Receptor
PDB id Resolution Class Description Source Keywords
6GMR 1.75 Å NON-ENZYME: OTHER PVHL:ELOB:ELOC IN COMPLEX WITH (4-(1H-PYRROL-1-YL)PHENYL)MET HOMO SAPIENS E3 UBIQUITIN LIGASE VON HIPPEL LINDAU TUMOR SUPRESSOR PROTFRAGMENT-BASED DRUG DISCOVERY LIGASE
Ref.: SURFACE PROBING BY FRAGMENT-BASED SCREENING AND COMPUTATIONAL METHODS IDENTIFIES LIGANDABLE POCKETS VON HIPPEL-LINDAU (VHL) E3 UBIQUITIN LIGASE. J. MED. CHEM. V. 61 7387 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
F4K V:301;
 Valid;
 none;
 submit data
173.211 C11 H11 N O c1ccn...
GOL V:302;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
SO4 B:201;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6GMR 1.75 Å NON-ENZYME: OTHER PVHL:ELOB:ELOC IN COMPLEX WITH (4-(1H-PYRROL-1-YL)PHENYL)MET HOMO SAPIENS E3 UBIQUITIN LIGASE VON HIPPEL LINDAU TUMOR SUPRESSOR PROTFRAGMENT-BASED DRUG DISCOVERY LIGASE
Ref.: SURFACE PROBING BY FRAGMENT-BASED SCREENING AND COMPUTATIONAL METHODS IDENTIFIES LIGANDABLE POCKETS VON HIPPEL-LINDAU (VHL) E3 UBIQUITIN LIGASE. J. MED. CHEM. V. 61 7387 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6GMR - F4K C11 H11 N O c1ccn(c1)c....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6GMR - F4K C11 H11 N O c1ccn(c1)c....
2 4B9K Ki = 0.67 uM TG0 C24 H26 N4 O3 S Cc1c(cccc1....
3 4BKS Kd = 150 uM X6C C17 H19 N3 O4 CC(=O)N1C[....
4 6HR2 - FWZ C49 H58 F N9 O6 S Cc1c(scn1)....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6GMR - F4K C11 H11 N O c1ccn(c1)c....
2 4B9K Ki = 0.67 uM TG0 C24 H26 N4 O3 S Cc1c(cccc1....
3 4BKS Kd = 150 uM X6C C17 H19 N3 O4 CC(=O)N1C[....
4 6HR2 - FWZ C49 H58 F N9 O6 S Cc1c(scn1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: F4K; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 F4K 1 1
2 SNU 0.485714 0.6875
Similar Ligands (3D)
Ligand no: 1; Ligand: F4K; Similar ligands found: 744
No: Ligand Similarity coefficient
1 2QC 0.9869
2 MSR 0.9761
3 CPZ 0.9756
4 80G 0.9739
5 36Y 0.9727
6 JAH 0.9716
7 TZF 0.9704
8 OQC 0.9699
9 0NX 0.9671
10 SWX 0.9658
11 I3E 0.9653
12 C1M 0.9640
13 A5E 0.9626
14 VC3 0.9596
15 3VS 0.9580
16 492 0.9570
17 PQS 0.9559
18 6SD 0.9542
19 5LA 0.9532
20 92G 0.9527
21 PH3 0.9518
22 HNH 0.9509
23 KTJ 0.9504
