Receptor
PDB id Resolution Class Description Source Keywords
5G44 1.84 Å NON-ENZYME: SIGNAL_HORMONE LIGAND COMPLEX OF RORG LBD HOMO SAPIENS DNA BINDING PROTEIN RORG LIGAND FRAGMENT SCREEN STRUCTUREDESIGN SIMULTANEOUS BINDING
Ref.: FRAGMENT SCREENING OF RORGAMMAT USING COCKTAIL CRYSTALLOGRAPHY: IDENTIFICATION OF SIMULTANEOUS BIN MULTIPLE FRAGMENTS. CHEMMEDCHEM V. 11 1881 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS A:1514;
 Invalid;
 none;
 submit data
78.133 C2 H6 O S CS(=O...
SWX A:1511;
 Valid;
 none;
 submit data
186.21 C11 H10 N2 O c1cc(...
NA A:1513;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
YTZ A:1512;
 Valid;
 none;
 submit data
255.317 C9 H9 N3 O2 S2 c1cc(...
I6G A:1510;
 Valid;
 none;
 submit data
204.225 C11 H12 N2 O2 Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6ESN 1.84 Å NON-ENZYME: SIGNAL_HORMONE LIGAND COMPLEX OF RORG LBD HOMO SAPIENS RAR-RELATED ORPHAN RECEPTOR-G (RORG) TRANSCRIPTION RORG LISTRUCTURE-BASED DESIGN
Ref.: POTENT AND ORALLY BIOAVAILABLE INVERSE AGONISTS OF T RESULTING FROM STRUCTURE-BASED DESIGN. J. MED. CHEM. V. 61 7796 2018
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 5APH ic50 = 0.06 uM VYI C21 H18 F2 N2 O3 S c1ccc(c(c1....
2 6ESN ic50 = 0.009 uM BWE C24 H22 F N3 O5 S2 CCS(=O)(=O....
3 5APJ ic50 = 0.04 uM 76E C23 H17 Cl F4 N2 O4 S c1cc(cc(c1....
4 3KYT - HC2 C27 H46 O2 CC(C)CCC[C....
5 5G44 - SWX C11 H10 N2 O c1cc(ccc1C....
6 3L0L - HC3 C27 H46 O2 C[C@H](CCC....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 5NI7 ic50 = 0.02 uM 8Y8 C22 H20 N2 O4 S2 CCS(=O)(=O....
2 6R7K ic50 = 0.00000001 M JUH C27 H24 F6 N2 O5 S CCS(=O)(=O....
3 5NI8 ic50 = 0.02 uM 8Y2 C26 H24 N2 O4 S2 CCS(=O)(=O....
4 5NI5 ic50 = 0.009 uM 8YB C26 H20 Cl2 N2 O4 S2 CCS(=O)(=O....
5 5NIB ic50 = 0.019 uM 8Y5 C27 H23 N3 O4 S2 CCS(=O)(=O....
6 6R7A - JUE C24 H25 N3 O4 CC(C)c1ccc....
7 6R7J ic50 = 0.00000001 M JUN C21 H20 F6 N2 O5 S CCS(=O)(=O....
8 5APH ic50 = 0.06 uM VYI C21 H18 F2 N2 O3 S c1ccc(c(c1....
9 6ESN ic50 = 0.009 uM BWE C24 H22 F N3 O5 S2 CCS(=O)(=O....
10 5APJ ic50 = 0.04 uM 76E C23 H17 Cl F4 N2 O4 S c1cc(cc(c1....
11 3KYT - HC2 C27 H46 O2 CC(C)CCC[C....
12 5G44 - SWX C11 H10 N2 O c1cc(ccc1C....
13 3L0L - HC3 C27 H46 O2 C[C@H](CCC....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 5NI7 ic50 = 0.02 uM 8Y8 C22 H20 N2 O4 S2 CCS(=O)(=O....
2 6R7K ic50 = 0.00000001 M JUH C27 H24 F6 N2 O5 S CCS(=O)(=O....
3 5NI8 ic50 = 0.02 uM 8Y2 C26 H24 N2 O4 S2 CCS(=O)(=O....
4 5NI5 ic50 = 0.009 uM 8YB C26 H20 Cl2 N2 O4 S2 CCS(=O)(=O....
5 5NIB ic50 = 0.019 uM 8Y5 C27 H23 N3 O4 S2 CCS(=O)(=O....
6 6R7A - JUE C24 H25 N3 O4 CC(C)c1ccc....
7 6R7J ic50 = 0.00000001 M JUN C21 H20 F6 N2 O5 S CCS(=O)(=O....
8 4WPF ic50 = 0.25 uM 3SN C23 H28 F N3 O3 S CC(=O)N1CC....
9 1K4W - STE C18 H36 O2 CCCCCCCCCC....
10 1N4H Kd = 280 nM REA C20 H28 O2 CC1=C(C(CC....
11 5APH ic50 = 0.06 uM VYI C21 H18 F2 N2 O3 S c1ccc(c(c1....
12 6ESN ic50 = 0.009 uM BWE C24 H22 F N3 O5 S2 CCS(=O)(=O....
13 5APJ ic50 = 0.04 uM 76E C23 H17 Cl F4 N2 O4 S c1cc(cc(c1....
14 3KYT - HC2 C27 H46 O2 CC(C)CCC[C....
15 5G44 - SWX C11 H10 N2 O c1cc(ccc1C....
