.9092
157 DTR 0.9092
158 ITE 0.9089
159 TIZ 0.9089
160 Z3R 0.9088
161 2JX 0.9087
162 NKI 0.9086
163 LFQ 0.9085
164 7FZ 0.9085
165 SSY 0.9083
166 5S9 0.9082
167 A73 0.9082
168 D9Z 0.9081
169 EMF 0.9080
170 Q9T 0.9080
171 MR6 0.9078
172 4GU 0.9077
173 WG8 0.9076
174 JVD 0.9074
175 AJG 0.9073
176 LR8 0.9073
177 6FB 0.9072
178 JWS 0.9070
179 3D8 0.9070
180 245 0.9068
181 WA1 0.9067
182 JGY 0.9066
183 7O4 0.9064
184 121 0.9058
185 AJ1 0.9058
186 RGK 0.9057
187 6C9 0.9054
188 Q92 0.9051
189 ZRK 0.9051
190 2PV 0.9048
191 EQW 0.9046
192 AV4 0.9046
193 QIV 0.9046
194 5TT 0.9045
195 YE7 0.9044
196 2J1 0.9043
197 HNT 0.9043
198 GF7 0.9043
199 T21 0.9042
200 4UM 0.9042
201 1V8 0.9041
202 LVY 0.9041
203 NFZ 0.9040
204 JCZ 0.9039
205 TRP 0.9038
206 GVY 0.9036
207 EEK 0.9034
208 LJ5 0.9034
209 TVC 0.9030
210 FQX 0.9030
211 DXK 0.9029
212 2P3 0.9029
213 0ON 0.9029
214 3F4 0.9027
215 LZ4 0.9026
216 C82 0.9025
217 36M 0.9023
218 1DR 0.9022
219 120 0.9022
220 RSV 0.9022
221 C9M 0.9021
222 7ZO 0.9021
223 6FX 0.9020
224 9FG 0.9020
225 FY8 0.9019
226 A45 0.9018
227 E3X 0.9014
228 4V2 0.9013
229 SZ5 0.9013
230 6P3 0.9013
231 L22 0.9011
232 ELH 0.9011
233 LL1 0.9010
234 3D1 0.9009
235 5ZM 0.9008
236 XCG 0.9007
237 DUR 0.9007
238 S0A 0.9007
239 1HR 0.9006
240 BMZ 0.9004
241 VGS 0.9003
242 H75 0.9002
243 UN3 0.9001
244 7L4 0.9001
245 18E 0.9000
246 CR4 0.9000
247 MMJ 0.8999
248 4Z1 0.8998
249 C0W 0.8997
250 A51 0.8997
251 TMG 0.8994
252 RUG 0.8992
253 RK4 0.8992
254 5O6 0.8991
255 4HB 0.8991
256 27K 0.8990
257 J38 0.8990
258 DX2 0.8988
259 P4L 0.8988
260 G2V 0.8988
261 Q0K 0.8985
262 MKN 0.8985
263 FYR 0.8984
264 WLH 0.8983
265 25F 0.8982
266 FF2 0.8981
267 0NJ 0.8980
268 CUQ 0.8978
269 D2G 0.8977
270 47V 0.8977
271 S7S 0.8976
272 39R 0.8975
273 THM 0.8974
274 CBE 0.8973
275 3SU 0.8972
276 3AD 0.8970
277 TVZ 0.8970
278 37E 0.8968
279 5SJ 0.8967
280 ZYC 0.8964
281 MHB 0.8963
282 F40 0.8962
283 2UD 0.8961
284 U12 0.8961
285 1A5 0.8959
286 LIG 0.8959
287 TIA 0.8958
288 FER 0.8958
289 JAH 0.8957
290 5AD 0.8956
291 MD6 0.8955
292 EQU 0.8953
293 4HG 0.8952
294 6DQ 0.8951
295 5GV 0.8951
296 49P 0.8951
297 JGB 0.8950
298 NIR 0.8949
299 S8G 0.8947
300 2FX 0.8946
301 122 0.8946
302 3N0 0.8942
303 JL7 0.8942
304 1ZC 0.8942
305 X48 0.8941
306 GJG 0.8937
307 97K 0.8935
308 ZEA 0.8934
309 A63 0.8934
310 LJ4 0.8934
311 C0H 0.8933
312 KW7 0.8931
313 D1G 0.8931
314 I2E 0.8929
315 363 0.8929
316 BP7 0.8928
317 7FU 0.8928