24 1Z6 0.9484
25 TYR 0.9482
26 N4E 0.9479
27 C53 0.9478
28 FMQ 0.9467
29 54E 0.9464
30 L15 0.9462
31 ANN 0.9460
32 6P3 0.9455
33 UNJ 0.9448
34 P81 0.9447
35 TYL 0.9442
36 9FH 0.9433
37 8D6 0.9431
38 XCG 0.9430
39 3ZB 0.9429
40 ODK 0.9418
41 LR8 0.9409
42 6KT 0.9402
43 1FD 0.9400
44 5TT 0.9396
45 FZM 0.9378
46 PNZ 0.9369
47 50C 0.9368
48 3VQ 0.9365
49 HC4 0.9364
50 PQM 0.9360
51 X48 0.9353
52 SNO 0.9353
53 G14 0.9348
54 KLE 0.9344
55 X0U 0.9342
56 TMG 0.9340
57 BP7 0.9336
58 LO1 0.9335
59 4I8 0.9335
60 JMG 0.9335
61 BPN 0.9332
62 E3X 0.9330
63 HX4 0.9329
64 C82 0.9322
65 HNK 0.9318
66 A7N 0.9315
67 HNL 0.9313
68 ZZA 0.9312
69 AMH 0.9306
70 QBP 0.9305
71 RKN 0.9303
72 RNO 0.9302
73 363 0.9299
74 HNT 0.9298
75 88L 0.9296
76 OTR 0.9286
77 ENO 0.9285
78 JBZ 0.9279
79 4BY 0.9275
80 7VP 0.9273
81 BNL 0.9271
82 RA7 0.9271
83 GVY 0.9269
84 HXY 0.9265
85 L14 0.9262
86 EN1 0.9259
87 DVQ 0.9256
88 B1J 0.9255
89 6FB 0.9252
90 BVA 0.9245
91 AWE 0.9243
92 SNV 0.9240
93 1A5 0.9237
94 A7H 0.9237
95 7O4 0.9236
96 LLH 0.9235
97 9NB 0.9233
98 5H6 0.9232
99 PIM 0.9232
100 3W8 0.9231
101 F4E 0.9231
102 AES 0.9229
103 EE8 0.9227
104 GF4 0.9221
105 BZ2 0.9218
106 SN4 0.9217
107 94W 0.9215
108 SQ7 0.9212
109 GZ2 0.9211
110 HL4 0.9209
111 QIV 0.9208
112 FYR 0.9208
113 KDG 0.9207
114 8NB 0.9206
115 UA5 0.9205
116 AOT 0.9204
117 A5Q 0.9203
118 4BF 0.9202
119 ICB 0.9201
120 NAG 0.9200
121 S0E 0.9199
122 4BL 0.9197
123 5O6 0.9192
124 J6W 0.9189
125 4NM 0.9187
126 CFA 0.9185
127 CWJ 0.9184
128 ESX 0.9184
129 PUE 0.9183
130 DTY 0.9181
131 657 0.9178
132 HIC 0.9175
133 GO2 0.9174
134 KBZ 0.9169
135 KLS 0.9168
136 795 0.9168
137 A6Z 0.9158
138 DZA 0.9157
139 AU8 0.9156
140 4NB 0.9156
141 4NP 0.9154
142 2BX 0.9152
143 PPY 0.9151
144 ODO 0.9150
145 4LW 0.9149
146 K4V 0.9147
147 4BZ 0.9147
148 E7S 0.9147
149 4JC 0.9146
150 PIY 0.9146
151 7MW 0.9145
152 EQW 0.9144
153 PFF 0.9142
154 L1T 0.9139
155 M4N 0.9137
156 MPK 0.9134
157 4HB 0.9131
158 ALE 0.9131
159 DPN 0.9125
160 9R5 0.9122
161 A4N 0.9121
162 QME 0.9118
163 72D 0.9117
164 GWM 0.9116
165 LR5 0.9115
166 8V8 0.9111
167 2FX 0.9107
168 HIS 0.9105
169 52C 0.9105
170 YZM 0.9103
171 TRP 0.9102
172 CH9 0.9100
173 N2Z 0.9097
174 3R4 0.9097