16 3L0L - HC3 C27 H46 O2 C[C@H](CCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SWX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 SWX 1 1
Ligand no: 2; Ligand: YTZ; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 YTZ 1 1
2 SFY 0.444444 0.851852
3 XTZ 0.417722 0.6375
4 LS4 0.413333 0.746269
Ligand no: 3; Ligand: I6G; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 I6G 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: SWX; Similar ligands found: 580
No: Ligand Similarity coefficient
1 JAH 0.9854
2 6SD 0.9798
3 2QC 0.9751
4 80G 0.9698
5 F4K 0.9658
6 6P3 0.9651
7 PQS 0.9619
8 VC3 0.9616
9 PQM 0.9595
10 AWE 0.9589
11 FZM 0.9584
12 C53 0.9569
13 36Y 0.9561
14 FMQ 0.9547
15 5TT 0.9546
16 54E 0.9546
17 CPZ 0.9536
18 L15 0.9532
19 OQC 0.9526
20 RA7 0.9515
21 92G 0.9513
22 BP7 0.9498
23 4FC 0.9496
24 X48 0.9476
25 FYR 0.9475
26 KLS 0.9468
27 SNU 0.9467
28 A5E 0.9461
29 XCG 0.9448
30 LR8 0.9442
31 MSR 0.9439
32 3VS 0.9429
33 HXY 0.9421
34 E3X 0.9411
35 2PV 0.9399
36 GVY 0.9398
37 TZF 0.9392
38 SNV 0.9389
39 72D 0.9385
40 6FB 0.9381
41 2PK 0.9373
42 1Z6 0.9371
43 LO1 0.9370
44 S0D 0.9361
45 3VQ 0.9354
46 363 0.9341
47 TMG 0.9335
48 LZ5 0.9328
49 TID 0.9325
50 613 0.9314
51 QME 0.9313
52 X0U 0.9303
53 ENO 0.9300
54 EN1 0.9297
55 G14 0.9292
56 M4N 0.9291
57 9FH 0.9290
58 TYR 0.9287
59 JCZ 0.9285
60 8D6 0.9283
61 B1J 0.9283
62 ZZA 0.9282
63 5LA 0.9279
64 PH3 0.9278
65 0NX 0.9274
66 A5Q 0.9268
67 0UL 0.9264
68 P81 0.9263
69 KTJ 0.9259
70 C82 0.9256
71 1A5 0.9251
72 833 0.9251
73 D2G 0.9245
74 492 0.9245
75 HC4 0.9237
76 EQW 0.9234
77 UNJ 0.9234
78 50C 0.9233
79 ODK 0.9231
80 8CC 0.9230
81 A6Z 0.9226
82 JMG 0.9224
83 JA5 0.9220
84 FBC 0.9218
85 GO2 0.9215
86 KLE 0.9207
87 HNT 0.9206
88 4HB 0.9203
89 3ZB 0.9203
90 8V8 0.9200
91 BNL 0.9199
92 HNK 0.9191
93 HNL 0.9190
94 QIV 0.9185
95 HX4 0.9183
96 PRL 0.9181
97 A5H 0.9173
98 QBP 0.9170
99 C1M 0.9167
100 HRM 0.9167
101 K7H 0.9165
102 SQ7 0.9162
103 SQ4 0.9158
104 BX4 0.9154
105 2FX 0.9149
106 JBZ 0.9145
107 GB5 0.9143
108 RKN 0.9143
109 SOJ 0.9141
110 LOT 0.9136
111 4I8 0.9134
112 4BY 0.9132
113 6KT 0.9130
114 9NB 0.9129
115 PPY 0.9129
116 CK2 0.9125
117 FCW 0.9120
118 HNH 0.9117
119 C0H 0.9117
120 5O6 0.9113
121 LJ3 0.9111
122 1KN 0.9110
123 A7H 0.9110
124 K80 0.9108
125 BVA 0.9105
126 4FF 0.9101
127 27K 0.9099
128 0BP 0.9099
129 7VP 0.9094
130 DTY 0.9093
131 HPP 0.9083
132 PUE 0.9083
133 CH9 0.9074
134 A98 0.9073
135 7EH 0.9073
136 6H2 0.9068
137 KF5 0.9065
138 EE8 0.9064
139 OLU 0.9063
140 ERZ 0.9060
141 GOE 0.9058
142 YE6 0.9058
143 Y3L 0.9057
144 5OO 0.9056
145 L03 0.9055
146 PCS 0.9054
147 NK5 0.9053
148 SYD 0.9050
149 IS2 0.9047
150 IWT 0.9044
151 TYC 0.9043
152 GT4 0.9043
153 ZRK 0.9041
154 2P3 0.9039
155 GZ2 0.9037
156 TYL 0.9035
157 PFF 0.9035
158 BFL 0.9033
159 1ZC 0.9030
160 ITE 0.9030
161 47V 0.9028
162 BQ2 0.9025
163 4BF 0.9022
164 X6W 0.9021
165 0SY 0.9020
166 PIQ 0.9019
167 A9K 0.9019
168 N4E 0.9017
169 I3E 0.9016
170 BVS 0.9015
171 N9J 0.9010
172 657 0.9008
173 4Z9 0.9007
174 4CF 0.9007
175 4LW 0.9004
176 S0E 0.9003
177 5VU 0.9002
178 7MW 0.9001
179 CFA 0.8999
180 4FE 0.8999
181 5B2 0.8997
182 BGU 0.8995
183 K4V 0.8994
184 2D2 0.8991
185 FHV 0.8991
186 RKV 0.8989
187 DHC 0.8984
188 5H6 0.8981
189 L2K 0.8980
190 TYE 0.8977
191 PHI 0.8977
192 MR6 0.8977
193 F4E 0.8976
194 WA1 0.8970
