Receptor
PDB id Resolution Class Description Source Keywords
2IGA 1.95 Å EC: 1.13.11.15 STRUCTURE OF HOMOPROTOCATECHUATE 2,3-DIOXYGENASE FROM B. FUS COMPLEX WITH REACTIVE INTERMEDIATES FORMED VIA IN CRYSTALLOW ITH 4-NITROCATECHOL AT LOW OXYGEN CONCENTRATIONS. BREVIBACTERIUM FUSCUM OXYGENASE EXTRADIOL FE(II) HOMOPROTOCATECHUATE ALKYLPEROINTERMEDIATE SUBSTRATE-SEMIQUINONE OPEN-RING PRODUCT OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF FE2+ DIOXYGENASE SUPEROXO, ALKYLPEROXO, AND BOUND PRODUCT INTERMEDIATES SCIENCE V. 316 453 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:701;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
CL A:700;
B:700;
C:700;
D:700;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
FE2 A:500;
B:500;
C:500;
D:500;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+2...
GOL A:801;
A:811;
B:802;
B:804;
B:806;
B:809;
B:812;
B:813;
C:807;
C:808;
C:810;
D:803;
D:805;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
OXY C:600;
Invalid;
none;
submit data
31.999 O2 O=O
XX2 C:601;
Valid;
none;
submit data
154.1 C6 H4 N O4 C1=CC...
XX3 B:600;
D:600;
Valid;
Valid;
none;
none;
submit data
187.107 C6 H5 N O6 C1=CC...
XXP A:600;
Valid;
none;
submit data
187.107 C6 H5 N O6 C(=C/...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2IGA 1.95 Å EC: 1.13.11.15 STRUCTURE OF HOMOPROTOCATECHUATE 2,3-DIOXYGENASE FROM B. FUS COMPLEX WITH REACTIVE INTERMEDIATES FORMED VIA IN CRYSTALLOW ITH 4-NITROCATECHOL AT LOW OXYGEN CONCENTRATIONS. BREVIBACTERIUM FUSCUM OXYGENASE EXTRADIOL FE(II) HOMOPROTOCATECHUATE ALKYLPEROINTERMEDIATE SUBSTRATE-SEMIQUINONE OPEN-RING PRODUCT OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF FE2+ DIOXYGENASE SUPEROXO, ALKYLPEROXO, AND BOUND PRODUCT INTERMEDIATES SCIENCE V. 316 453 2007
Members (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4Z6V - 4NC C6 H5 N O4 c1cc(c(cc1....
2 4GHE - 4NC C6 H5 N O4 c1cc(c(cc1....
3 4Z6S - 4SX C6 H6 O5 S c1cc(c(cc1....
4 4GHF - 4NC C6 H5 N O4 c1cc(c(cc1....
5 3ECK - XXG C6 H6 O6 S C1=CC(=O)C....
6 5BWH - DHY C8 H8 O4 c1cc(c(cc1....
7 4Z6U - 4NC C6 H5 N O4 c1cc(c(cc1....
8 4GHH - 4NC C6 H5 N O4 c1cc(c(cc1....
9 4Z6P - DHY C8 H8 O4 c1cc(c(cc1....
10 4Z6O - DHY C8 H8 O4 c1cc(c(cc1....
11 3OJK - 4NC C6 H5 N O4 c1cc(c(cc1....
12 4Z6Z - 4SX C6 H6 O5 S c1cc(c(cc1....
13 4Z6W - 4NC C6 H5 N O4 c1cc(c(cc1....
14 4Z6R - 4SX C6 H6 O5 S c1cc(c(cc1....
15 4GHD - DHY C8 H8 O4 c1cc(c(cc1....
16 1Q0C - DHY C8 H8 O4 c1cc(c(cc1....
17 4Z6T - 4SX C6 H6 O5 S c1cc(c(cc1....
18 4Z6Q - DHY C8 H8 O4 c1cc(c(cc1....
19 2IGA - XX2 C6 H4 N O4 C1=CC(=O)[....
20 4GHG - DHY C8 H8 O4 c1cc(c(cc1....
70% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4Z6V - 4NC C6 H5 N O4 c1cc(c(cc1....
2 4GHE - 4NC C6 H5 N O4 c1cc(c(cc1....
3 4Z6S - 4SX C6 H6 O5 S c1cc(c(cc1....
4 4GHF - 4NC C6 H5 N O4 c1cc(c(cc1....