175 J9Q 0.9094
176 S0D 0.9092
177 2PK 0.9092
178 5OO 0.9091
179 8CC 0.9088
180 2PV 0.9087
181 0HN 0.9087
182 6FZ 0.9087
183 HHH 0.9087
184 3AE 0.9087
185 M4S 0.9086
186 TYC 0.9086
187 0BP 0.9084
188 FDR 0.9082
189 AN3 0.9082
190 L13 0.9079
191 FBF 0.9079
192 1F1 0.9078
193 FTV 0.9077
194 ZEC 0.9074
195 2D2 0.9074
196 PHI 0.9072
197 56D 0.9072
198 8WO 0.9071
199 A9K 0.9071
200 SOJ 0.9070
201 X6W 0.9070
202 36E 0.9070
203 428 0.9068
204 Y3L 0.9068
205 TCA 0.9066
206 LNR 0.9065
207 TID 0.9064
208 D2G 0.9064
209 IPO 0.9063
210 4WL 0.9063
211 F02 0.9062
212 K80 0.9057
213 259 0.9057
214 HDH 0.9057
215 FHC 0.9055
216 4MB 0.9051
217 IWT 0.9050
218 MS9 0.9050
219 DDU 0.9050
220 LJ3 0.9049
221 4V2 0.9048
222 HRM 0.9048
223 XIZ 0.9046
224 S7J 0.9044
225 2P3 0.9044
226 XDK 0.9044
227 A4T 0.9043
228 36M 0.9042
229 JA5 0.9041
230 KW7 0.9040
231 7FU 0.9039
232 A98 0.9038
233 97T 0.9038
234 0JD 0.9035
235 0HO 0.9035
236 PNP 0.9035
237 4CF 0.9035
238 3NY 0.9034
239 EUE 0.9030
240 SQ4 0.9029
241 0UL 0.9028
242 54Z 0.9024
243 6ZX 0.9023
244 K82 0.9023
245 4CM 0.9022
246 AEG 0.9020
247 HWD 0.9020
248 S7S 0.9020
249 4NS 0.9019
250 N3W 0.9018
251 1A7 0.9018
252 D3G 0.9015
253 3VX 0.9013
254 27K 0.9013
255 4JE 0.9013
256 15N 0.9012
257 PO6 0.9010
258 86L 0.9010
259 2F6 0.9009
260 NK5 0.9008
261 4P5 0.9008
262 GJP 0.9007
263 9H2 0.9007
264 4NZ 0.9007
265 PCS 0.9006
266 4JQ 0.9004
267 3C4 0.9004
268 K7H 0.9003
269 GVG 0.9003
270 NFM 0.9002
271 EYV 0.9002
272 4FE 0.9002
273 JF6 0.9000
274 HJH 0.8999
275 TGX 0.8999
276 TZM 0.8998
277 MP5 0.8996
278 5NI 0.8995
279 HPP 0.8995
280 4YO 0.8994
281 KMY 0.8992
282 RKV 0.8991
283 YRL 0.8991
284 RSV 0.8990
285 6TZ 0.8990
286 BQ2 0.8990
287 Z13 0.8990
288 6NT 0.8988
289 4LV 0.8988
290 2ZM 0.8988
291 6NI 0.8987
292 64Z 0.8986
293 NY4 0.8984
294 833 0.8982
295 4AF 0.8981
296 4FA 0.8981
297 2JX 0.8980
298 12T 0.8980
299 JRB 0.8977
300 NGA 0.8976
301 8ZE 0.8975
302 BGU 0.8975
303 AMS 0.8973
304 ZYX 0.8973
305 NFA 0.8972
306 613 0.8972
307 R20 0.8972
308 2HC 0.8972
309 N91 0.8971
310 LQ2 0.8970
311 J9N 0.8970
312 LOT 0.8967
313 1KN 0.8966
314 DHC 0.8966
315 K3D 0.8964
316 OHJ 0.8963
317 TYE 0.8961
318 4ZA 0.8961
319 4HP 0.8960
320 BPY 0.8959
321 EUH 0.8959