195 7KE 0.8969
196 5TU 0.8969
197 XDK 0.8968
198 S0W 0.8965
199 4LV 0.8965
200 F18 0.8964
201 78Y 0.8963
202 D9Z 0.8962
203 1FE 0.8961
204 XRS 0.8960
205 26C 0.8960
206 R9J 0.8959
207 92O 0.8959
208 PJW 0.8957
209 2WU 0.8955
210 5E5 0.8953
211 6MW 0.8951
212 A51 0.8951
213 4CN 0.8950
214 BZE 0.8950
215 KW7 0.8949
216 PIM 0.8945
217 GB4 0.8944
218 H75 0.8942
219 P7V 0.8941
220 FF2 0.8941
221 2JX 0.8940
222 AVX 0.8939
223 7FU 0.8939
224 L1T 0.8938
225 ZEC 0.8933
226 XIZ 0.8931
227 9JT 0.8930
228 7N8 0.8930
229 28A 0.8930
230 0DF 0.8930
231 0K7 0.8929
232 1Q1 0.8927
233 36M 0.8926
234 HWD 0.8924
235 F02 0.8924
236 1A7 0.8924
237 E0O 0.8924
238 68B 0.8922
239 88L 0.8922
240 J9N 0.8921
241 C4E 0.8920
242 4NP 0.8919
243 6DQ 0.8919
244 U13 0.8918
245 BPY 0.8918
246 P4T 0.8917
247 1VK 0.8917
248 FHC 0.8916
249 4G2 0.8915
250 GVI 0.8915
251 0ON 0.8914
252 S98 0.8914
253 FTV 0.8913
254 ESX 0.8912
255 KMY 0.8911
256 DAH 0.8910
257 4BL 0.8910
258 F40 0.8906
259 7O4 0.8905
260 P4L 0.8903
261 I2E 0.8903
262 A7N 0.8902
263 CBE 0.8901
264 AJG 0.8901
265 ALE 0.8900
266 UA5 0.8900
267 KDG 0.8899
268 RNO 0.8898
269 428 0.8898
270 5S9 0.8897
271 BZ2 0.8897
272 M3E 0.8895
273 J6W 0.8895
274 ZHA 0.8895
275 DDU 0.8895
276 LL1 0.8891
277 AN3 0.8887
278 HDH 0.8886
279 0FR 0.8884
280 OA1 0.8882
281 ICB 0.8881
282 A4N 0.8881
283 SNO 0.8880
284 1PS 0.8879
285 MMJ 0.8878
286 4AF 0.8877
287 795 0.8877
288 NY4 0.8877
289 J1K 0.8877
290 4V2 0.8877
291 AES 0.8876
292 PO6 0.8875
293 A9B 0.8875
294 NE2 0.8874
295 EUE 0.8872
296 AU8 0.8863
297 5TO 0.8863
298 397 0.8862
299 6FG 0.8859
300 A6W 0.8858
301 EZL 0.8857
302 CXH 0.8857
303 TJM 0.8854
304 THU 0.8851
305 4Z1 0.8847
306 YZM 0.8846
307 WV7 0.8846
308 N91 0.8846
309 TR4 0.8844
310 L22 0.8844
311 FDR 0.8842
312 AOT 0.8840
313 N9M 0.8840
314 3VX 0.8840
315 TCA 0.8840
316 6C8 0.8838
317 ZSP 0.8838
318 S7S 0.8836
319 JRB 0.8834
320 KYN 0.8833
321 WCU 0.8832
322 MXD 0.8832
323 6C5 0.8831
324 YZ9 0.8828
325 FCD 0.8827
326 NAG 0.8826
327 4XF 0.8825
328 K3D 0.8825
329 6ZX 0.8825
330 1EB 0.8823
331 HL6 0.8822
332 6FZ 0.8821
333 E7S 0.8820
334 H4B 0.8819
335 JFS 0.8816
336 BIO 0.8813
337 GVG 0.8812
338 W29 0.8811
339 4GU 0.8811
340 PQV 0.8808
341 MPK 0.8808
342 4BX 0.8806
343 4AB 0.8805
344 5WK 0.8800
345 PHE 0.8800
346 BZQ 0.8800
347 D25 0.8799
348 NFA 0.8799
349 Z70 0.8799
350 RES 0.8797
351 GF4 0.8796
352 M78 0.8796
353 CX6 0.8796
354 S0A 0.8795
355 PIY 0.8795
356 ANN 0.8795
357 2J1 0.8792
358 M3H 0.8791
359 HCI 0.8791
360 RQD 0.8790
361 64Z 0.8789
362 3R4 0.8788
363 PLP 0.8788
364 FLP 0.8787
365 2B4 0.8787
366 PNP 0.8785
367 1FD 0.8784
368 4MB 0.8782
369 4ZF 0.8782
370 L13 0.8781
371 ESP 0.8781
372 H2B 0.8780
373 HBI 0.8780
374 7EL 0.8775
375 4FP 0.8773
376 TB8 0.8771
377 P7Y 0.8771
378 PTB 0.8770
379 IPO 0.8770
380 TT4 0.8770
381 BBY 0.8770
382 6TZ 0.8769
383 MPV 0.8769
384 3W3 0.8768
385 MR4 0.8768
386 HL4 0.8766
387 S60 0.8765
388 LGT 0.8765
389 K82 0.8765
390 8NB 0.8765
391 68A 0.8764
392 AJ1 0.8764
393 9UL 0.8763
394 OJD 0.8761
395 NDD 0.8761
396 ZEA 0.8759
397 4NS 0.8758
398 OTR 0.8757
399 LR2 0.8756
400 J9Q 0.8755
401 3VW 0.8755
402 D8Q 0.8753
403 5VL 0.8752
404 J27 0.8751
405 61M 0.8749
406 5SJ 0.8749
407 P9E 0.8748
408 GWM 0.8747
409 MJW 0.8747
410 RYV 0.8747
411 M1T 0.8747
412 AHN 0.8746
413 MUK 0.8742
414 A7K 0.8741
415 28B 0.8740
416 5TY 0.8740