318 A7Q 0.8928
319 68C 0.8927
320 0OK 0.8926
321 EAJ 0.8925
322 NQ7 0.8923
323 ZTW 0.8923
324 1EB 0.8921
325 27F 0.8921
326 GB5 0.8920
327 EAT 0.8919
328 27M 0.8919
329 EST 0.8918
330 SNV 0.8917
331 5F5 0.8917
332 DBE 0.8914
333 H4B 0.8912
334 A6Z 0.8911
335 6JM 0.8910
336 GT4 0.8909
337 SNJ 0.8909
338 SJR 0.8909
339 VFM 0.8909
340 124 0.8909
341 PQM 0.8909
342 BIK 0.8908
343 1FE 0.8907
344 BIO 0.8905
345 1KN 0.8905
346 P93 0.8905
347 SOJ 0.8905
348 XDN XYP 0.8903
349 XYP XDN 0.8903
350 LR2 0.8900
351 MJW 0.8900
352 RKV 0.8899
353 8YH 0.8897
354 XYP XYP 0.8897
355 PZX 0.8896
356 LEL 0.8895
357 PQS 0.8894
358 FCW 0.8894
359 BBY 0.8894
360 YZ9 0.8893
361 08C 0.8893
362 IQW 0.8892
363 397 0.8892
364 ESJ 0.8890
365 6QT 0.8889
366 FZM 0.8889
367 N9J 0.8888
368 XDL XYP 0.8888
369 DT7 0.8887
370 UKV 0.8886
371 LO1 0.8885
372 VM7 0.8885
373 H2B 0.8884
374 K7H 0.8883
375 BBP 0.8882
376 4RG 0.8880
377 DAH 0.8877
378 AP6 0.8877
379 4EU 0.8872
380 QME 0.8871
381 KMY 0.8870
382 0FR 0.8870
383 H4E 0.8870
384 NFL 0.8870
385 ZHA 0.8869
386 4NR 0.8869
387 1V4 0.8869
388 1V3 0.8869
389 KU1 0.8867
390 PE2 0.8865
391 L15 0.8864
392 DDC 0.8864
393 7MW 0.8864
394 M78 0.8862
395 4Z9 0.8862
396 6SD 0.8862
397 NPX 0.8861
398 SQM 0.8859
399 TYR 0.8857
400 3CX 0.8857
401 6BK 0.8856
402 CX6 0.8854
403 ADN 0.8854
404 IWT 0.8852
405 PCQ 0.8852
406 A8D 0.8851
407 MT6 0.8849
408 3C5 0.8849
409 LI7 0.8849
410 0OY 0.8848
411 4FP 0.8848
412 SU9 0.8847
413 2GQ 0.8847
414 HRD 0.8846
415 D64 0.8846
416 H35 0.8846
417 ARJ 0.8843
418 NOC 0.8843
419 205 0.8843
420 XYS XYP 0.8843
421 MQS 0.8842
422 E9S 0.8841
423 U7E 0.8840
424 RF2 0.8838
425 TPM 0.8838
426 OA1 0.8837
427 S60 0.8837
428 D26 0.8834
429 3XH 0.8834
430 FLF 0.8834
431 WCU 0.8832
432 6DH 0.8832
433 5NN 0.8831
434 ZRL 0.8830
435 39Z 0.8830
436 1Q4 0.8830
437 EAE 0.8829
438 TB8 0.8829
439 0MB 0.8829
440 ZSP 0.8828
441 5TY 0.8827
442 4BX 0.8826
443 5OR 0.8825
444 11X 0.8825
445 1Q2 0.8824
446 0RY 0.8821
447 AOY 0.8820
448 ENO 0.8820
449 TID 0.8819
450 4FC 0.8818
451 S7D 0.8818
452 XIL 0.8818
453 0DJ 0.8817
454 UN9 0.8816
455 M3W 0.8815
456 NAL 0.8814
457 3IP 0.8814
458 VFG 0.8814
459 DHC 0.8812
460 20N 0.8811
461 EWG 0.8810
462 BQ2 0.8810
463 2WU 0.8809
464 5F1 0.8807
465 XDK 0.8807
466 9BF 0.8807
467 EES 0.8807
468 S98 0.8807
469 1UZ 0.8806
470 STL 0.8806
471 J3Z 0.8805
472 RAY 0.8804
473 4XF 0.8804
474 4FE 0.8803
475 VFJ 0.8803
476 3D3 0.8800
477 492 0.8800