322 E4P 0.8958
323 3XR 0.8958
324 AZM 0.8956
325 AAN 0.8955
326 M45 0.8955
327 D9Z 0.8953
328 14N 0.8953
329 MQN 0.8953
330 SW7 0.8952
331 RYV 0.8951
332 YI6 0.8949
333 1L5 0.8949
334 N2I 0.8948
335 Z82 0.8947
336 27B 0.8946
337 46P 0.8945
338 68B 0.8945
339 HHI 0.8944
340 PRL 0.8941
341 3W3 0.8939
342 LZ5 0.8938
343 P80 0.8935
344 L03 0.8935
345 NCT 0.8934
346 TSU 0.8934
347 OOG 0.8934
348 E5X 0.8934
349 CK2 0.8934
350 P9E 0.8933
351 9ZE 0.8932
352 SSC 0.8931
353 72E 0.8931
354 M5H 0.8931
355 9CA 0.8926
356 AM4 0.8925
357 HQJ 0.8925
358 RUY 0.8923
359 2K8 0.8923
360 L99 0.8922
361 S0W 0.8922
362 3A9 0.8921
363 EVF 0.8919
364 A2G 0.8918
365 9FL 0.8918
366 I2E 0.8917
367 MAJ 0.8915
368 PHE 0.8914
369 IAC 0.8913
370 LL1 0.8912
371 LVD 0.8912
372 PHB 0.8911
373 PAB 0.8910
374 5E5 0.8909
375 PTB 0.8908
376 DHB 0.8907
377 0FR 0.8906
378 6HO 0.8906
379 DJN 0.8906
380 GB5 0.8906
381 JLZ 0.8904
382 L5V 0.8903
383 BRH 0.8902
384 THA 0.8898
385 JDN 0.8897
386 2O8 0.8897
387 STX 0.8897
388 ESP 0.8895
389 0OK 0.8892
390 4MA 0.8892
391 HBD 0.8892
392 H4E 0.8892
393 CXH 0.8891
394 3W6 0.8890
395 IOS 0.8889
396 URO 0.8888
397 JCZ 0.8888
398 5DL 0.8887
399 PBZ 0.8887
400 4FF 0.8886
401 SKF 0.8884
402 2FY 0.8884
403 NDG 0.8882
404 0TU 0.8881
405 0OO 0.8880
406 2UB 0.8879
407 1IT 0.8879
408 650 0.8878
409 ESI 0.8877
410 AKG 0.8876
411 HHS 0.8875
412 TT4 0.8874
413 DE5 0.8873
414 HFA 0.8872
415 DHY 0.8872
416 N9J 0.8872
417 GT4 0.8872
418 TJM 0.8872
419 MTL 0.8870
420 4XF 0.8869
421 15E 0.8868
422 9FG 0.8867
423 6MW 0.8867
424 68A 0.8867
425 MPV 0.8866
426 NPO 0.8865
427 AHN 0.8864
428 1PS 0.8864
429 0F3 0.8863
430 IYR 0.8863
431 SJK 0.8862
432 3VW 0.8862
433 152 0.8860
434 HCI 0.8859
435 DHI 0.8858
436 GDL 0.8858
437 JAW 0.8858
438 TR4 0.8856
439 D1G 0.8853
440 ERZ 0.8853
441 AEF 0.8852
442 BZJ 0.8851
443 KP2 0.8850
444 E0O 0.8850
445 26C 0.8850
446 FCD 0.8846
447 AC6 0.8846
448 ABI 0.8845
449 H4B 0.8842
450 GCO 0.8842
451 2HU 0.8840
452 DAH 0.8840
453 K2T 0.8839
454 8XL 0.8839
455 FF2 0.8837
456 E1T 0.8836
457 BFL 0.8835
458 J2P 0.8834
459 EXD 0.8834
460 X0V 0.8832
461 JB8 0.8832
462 61M 0.8829
463 9UL 0.8829
464 W29 0.8828
465 4RU 0.8828
466 M1T 0.8825
467 1Y6 0.8824