417 9FL 0.8738
418 P80 0.8738
419 TOH 0.8738
420 3Y7 0.8737
421 E4P 0.8737
422 3W6 0.8737
423 549 0.8736
424 HHS 0.8736
425 NFZ 0.8735
426 MP5 0.8735
427 CK1 0.8734
428 2O8 0.8733
429 1L5 0.8732
430 4NB 0.8732
431 FMH 0.8730
432 D26 0.8729
433 EES 0.8728
434 IYR 0.8726
435 HIS 0.8726
436 LQ2 0.8725
437 HBO 0.8725
438 9R5 0.8724
439 AMR 0.8721
440 1F1 0.8719
441 NCT 0.8718
442 2GQ 0.8718
443 D3G 0.8718
444 1XS 0.8716
445 JF8 0.8716
446 6C4 0.8715
447 9ZE 0.8715
448 1HP 0.8713
449 6HO 0.8713
450 ENW 0.8713
451 XI7 0.8712
452 72G 0.8710
453 TRP 0.8710
454 94W 0.8709
455 SJK 0.8705
456 JGB 0.8704
457 A7Q 0.8702
458 R20 0.8702
459 ZYX 0.8701
460 ZTW 0.8700
461 HFA 0.8691
462 5RP 0.8685
463 3N0 0.8684
464 5TZ 0.8682
465 1Q2 0.8682
466 DRG 0.8681
467 4JE 0.8681
468 36E 0.8681
469 HH6 0.8679
470 SQV 0.8678
471 3W8 0.8677
472 7L4 0.8677
473 5GV 0.8676
474 9CE 0.8675
475 ANC 0.8674
476 EUH 0.8673
477 ODO 0.8673
478 0NJ 0.8672
479 JPQ 0.8671
480 EVF 0.8671
481 UN3 0.8669
482 AMH 0.8668
483 RCV 0.8666
484 DXK 0.8665
485 M28 0.8665
486 K97 0.8665
487 SLS 0.8664
488 GO8 0.8662
489 VUP 0.8661
490 90M 0.8660
491 HDI 0.8660
492 CS2 0.8660
493 8YH 0.8659
494 HHH 0.8659
495 5AD 0.8656
496 SZ5 0.8654
497 A5P 0.8654
498 3SU 0.8653
499 NGA 0.8653
500 3A9 0.8652
501 G1L 0.8652
502 CHQ 0.8650
503 RUY 0.8648
504 801 0.8646
505 4NM 0.8645
506 25F 0.8642
507 NQ7 0.8640
508 2HC 0.8640
509 GJP 0.8639
510 3D8 0.8639
511 0F3 0.8637
512 LLH 0.8636
513 37E 0.8636
514 6QF 0.8636
515 GGB 0.8634
516 M45 0.8633
517 15N 0.8631
518 4MP 0.8630
519 7ZO 0.8630
520 121 0.8629
521 3F4 0.8628
522 HHB 0.8626
523 0XR 0.8625
524 1OT 0.8620
525 FQX 0.8620
526 LEL 0.8619
527 1WC 0.8618
528 120 0.8618
529 LNR 0.8618
530 EV2 0.8617
531 M4S 0.8616
532 9KZ 0.8616
533 TIA 0.8615
534 HQJ 0.8612
535 4NZ 0.8612
536 J38 0.8611
537 5SP 0.8609
538 DEZ 0.8607
539 LDC 0.8606
540 AOY 0.8601
541 1DR 0.8600
542 WLH 0.8599
543 Z21 0.8599
544 H4E 0.8598
545 6J5 0.8596
546 SHI 0.8595
547 IOS 0.8593
548 B21 0.8590
549 4JC 0.8589
550 7G0 0.8589
551 AZM 0.8588
552 KWV 0.8588
553 LFQ 0.8587
554 N3W 0.8582
555 V2Z 0.8579
556 27B 0.8578
557 KBZ 0.8578
558 VGS 0.8576
559 A2G 0.8574
560 FBF 0.8573
561 XYS XYS 0.8571
562 344 0.8570
563 6CL 0.8568
564 12T 0.8568
565 BPN 0.8554
566 PH2 0.8553
567 0OO 0.8552
568 3QV 0.8550
569 STX 0.8550
570 THA 0.8550
571 TZM 0.8549
572 SKF 0.8543
573 NPS 0.8541
574 2QU 0.8541
575 5GT 0.8537
576 YIE 0.8534
577 3L1 0.8533
578 52F 0.8529
579 3GX 0.8528
580 8NX 0.8505
Ligand no: 2; Ligand: YTZ; Similar ligands found: 153
No: Ligand Similarity coefficient
1 08D 0.9627
2 HS6 0.9579
3 2OH 0.9477
4 M5B 0.9404
5 6JD 0.9400
6 RV1 0.9378
7 GVQ 0.9373
8 1OH 0.9370
9 TBL 0.9343
10 Z79 0.9318
11 HS7 0.9300
12 CW6 0.9271
13 0D1 0.9253
14 22F 0.9247
15 MYT 0.9236
16 TPM 0.9233
17 VJP 0.9226
18 GG8 0.9173
19 H48 0.9161
20 D1Y 0.9157
21 H3W 0.9156
22 2BI 0.9143
23 DP4 0.9134
24 T03 0.9133
25 QTG 0.9123
26 0QR 0.9104
27 JOT 0.9102
28 NBB 0.9101
29 4YZ 0.9080
30 GG5 0.9075
31 7Y3 0.9067
32 DBE 0.9058
33 P3Z 0.9052
34 AXZ 0.9047
35 0OY 0.9038
36 27L 0.9035
37 DI9 0.9033
38 BZQ 0.9031
39 0UT 0.9029
40 TQL 0.9024
41 YKN 0.9023
42 5TO 0.9022
43 STS 0.9020
44 B2K 0.9014
45 DY8 0.9010
46 27N 0.9007
47 11X 0.9000
48 9VZ 0.8990
49 29B 0.8985
50 87L 0.8983
51 BZM 0.8980
52 6FG 0.8973
53 S46 0.8972
54 6FR 0.8969
55 4EU 0.8968