478 D1Y 0.8798
479 GO2 0.8797
480 1A7 0.8796
481 IPJ 0.8796
482 IMK 0.8794
483 2GD 0.8792
484 DFV 0.8791
485 CDJ 0.8788
486 IOP 0.8788
487 53X 0.8788
488 LC1 0.8785
489 3VS 0.8785
490 NRA 0.8784
491 5TU 0.8783
492 W8L 0.8782
493 JRO 0.8782
494 7G0 0.8780
495 5DE 0.8779
496 K80 0.8779
497 9NB 0.8778
498 AZZ 0.8777
499 CZ0 0.8776
500 V2Z 0.8775
501 AV7 0.8773
502 7MX 0.8772
503 CUE 0.8772
504 E9L 0.8772
505 8M5 0.8771
506 HX4 0.8771
507 Z70 0.8769
508 OJD 0.8766
509 XYS XYS 0.8766
510 XYP XIF 0.8766
511 XIF XYP 0.8766
512 AO 0.8764
513 RDV 0.8764
514 88X 0.8760
515 S62 0.8760
516 KF5 0.8757
517 BGU 0.8757
518 S45 0.8757
519 ESR 0.8757
520 15Q 0.8756
521 H2W 0.8755
522 WV7 0.8755
523 1BW 0.8754
524 8V8 0.8754
525 3QV 0.8753
526 FBC 0.8752
527 MUK 0.8752
528 5P3 0.8752
529 1EL 0.8751
530 HBI 0.8751
531 802 0.8750
532 CK2 0.8749
533 041 0.8748
534 9UL 0.8748
535 N0Z 0.8747
536 83D 0.8746
537 NIY 0.8746
538 4AB 0.8746
539 GZV 0.8745
540 1OT 0.8745
541 5BX 0.8745
542 3GX 0.8744
543 5M2 0.8741
544 91F 0.8741
545 60L 0.8738
546 RPN 0.8737
547 2UV 0.8736
548 DBS 0.8735
549 KYN 0.8734
550 VT3 0.8733
551 GJK 0.8733
552 6VW 0.8730
553 LWA 0.8729
554 BZQ 0.8729
555 CK1 0.8728
556 RYV 0.8728
557 BSU 0.8728
558 P1J 0.8727
559 52F 0.8727
560 ESZ 0.8725
561 MTA 0.8724
562 3WL 0.8722
563 79W 0.8720
564 B4L 0.8719
565 EV2 0.8718
566 6L6 0.8718
567 SWX 0.8716
568 0LA 0.8716
569 613 0.8716
570 KP2 0.8714
571 C53 0.8714
572 108 0.8712
573 NE1 0.8712
574 3L1 0.8710
575 7N8 0.8710
576 LU2 0.8709
577 LTN 0.8707
578 RDM 0.8707
579 ISC 0.8703
580 6JO 0.8703
581 3RP 0.8702
582 N18 0.8701
583 X0U 0.8700
584 EZL 0.8700
585 STV 0.8700
586 7PJ 0.8700
587 EFX 0.8698
588 ANC 0.8698
589 MBT 0.8697
590 4BY 0.8696
591 LJ3 0.8696
592 2GE 0.8696
593 BX4 0.8695
594 4BL 0.8695
595 A5Q 0.8693
596 FT6 0.8693
597 SQV 0.8693
598 3DE 0.8693
599 BZC 0.8693
600 HWB 0.8692
601 3ZB 0.8692
602 BHS 0.8692
603 103 0.8690
604 4Z3 0.8690
605 GB4 0.8690
606 MQR 0.8689
607 4I8 0.8687
608 3MI 0.8686
609 SB7 0.8686
610 3Q0 0.8685
611 5WW 0.8684
612 NIF 0.8684
613 E6Q 0.8684
614 AQN 0.8684
615 DE7 0.8683
616 4P9 0.8683
617 G1L 0.8680
618 AD6 0.8680
619 EMU 0.8679
620 F02 0.8677
621 ZME 0.8675
622 6KT 0.8674
623 3VX 0.8672
624 QR2 0.8671
625 CHQ 0.8671
626 5XL 0.8670
627 BZJ 0.8669
628 IEE 0.8665
629 AGI 0.8665
630 6F3 0.8661
631 19E 0.8661
632 HHB 0.8658
633 549 0.8657
634 0SX 0.8657
635 U55 0.8657
636 GZ2 0.8655
637 OUG 0.8655