468 1WC 0.8823
469 5TY 0.8823
470 ONR 0.8822
471 PH2 0.8821
472 TIH 0.8821
473 P72 0.8821
474 KYN 0.8821
475 4TU 0.8819
476 Z70 0.8818
477 GOE 0.8818
478 DC5 0.8814
479 ES2 0.8814
480 SLS 0.8814
481 K7M 0.8811
482 SOR 0.8811
483 GB4 0.8810
484 LFQ 0.8810
485 BBK 0.8809
486 FHV 0.8806
487 TOH 0.8804
488 7N8 0.8804
489 KDV 0.8803
490 PPN 0.8803
491 5GV 0.8802
492 R52 0.8802
493 R5P 0.8802
494 6RQ 0.8800
495 INO 0.8798
496 78Y 0.8798
497 R2P 0.8797
498 A7K 0.8797
499 2HO 0.8796
500 4J8 0.8796
501 LGT 0.8796
502 CLW 0.8795
503 1EB 0.8793
504 YIE 0.8792
505 FBB 0.8791
506 EZL 0.8791
507 1VK 0.8791
508 ZRK 0.8789
509 CC5 0.8789
510 BX4 0.8788
511 DEZ 0.8787
512 549 0.8786
513 0ON 0.8785
514 AVX 0.8785
515 FCW 0.8783
516 DRG 0.8783
517 P7Y 0.8782
518 OGA 0.8782
519 1M2 0.8780
520 H75 0.8780
521 4NC 0.8779
522 ITE 0.8779
523 XIY 0.8778
524 AJ1 0.8778
525 ST3 0.8778
526 S7V 0.8778
527 DCZ 0.8777
528 GZQ 0.8777
529 FWD 0.8777
530 Y0V 0.8776
531 0SY 0.8776
532 826 0.8775
533 ET2 0.8774
534 4AA 0.8774
535 WCU 0.8772
536 M78 0.8771
537 ZYR 0.8771
538 MMS 0.8771
539 EV2 0.8770
540 SYD 0.8770
541 174 0.8770
542 HBO 0.8768
543 8NX 0.8768
544 TB8 0.8766
545 7EH 0.8766
546 MD6 0.8766
547 S60 0.8766
548 5GT 0.8765
549 YE6 0.8765
550 HL6 0.8764
551 SAN 0.8764
552 XI7 0.8764
553 2HG 0.8763
554 CCU 0.8763
555 MYJ 0.8763
556 WA1 0.8762
557 1HN 0.8761
558 ZHA 0.8761
559 CWD 0.8760
560 P4L 0.8760
561 DUR 0.8760
562 D8Q 0.8759
563 42J 0.8758
564 5VM 0.8757
565 FBS 0.8756
566 5AD 0.8756
567 QBS 0.8756
568 36R 0.8755
569 IHB 0.8754
570 2B4 0.8753
571 Q06 0.8751
572 HJ7 0.8750
573 XRS 0.8748
574 OLU 0.8746
575 5S9 0.8746
576 IFP 0.8746
577 89J 0.8746
578 HA5 0.8746
579 0DF 0.8745
580 N2Y 0.8743
581 5RP 0.8742
582 FUD 0.8741
583 K48 0.8741
584 3QV 0.8740
585 FHB 0.8740
586 A7Q 0.8739
587 CHB 0.8739
588 RP3 0.8737
589 FCR 0.8736
590 344 0.8736
591 4Z3 0.8734
592 7L4 0.8734
593 N0Z 0.8734
594 MXD 0.8733
595 1ZC 0.8732
596 1X4 0.8732
597 0F9 0.8731
598 PZM 0.8731
599 6FG 0.8728
600 THU 0.8727
601 173 0.8727
602 P9P 0.8726
603 6QF 0.8726
604 IWD 0.8724
605 ENW 0.8722
606 SSB 0.8718
607 0OL 0.8717
608 22L 0.8716
609 FA0 0.8715
610 F90 0.8715
611 CS2 0.8714
612 GLU 0.8714
613 BWD 0.8713