56 OJD 0.8964
57 3IP 0.8955
58 6WT 0.8953
59 8V0 0.8950
60 RDV 0.8938
61 6IP 0.8936
62 XI7 0.8931
63 6C5 0.8924
64 0OM 0.8922
65 HS3 0.8918
66 2C0 0.8917
67 JF5 0.8916
68 6WS 0.8912
69 36M 0.8907
70 I46 0.8906
71 J4K 0.8902
72 RQD 0.8870
73 S7D 0.8869
74 A8K 0.8858
75 5PV 0.8849
76 0QA 0.8848
77 4FP 0.8847
78 B00 0.8842
79 PZX 0.8835
80 LJ1 0.8830
81 T07 0.8830
82 27K 0.8822
83 YIH 0.8813
84 2JX 0.8808
85 848 0.8807
86 SAZ 0.8803
87 5O5 0.8791
88 KYN 0.8778
89 ALA PHE 0.8777
90 LL2 0.8773
91 ALA GLU 0.8765
92 GJB 0.8764
93 2BQ 0.8757
94 HRC 0.8751
95 EGV 0.8748
96 0OL 0.8745
97 3G3 0.8739
98 RPN 0.8739
99 TDH 0.8738
100 D8Y 0.8738
101 536 0.8738
102 NQM 0.8733
103 DA3 0.8726
104 90J 0.8722
105 M2E 0.8721
106 56Q 0.8720
107 583 0.8718
108 3W1 0.8713
109 SE5 0.8713
110 HSA 0.8712
111 A06 0.8707
112 PZB 0.8704
113 IM4 0.8703
114 VJJ 0.8700
115 HJ1 0.8691
116 L12 0.8688
117 HCA 0.8686
118 S0F 0.8667
119 S7G 0.8659
120 IT5 0.8652
121 N9M 0.8649
122 WDT 0.8644
123 SBI 0.8643
124 4BH 0.8643
125 N1Y 0.8643
126 8PO 0.8638
127 ISC 0.8624
128 TRP 0.8624
129 ISJ 0.8622
130 EXG 0.8621
131 INF 0.8616
132 V15 0.8612
133 KDO 0.8610
134 5NR 0.8608
135 S0B 0.8607
136 GHQ 0.8606
137 M75 0.8601
138 TPR 0.8589
139 U5P 0.8588
140 JW8 0.8583
141 YJW 0.8573
142 MGB 0.8571
143 HRG 0.8571
144 JFM 0.8569
145 F6R 0.8569
146 A7Q 0.8561
147 QMI 0.8560
148 YIP 0.8559
149 ARG 0.8550
150 27M 0.8547
151 NLA 0.8542
152 DTR 0.8532
153 H4T 0.8515
Ligand no: 3; Ligand: I6G; Similar ligands found: 774
No: Ligand Similarity coefficient
1 DBJ 0.9465
2 APZ 0.9463
3 39O 0.9451
4 FLV 0.9451
5 UAN 0.9434
6 226 0.9420
7 4VS 0.9401
8 HQD 0.9395
9 NGT 0.9380
10 HLZ 0.9365
11 MUA 0.9362
12 8XQ 0.9354
13 AJY 0.9349
14 2FQ 0.9335
15 DNC 0.9335
16 QX4 0.9326
17 D07 0.9322
18 UFO 0.9319
19 7VS 0.9316
20 X8D 0.9316
21 TOF 0.9312
22 7WR 0.9303
23 6BL 0.9302
24 AZ9 0.9298
25 LDR 0.9297
26 HNQ 0.9290
27 3MG 0.9288
28 XM5 0.9287
29 CFF 0.9286
30 2AK 0.9284
31 9AP 0.9282
32 2J9 0.9282
33 0N7 0.9280
34 DPZ 0.9279
35 BDP 0.9273
36 M0W 0.9268
37 4KL 0.9267
38 7ZE 0.9264
39 0P6 0.9258
40 GCW 0.9256
41 495 0.9253
42 B62 0.9251
43 2ZQ 0.9250
44 INE 0.9246
45 8CM 0.9245
46 BGC 0.9243
47 5PX 0.9241
48 JR2 0.9241
49 NID 0.9241
50 NGO 0.9239
51 CWS 0.9239
52 6VD 0.9239
53 3IT 0.9239
54 7FF 0.9238
55 5WY 0.9235
56 0FO 0.9235
57 GTR 0.9235
58 28N 0.9230
59 GLC 0.9228
60 AJV 0.9228
61 FE DB1 0.9228
62 MT0 0.9227
63 SYR 0.9224
64 3TJ 0.9223
65 7MX 0.9220
66 KUF 0.9219
67 VK3 0.9216
68 FBG 0.9215
69 6ME 0.9212
70 SRO 0.9208
71 7M6 0.9206
72 3Z8 0.9204
73 SYA 0.9202
74 XHP 0.9201
75 9MG 0.9197
76 30G 0.9192
77 BK9 0.9190
78 B60 0.9185
79 HZQ 0.9183
80 4MU 0.9183
81 LI6 0.9181
82 15L 0.9180
83 0F9 0.9171
84 DQU 0.9171
85 9KT 0.9171
86 RXA 0.9171
87 KT7 0.9170
88 OTW 0.9170
89 NQ 0.9169
90 X09 0.9168
91 1KP 0.9168
92 VNL 0.9167
93 GDE 0.9166
94 MAQ 0.9164
95 TTL 0.9164
96 4HC 0.9162
97 8GK 0.9160
98 4ME 0.9159
99 7I2 0.9158
100 XQK 0.9158
101 BPU 0.9157
102 QPR 0.9153
103 R8V 0.9151
104 CLZ 0.9149
105 44W 0.9148
106 PYQ 0.9147
107 UNC 0.9146
108 JUG 0.9145
109 Q6T 0.9143
110 G3F 0.9142
111 AQO 0.9142
112 64C 0.9142
113 PE0 0.9141
114 FOT 0.9140
115 12B 0.9140
116 M5K 0.9138
117 1X7 0.9136
118 DIN 0.9136
119 8S0 0.9135
120 7B3 0.9134
121 MVN 0.9134
122 AJ2 0.9131
123 PEY 0.9130
124 G1O 0.9129
125 67X 0.9128
126 C2U 0.9128
127 A7W 0.9127