5 3ECK - XXG C6 H6 O6 S C1=CC(=O)C....
6 5BWH - DHY C8 H8 O4 c1cc(c(cc1....
7 4Z6U - 4NC C6 H5 N O4 c1cc(c(cc1....
8 4GHH - 4NC C6 H5 N O4 c1cc(c(cc1....
9 4Z6P - DHY C8 H8 O4 c1cc(c(cc1....
10 4Z6O - DHY C8 H8 O4 c1cc(c(cc1....
11 3OJK - 4NC C6 H5 N O4 c1cc(c(cc1....
12 4Z6Z - 4SX C6 H6 O5 S c1cc(c(cc1....
13 4Z6W - 4NC C6 H5 N O4 c1cc(c(cc1....
14 4Z6R - 4SX C6 H6 O5 S c1cc(c(cc1....
15 4GHD - DHY C8 H8 O4 c1cc(c(cc1....
16 1Q0C - DHY C8 H8 O4 c1cc(c(cc1....
17 4Z6T - 4SX C6 H6 O5 S c1cc(c(cc1....
18 4Z6Q - DHY C8 H8 O4 c1cc(c(cc1....
19 2IGA - XX2 C6 H4 N O4 C1=CC(=O)[....
20 4GHG - DHY C8 H8 O4 c1cc(c(cc1....
21 1F1V - DHY C8 H8 O4 c1cc(c(cc1....
50% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4Z6V - 4NC C6 H5 N O4 c1cc(c(cc1....
2 4GHE - 4NC C6 H5 N O4 c1cc(c(cc1....
3 4Z6S - 4SX C6 H6 O5 S c1cc(c(cc1....
4 4GHF - 4NC C6 H5 N O4 c1cc(c(cc1....
5 3ECK - XXG C6 H6 O6 S C1=CC(=O)C....
6 5BWH - DHY C8 H8 O4 c1cc(c(cc1....
7 4Z6U - 4NC C6 H5 N O4 c1cc(c(cc1....
8 4GHH - 4NC C6 H5 N O4 c1cc(c(cc1....
9 4Z6P - DHY C8 H8 O4 c1cc(c(cc1....
10 4Z6O - DHY C8 H8 O4 c1cc(c(cc1....
11 3OJK - 4NC C6 H5 N O4 c1cc(c(cc1....
12 4Z6Z - 4SX C6 H6 O5 S c1cc(c(cc1....
13 4Z6W - 4NC C6 H5 N O4 c1cc(c(cc1....
14 4Z6R - 4SX C6 H6 O5 S c1cc(c(cc1....
15 4GHD - DHY C8 H8 O4 c1cc(c(cc1....
16 1Q0C - DHY C8 H8 O4 c1cc(c(cc1....
17 4Z6T - 4SX C6 H6 O5 S c1cc(c(cc1....
18 4Z6Q - DHY C8 H8 O4 c1cc(c(cc1....
19 2IGA - XX2 C6 H4 N O4 C1=CC(=O)[....
20 4GHG - DHY C8 H8 O4 c1cc(c(cc1....
21 1F1V - DHY C8 H8 O4 c1cc(c(cc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XX2; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 XX2 1 1
Ligand no: 2; Ligand: XX3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 XX3 1 1
Ligand no: 3; Ligand: XXP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 XXP 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: XX2; Similar ligands found: 1272
No: Ligand Similarity coefficient
1 4NC 1.0000
2 DHB 1.0000
3 4A3 1.0000
4 MYJ 1.0000
5 INO 1.0000
6 FHB 1.0000
7 P9P 1.0000
8 NNO 1.0000
9 CHB 1.0000
10 3HM 1.0000
11 93K 0.9985
12 2HO 0.9952
13 QSB 0.9935
14 IHB 0.9928
15 9TW 0.9909
16 3HB 0.9796
17 4CS 0.9792
18 PHB 0.9787
19 PAB 0.9787
20 AC6 0.9782
21 NPO 0.9779
22 8WO 0.9773
23 3NT 0.9771
24 GAB 0.9764
25 HBD 0.9763
26 GDE 0.9747
27 F31 0.9734
28 WCE 0.9716
29 VNL 0.9711
30 4MA 0.9711
31 PBZ 0.9689
32 1Y6 0.9688
33 OVV 0.9683
34 SKM 0.9680