614 Y4L 0.8713
615 S2G 0.8711
616 1OS 0.8710
617 EAT 0.8708
618 A29 0.8707
619 L22 0.8707
620 ANC 0.8706
621 BBY 0.8705
622 ZSP 0.8705
623 ANF 0.8705
624 93K 0.8704
625 NNO 0.8704
626 WV7 0.8702
627 YPN 0.8702
628 2BG 0.8701
629 AAS 0.8699
630 HSO 0.8698
631 RES 0.8698
632 BC5 0.8697
633 X11 0.8696
634 OA1 0.8696
635 K34 0.8695
636 8W9 0.8694
637 6J5 0.8694
638 HHR 0.8693
639 5SP 0.8692
640 1XA 0.8691
641 A5P 0.8690
642 BZE 0.8689
643 N8Z 0.8689
644 A51 0.8688
645 AMR 0.8688
646 4A3 0.8686
647 AA 0.8686
648 535 0.8685
649 3HM 0.8685
650 GGB 0.8685
651 IOP 0.8684
652 4SX 0.8682
653 8OZ 0.8680
654 4BX 0.8679
655 HNM 0.8678
656 PAC 0.8678
657 2GQ 0.8676
658 LDP 0.8675
659 SKM 0.8674
660 S2P 0.8674
661 J1K 0.8673
662 A9P 0.8672
663 DER 0.8671
664 8U3 0.8671
665 92P 0.8670
666 5XB 0.8669
667 4AB 0.8669
668 4CN 0.8668
669 B2Y 0.8666
670 GLN 0.8665
671 0FK 0.8665
672 H2B 0.8664
673 PHU 0.8661
674 9TW 0.8661
675 EKZ 0.8660
676 92O 0.8658
677 QSB 0.8656
678 DGL 0.8656
679 V1T 0.8655
680 8YH 0.8655
681 VM1 0.8653
682 LEL 0.8650
683 5XC 0.8648
684 SHI 0.8648
685 4FH 0.8647
686 H42 0.8645
687 1CY 0.8643
688 NDD 0.8642
689 BP3 0.8641
690 ISZ 0.8641
691 ST2 0.8641
692 0K7 0.8640
693 DXP 0.8636
694 5GU 0.8636
695 S0A 0.8635
696 6C5 0.8634
697 VXX 0.8632
698 CFI 0.8631
699 2FT 0.8630
700 BNX 0.8630
701 1P8 0.8630
702 I1E 0.8629
703 MIL 0.8627
704 MAH 0.8626
705 GDE 0.8620
706 A4Q 0.8616
707 DHR 0.8615
708 HBI 0.8613
709 PJW 0.8612
710 9BF 0.8610
711 JGB 0.8610
712 NIZ 0.8610
713 MUK 0.8608
714 TWO 0.8606
715 K97 0.8606
716 CP6 0.8605
717 PIQ 0.8603
718 DHK 0.8603
719 5F5 0.8603
720 X1R 0.8602
721 9FE 0.8602
722 2O6 0.8601
723 VGD 0.8600
724 PBN 0.8592
725 URI 0.8588
726 M4E 0.8588
727 30G 0.8587
728 BEA 0.8584
729 M3E 0.8583
730 3PG 0.8582
731 86J 0.8581
732 9JT 0.8573
733 449 0.8572
734 A9B 0.8571
735 L1O 0.8569
736 CSN 0.8566
737 LR2 0.8560
738 JPQ 0.8556
739 BHS 0.8549
740 8HC 0.8544
741 FER 0.8537
742 44W 0.8532
743 N2M 0.8529
744 6C9 0.8524
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6GMR; Ligand: F4K; 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: 6gmr.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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