128 J9W 0.9121
129 E7Z 0.9119
130 FGZ 0.9118
131 PHH 0.9117
132 0XT 0.9117
133 8W9 0.9116
134 ZZ8 0.9116
135 ONR 0.9116
136 GCU 0.9115
137 NAG 0.9112
138 M5N 0.9112
139 44V 0.9111
140 MRW 0.9111
141 5OF 0.9109
142 IJZ 0.9109
143 NTZ 0.9109
144 692 0.9108
145 582 0.9107
146 HLD 0.9107
147 MEW 0.9106
148 2LY 0.9105
149 TQU 0.9103
150 Q24 0.9103
151 Z5P 0.9098
152 C2Y 0.9095
153 37T 0.9095
154 AZ8 0.9094
155 QAS 0.9093
156 JKZ 0.9093
157 0W8 0.9092
158 QAT 0.9091
159 FXH 0.9090
160 06B 0.9088
161 TIY 0.9087
162 AKH 0.9085
163 7NI 0.9085
164 GJS 0.9082
165 6X9 0.9082
166 42C 0.9082
167 LGC 0.9081
168 KYA 0.9079
169 AIN 0.9078
170 CTS 0.9078
171 MT5 0.9078
172 GCB 0.9075
173 GNL 0.9073
174 HQT 0.9073
175 R6T 0.9071
176 5NE 0.9071
177 N8Y 0.9070
178 DX3 0.9070
179 GCS 0.9068
180 PX7 0.9067
181 MT8 0.9063
182 4TU 0.9063
183 Q71 0.9062
184 SXS 0.9062
185 0GZ 0.9061
186 VXX 0.9060
187 5WX 0.9058
188 NDG 0.9058
189 92P 0.9057
190 MHK 0.9057
191 H5B 0.9055
192 5QX 0.9053
193 L5E 0.9052
194 XAZ 0.9052
195 4Z4 0.9052
196 MXX 0.9050
197 SR4 0.9049
198 K3Q 0.9048
199 2D3 0.9048
200 DHK 0.9042
201 18N 0.9042
202 1X8 0.9040
203 PQ0 0.9038
204 12Q 0.9036
205 F31 0.9036
206 GOX 0.9035
207 HJP 0.9033
208 EVA 0.9033
209 GDL 0.9032
210 LT2 0.9030
211 3J8 0.9028
212 MS9 0.9028
213 DIU 0.9025
214 F6P 0.9024
215 GM7 0.9024
216 2JK 0.9023
217 MO8 0.9023
218 Q7A 0.9023
219 AY4 0.9022
220 9UG 0.9022
221 DRL 0.9019
222 JXW 0.9019
223 5JQ 0.9018
224 DRG 0.9017
225 JG8 0.9016
226 KJY 0.9015
227 SKM 0.9012
228 BTY 0.9011
229 2D0 0.9006
230 BEA 0.9006
231 NLA 0.9005
232 ROI 0.9004
233 KJH 0.9003
234 28S 0.9003
235 GZ8 0.9003
236 YSO 0.9002
237 5NS 0.9002
238 URC 0.9002
239 B56 0.9001
240 TNF 0.9001
241 M1H 0.9000
242 4XH 0.8999
243 209 0.8999
244 5VJ 0.8998
245 THA 0.8997
246 QNA 0.8997
247 JU2 0.8997
248 3PF 0.8997
249 CBF 0.8996
250 GAL 0.8996
251 KBG 0.8995
252 B5D 0.8995
253 DNF 0.8994
254 HKD 0.8994
255 ODO 0.8993
256 75K 0.8991
257 YQA 0.8991
258 5JL 0.8988
259 2MN 0.8988
260 Q77 0.8987
261 TWO 0.8986
262 24W 0.8986
263 HH8 0.8985
264 GT0 0.8985
265 3WA 0.8984
266 NDM 0.8983
267 K44 0.8983
268 PH2 0.8981
269 HHR 0.8981
270 KWH 0.8979
271 1LQ 0.8979
272 G12 0.8975
273 JXN 0.8975
274 C9E 0.8975
275 HA7 0.8973
276 8TX 0.8972
277 PDC 0.8972
278 32X 0.8971
279 EJZ 0.8970
280 H33 0.8970
281 QX2 0.8968
282 6QF 0.8967
283 DHQ 0.8967
284 ESI 0.8967
285 F12 0.8965
286 1SQ 0.8965
287 8MO 0.8965
288 AA 0.8962
289 CKA 0.8962
290 4AN 0.8961
291 B55 0.8960
292 7W1 0.8957
293 5QY 0.8956
294 ORO 0.8955
295 ZYR 0.8954
296 HA5 0.8953
297 F95 0.8952
298 5WU 0.8950
299 EA1 0.8949
300 X05 0.8948
301 F2W 0.8946
302 SKA 0.8945
303 2SX 0.8945
304 OTD 0.8944
305 LZ2 0.8944
306 CCV 0.8942
307 1QP 0.8941
308 DK1 0.8941
309 3MB 0.8941
310 1NP 0.8940
311 SHG 0.8939
312 5IQ 0.8938
313 MVL 0.8938
314 5RO 0.8938
315 20J 0.8937
316 BZJ 0.8937
317 ZVO 0.8936
318 39A 0.8935
319 GSY 0.8934
320 G3E 0.8932
321 JBH 0.8931
322 MBG 0.8931
323 92K 0.8930
324 680 0.8930
325 JPZ 0.8929
326 2HQ 0.8929
327 4YS 0.8928
328 2FY 0.8928
329 5SG 0.8928
330 TEP 0.8928
331 TNL 0.8927
332 LSA 0.8927
333 4AV 0.8926
334 QBK 0.8926
335 I3A 0.8925
336 IBM 0.8925
337 329 0.8924
338 N5J 0.8922
339 ES1 0.8922
340 5RG 0.8921
341 NVU 0.8921
342 OXC 0.8919
343 R9Y 0.8917
344 BA5 0.8917
345 7B4 0.8912
346 AW5 0.8912
347 5Q0 0.8912
348 G6D 0.8911
349 M1E 0.8910