638 LFN 0.8655
639 OUA 0.8654
640 A98 0.8654
641 338 0.8653
642 R18 0.8653
643 A9E 0.8651
644 NU3 0.8650
645 2QC 0.8649
646 0QV 0.8646
647 1V0 0.8646
648 5WT 0.8645
649 ZIP 0.8644
650 PMM 0.8640
651 N91 0.8640
652 FNT 0.8639
653 DHT 0.8638
654 EN1 0.8638
655 IS2 0.8638
656 B23 0.8638
657 ZYQ 0.8638
658 HC4 0.8635
659 NPS 0.8635
660 RFZ 0.8634
661 CDY 0.8632
662 26C 0.8632
663 CNI 0.8631
664 IXM 0.8629
665 34L 0.8625
666 96Z 0.8625
667 7VP 0.8624
668 BIH 0.8623
669 6WU 0.8622
670 LVD 0.8617
671 QTD 0.8616
672 HL6 0.8615
673 K0G 0.8614
674 A64 0.8614
675 1UT 0.8614
676 PIT 0.8613
677 BZE 0.8613
678 5SD 0.8612
679 4MP 0.8611
680 90M 0.8609
681 TCC 0.8609
682 LJ2 0.8608
683 AZC 0.8607
684 8UY 0.8606
685 UNJ 0.8605
686 Q7U 0.8605
687 3R4 0.8603
688 57D 0.8600
689 AN3 0.8600
690 4AJ 0.8597
691 92O 0.8597
692 1UR 0.8593
693 IXG 0.8592
694 DRG 0.8590
695 VUP 0.8589
696 QUE 0.8588
697 BGK 0.8588
698 OX2 0.8587
699 FT2 0.8587
700 GNV 0.8586
701 LJ1 0.8586
702 0X2 0.8585
703 RKY 0.8584
704 A4D 0.8580
705 5GT 0.8576
706 C4F 0.8575
707 5R9 0.8573
708 6ZW 0.8573
709 797 0.8572
710 5KN 0.8569
711 IPO 0.8568
712 NXB 0.8568
713 P80 0.8567
714 P81 0.8567
715 1PS 0.8565
716 TES 0.8564
717 AZM 0.8563
718 NOS 0.8563
719 NVS 0.8563
720 17M 0.8560
721 NAR 0.8557
722 3JC 0.8557
723 RDT 0.8554
724 6T5 0.8550
725 KWD 0.8549
726 EDG AHR 0.8549
727 X11 0.8547
728 N7I 0.8544
729 NW1 0.8543
730 IW4 0.8542
731 9KZ 0.8541
732 UL1 0.8540
733 6ZE 0.8532
734 8GP 0.8529
735 6PG 0.8526
736 S8D 0.8522
Ligand no: 2; Ligand: 1DZ; Similar ligands found: 35
No: Ligand Similarity coefficient
1 KLB 0.9558
2 GOH 0.9293
3 1ZQ 0.9158
4 2RN 0.9094
5 FRZ 0.9087
6 KDK 0.9075
7 580 0.9043
8 5G5 0.9034
9 M2N 0.9017
10 K92 0.9013
11 T4E 0.8996
12 LM3 0.8982
13 K6Z 0.8968
14 7G5 0.8953
15 LZL 0.8946
16 57Q 0.8935
17 YGL 0.8924
18 VX3 0.8917
19 FPH 0.8916
20 5G7 0.8906
21 5DJ 0.8847
22 M4V 0.8844
23 YJD 0.8840
24 UIH 0.8828
25 9GZ 0.8809
26 K6T 0.8792
27 5G4 0.8769
28 KB8 0.8749
29 5G3 0.8728
30 TPF 0.8702
31 EVU 0.8660
32 7FL 0.8633
33 QVK 0.8631
34 5J2 0.8611
35 18F 0.8610
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4IPH; Ligand: 1FJ; 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: 4iph.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4IPH; Ligand: 1FJ; 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: 4iph.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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