350 NDH 0.8910
351 W8G 0.8910
352 8WT 0.8909
353 AEZ 0.8908
354 5MK 0.8908
355 KIF 0.8907
356 K6X 0.8907
357 JYB 0.8907
358 GIM 0.8906
359 8WZ 0.8905
360 PRF 0.8905
361 HQY 0.8904
362 UFV 0.8904
363 2KA 0.8902
364 WUB 0.8901
365 HTP 0.8900
366 OVM 0.8898
367 GTQ 0.8898
368 GV9 0.8897
369 DNA 0.8897
370 DOR 0.8896
371 2EC 0.8895
372 PXL 0.8895
373 8IG 0.8895
374 OMD 0.8893
375 9R5 0.8890
376 ANF 0.8887
377 537 0.8887
378 GTZ 0.8885
379 NTM 0.8885
380 X0W 0.8884
381 54G 0.8881
382 Q88 0.8881
383 KIB 0.8881
384 FDR 0.8880
385 9LI 0.8879
386 H6B 0.8877
387 JBQ 0.8877
388 86J 0.8875
389 7HQ 0.8874
390 PHT 0.8874
391 SE2 0.8871
392 6E8 0.8870
393 HBO 0.8867
394 M0Q 0.8866
395 IV2 0.8866
396 3E2 0.8864
397 64E 0.8863
398 LZB 0.8863
399 SYV 0.8862
400 GXY 0.8862
401 H05 0.8861
402 3R6 0.8861
403 YO5 0.8861
404 0LH 0.8859
405 PRZ 0.8858
406 ICO 0.8857
407 O2A 0.8857
408 QMS 0.8856
409 TT4 0.8856
410 HQJ 0.8854
411 9FL 0.8853
412 KFH 0.8852
413 463 0.8852
414 OA3 0.8852
415 AMR 0.8851
416 O72 0.8850
417 5RN 0.8847
418 UEG 0.8847
419 M1Q 0.8846
420 RZH 0.8846
421 K32 0.8846
422 PFB 0.8846
423 5M0 0.8845
424 GIO 0.8845
425 KLW 0.8844
426 D48 0.8844
427 DPT 0.8844
428 ALL 0.8843
429 NBG 0.8841
430 3M0 0.8840
431 XAN 0.8839
432 ARP 0.8839
433 KW8 0.8839
434 A29 0.8838
435 091 0.8837
436 6CS 0.8836
437 YH7 0.8836
438 9FE 0.8835
439 ADA 0.8835
440 RD4 0.8833
441 1XN 0.8832
442 J5I 0.8832
443 AZA 0.8831
444 TTY 0.8830
445 5NU 0.8829
446 9TZ 0.8828
447 4V6 0.8826
448 GUN 0.8826
449 JP2 0.8826
450 0FK 0.8822
451 3HA 0.8821
452 APS 0.8820
453 3C2 0.8820
454 DOB 0.8818
455 FA0 0.8818
456 MNX 0.8817
457 CH9 0.8814
458 K22 0.8813
459 96R 0.8813
460 SWA 0.8810
461 ANC 0.8810
462 8HC 0.8810
463 CWM 0.8809
464 IGA 0.8809
465 SX1 0.8808
466 EGR 0.8807
467 CB1 0.8806
468 M6Z 0.8806
469 1LM 0.8805
470 CTL 0.8804
471 344 0.8803
472 EYA 0.8803
473 GNM 0.8801
474 LZM 0.8800
475 3C1 0.8800
476 3F0 0.8799
477 MS0 0.8798
478 MYI 0.8797
479 1XM 0.8797
480 GNV 0.8796
481 BSP 0.8795
482 4NC 0.8795
483 25W 0.8795
484 ES0 0.8793
485 AMG 0.8793
486 DBH 0.8791
487 0W1 0.8790
488 TRP 0.8790
489 K17 0.8790
490 3QV 0.8789
491 39U 0.8789
492 JY4 0.8788
493 BHA 0.8788
494 2AL 0.8787
495 JTA 0.8786
496 4NO 0.8785
497 NCD 0.8785
498 M2K 0.8785
499 B57 0.8785
500 BOA 0.8785
501 CKU 0.8785
502 E7R 0.8783
503 DIE 0.8783
504 ADZ 0.8782
505 4M0 0.8782
506 C8O 0.8780
507 9DG 0.8780
508 EY7 0.8779
509 0FN 0.8779
510 7ME 0.8779
511 7CT 0.8777
512 4AA 0.8777
513 6AP 0.8776
514 1HN 0.8776
515 5CU 0.8775
516 96U 0.8775
517 A2F 0.8774
518 290 0.8773
519 42A 0.8773
520 2H5 0.8772
521 SOR 0.8772
522 TBS 0.8771
523 141 0.8771
524 UQ 0.8771
525 1P7 0.8770
526 7VJ 0.8770
527 J9T 0.8769
528 0JD 0.8768
529 774 0.8767
530 JXZ 0.8767
531 KKN 0.8765
532 J01 0.8765
533 L7T 0.8764
534 A1Y 0.8764
535 ZB1 0.8762
536 M3Q 0.8762
537 LKA 0.8760
538 4CS 0.8760
539 8VE 0.8759
540 AZG 0.8759
541 KIA 0.8758
542 P9P 0.8758
543 XQG 0.8758
544 PJW 0.8757
545 II4 0.8757
546 149 0.8757
547 D1X 0.8756
548 772 0.8755
549 94W 0.8755
550 XH2 0.8753
551 MWP 0.8753
552 9TW 0.8752
553 9CA 0.8751
554 BPY 0.8750
555 RM1 0.8749
556 BZE 0.8747
557 5VL 0.8746
558 9UL 0.8746
559 1GN 0.8746
560 EYK 0.8745
561 GCV 0.8744
562 KDO 0.8742
563 RPQ 0.8742
564 ZME 0.8742
565 GTL 0.8741
566 CHB 0.8741
567 EYM 0.8740
568 4XV 0.8740
569 0CU 0.8739
570 MYJ 0.8739
571 3Y7 0.8738
572 V55 0.8737
573 IHB 0.8736
574 KED 0.8736
575 PD2 0.8735
576 4RU 0.8734
577 DHB 0.8733
578 DX4 0.8733
579 TWB 0.8732
580 JBK 0.8732
581 CFP 0.8732
582 AO6 0.8731
583 OCZ 0.8731
584 NNO 0.8731
585 K25 0.8730
586 MOK 0.8729
587 JND 0.8728
588 8WO 0.8728
589 2FG 0.8727
590 X11 0.8726
591 1XA 0.8724
592 M6N 0.8723
593 5OB 0.8723
594 HH5 0.8723
595 E35 0.8722
596 KTW 0.8722
597 CWJ 0.8720
598 XQ0 0.8720
599 GOG 0.8720
600 DEE 0.8720
601 XX2 0.8718
602 M5H 0.8718
603 IPT 0.8718
604 23J 0.8716
605 INO 0.8716
606 1A7 0.8716
607 WOO 0.8716
608 1IT 0.8715
609 FDB 0.8713
610 93K 0.8712
611 JLZ 0.8712
612 JTH 0.8711
613 GZL 0.8710
614 PXM 0.8709
615 E1K 0.8709
616 15N 0.8708
617 97T 0.8706
618 TSS 0.8706
619 YIO 0.8706
620 4XS 0.8706
621 2HO 0.8705
622 M1Z 0.8705
623 15E 0.8705
624 V1T 0.8704
625 CKX 0.8703
626 2K8 0.8702
627 6R8 0.8701
628 3NY 0.8699
629 FHB 0.8695
630 G1P 0.8695
631 4XY 0.8693
632 KGK 0.8692
633 4A3 0.8691
634 FBU 0.8688
635 SBI 0.8687
636 7MU 0.8687
637 069 0.8687
638 HHS 0.8686
639 KBB 0.8686
640 N0Z 0.8683
641 L5V 0.8683
642 5B1 0.8683
643 8NX 0.8683
644 3HM 0.8683
645 DTR 0.8682
646 F0J 0.8680
647 ISN 0.8678
648 1U6 0.8678
649 NGA 0.8677
650 EV3 0.8673
651 F5B 0.8673
652 GLA 0.8673
653 4JQ 0.8671
654 GIV 0.8670
655 GYE 0.8669
656 GHM 0.8669
657 JF2 0.8667
658 8XL 0.8666
659 DBX 0.8666
660 GNY 0.8666
661 FLC 0.8662
662 KLK 0.8660
663 3NT 0.8660
664 ES7 0.8659
665 FSW 0.8659
666 3HB 0.8659
667 8GC 0.8658
668 BZ3 0.8656
669 IAC 0.8655
670 FA3 0.8654
671 EXO 0.8653
672 J9Q 0.8652
673 0HO 0.8652
674 BCP 0.8650
675 GAB 0.8650
676 RB2 0.8649
677 BMA 0.8648
678 ZWZ 0.8646
679 6NT 0.8645
680 EXD 0.8644
681 3N4 0.8642
682 XXR 0.8641
683 LT8 0.8637
684 5WV 0.8634
685 MAN 0.8634
686 QQQ 0.8632
687 67N 0.8631
688 52C 0.8630
689 COU 0.8630
690 3MA 0.8630
691 IQZ 0.8629
692 5CL 0.8628
693 6RQ 0.8628
694 INS 0.8627
695 E1T 0.8627
696 A13 0.8626
697 ISE 0.8626
698 3ID 0.8624
699 MQN 0.8623
700 2ZM 0.8623
701 KJ5 0.8622
702 ADK 0.8621
703 4FS 0.8621
704 FA6 0.8621
705 KJU 0.8621
706 HHA 0.8620
707 54X 0.8620
708 M1A 0.8618
709 3DM 0.8618
710 6XI 0.8617
711 0HN 0.8615
712 XFE 0.8615
713 03V 0.8614
714 7ZC 0.8614
715 53C 0.8614
716 KWQ 0.8613
717 OVV 0.8613
718 OCH 0.8612
719 DMD 0.8611
720 68A 0.8611
721 27B 0.8611
722 SHA 0.8610
723 B53 0.8610
724 5TY 0.8609
725 4HM 0.8608
726 7W4 0.8607
727 THM 0.8605
728 DQN 0.8605
729 5V7 0.8604
730 3GQ 0.8604
731 IPB 0.8603
732 L99 0.8603
733 EQT 0.8603
734 5XC 0.8601
735 ABI 0.8600
736 TGX 0.8599
737 SVN 0.8599
738 3AB 0.8597
739 MQB 0.8597
740 WCE 0.8595
741 BTE 0.8594
742 0TU 0.8592
743 H42 0.8589
744 X0V 0.8586
745 2AQ 0.8585
746 ASO 0.8584
747 3BZ 0.8583
748 4YO 0.8581
749 1U1 0.8580
750 4M4 0.8580
751 BRT 0.8579
752 0GY 0.8578
753 EUG 0.8575
754 GNJ 0.8575
755 K37 0.8575
756 JB5 0.8575
757 AC2 0.8573
758 ES5 0.8572
759 LFQ 0.8572
760 MJ2 0.8571
761 VM1 0.8568
762 BNT 0.8561
763 K68 0.8561
764 1P8 0.8560
765 K8X 0.8560
766 5GU 0.8557
767 5HN 0.8552
768 SAL 0.8548
769 6M9 0.8547
770 2O6 0.8545
771 LT3 0.8540
772 JBE 0.8512
773 4FH 0.8510
774 SG2 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6ESN; Ligand: BWE; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 6esn.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 1NU4 MLA None
3 1NU4 MLA None
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