35 3AB 0.9669
36 4XR 0.9660
37 P72 0.9659
38 826 0.9655
39 53C 0.9654
40 NMJ 0.9649
41 8GC 0.9647
42 5WV 0.9636
43 BRT 0.9630
44 LDP 0.9629
45 DHK 0.9622
46 174 0.9621
47 3PF 0.9617
48 Z82 0.9617
49 BGC 0.9617
50 6NT 0.9616
51 ISN 0.9613
52 4AA 0.9613
53 5HN 0.9612
54 KKN 0.9608
55 0HN 0.9608
56 IFP 0.9600
57 X0V 0.9597
58 GYE 0.9596
59 5QY 0.9595
60 0HO 0.9592
61 ES7 0.9588
62 KOJ 0.9585
63 JLZ 0.9580
64 QSH 0.9577
65 3HA 0.9576
66 GTQ 0.9568
67 3ID 0.9567
68 LNR 0.9565
69 3NY 0.9562
70 4WL 0.9555
71 4SX 0.9554
72 DMD 0.9552
73 0P6 0.9550
74 7W4 0.9546
75 J9T 0.9541
76 G3E 0.9537
77 L99 0.9535
78 4P5 0.9533
79 3BZ 0.9532
80 5RG 0.9532
81 FA0 0.9531
82 PBC 0.9529
83 FGZ 0.9529
84 4FH 0.9528
85 54G 0.9527
86 5M0 0.9527
87 3Z8 0.9525
88 2HU 0.9525
89 4Z4 0.9524
90 PZI 0.9522
91 GLC 0.9519
92 4M0 0.9519
93 LT2 0.9518
94 12Q 0.9518
95 BEZ 0.9517
96 D48 0.9516
97 BDP 0.9515
98 H42 0.9513
99 5OB 0.9513
100 DBH 0.9512
101 UNU 0.9512
102 V55 0.9512
103 HIS 0.9510
104 86J 0.9510
105 HBA 0.9509
106 1F1 0.9507
107 3OC 0.9506
108 SW7 0.9506
109 J5I 0.9505
110 3IT 0.9504
111 NCA 0.9502
112 DOB 0.9501
113 GZL 0.9500
114 1LQ 0.9498
115 2ZM 0.9498
116 7W1 0.9497
117 67N 0.9494
118 HQD 0.9493
119 5NI 0.9492
120 R8V 0.9489
121 NBZ 0.9488
122 069 0.9487
123 TTL 0.9485
124 ORO 0.9484
125 EKZ 0.9480
126 Q88 0.9478
127 3F0 0.9476
128 5RO 0.9476
129 AZ9 0.9476
130 M1A 0.9475
131 2AL 0.9469
132 5CU 0.9468
133 KJH 0.9468
134 3A9 0.9464
135 TWO 0.9462
136 6PC 0.9462
137 4ZA 0.9462
138 BEN 0.9461
139 SAL 0.9461
140 2HQ 0.9460
141 SKA 0.9459
142 VXX 0.9459
143 CFI 0.9458
144 SE2 0.9455
145 4M4 0.9454
146 BE2 0.9453
147 OXC 0.9453
148 HX3 0.9451
149 HQT 0.9450
150 BHA 0.9449
151 ABI 0.9448
152 5RN 0.9448
153 QWN 0.9448
154 6NI 0.9442
155 M2K 0.9440
156 BAM 0.9438
157 FAN 0.9438
158 HQJ 0.9438
159 3M0 0.9437
160 OAA 0.9437
161 6CS 0.9436
162 1SQ 0.9434
163 E5X 0.9434
164 1P3 0.9432
165 CWS 0.9432
166 KUF 0.9428
167 4SV 0.9427
168 AX7 0.9426
169 BZ3 0.9426
170 4FS 0.9425
171 ICO 0.9425
172 BZ2 0.9425
173 9TZ 0.9424
174 DOR 0.9422
175 COU 0.9422
176 PNZ 0.9421
177 J9Q 0.9421
178 DGJ 0.9420
179 JAW 0.9420
180 AHR 0.9419
181 NIO 0.9419
182 E7Z 0.9418
183 CWM 0.9418
184 A7W 0.9411
185 8WT 0.9410
186 YCP 0.9408
187 2AQ 0.9406
188 5QX 0.9405
189 SYV 0.9404
190 JB5 0.9404
191 JBK 0.9401
192 D1X 0.9401
193 BEA 0.9401
194 AC0 0.9400
195 NOJ 0.9399
196 N5J 0.9399
197 1NP 0.9397
198 03V 0.9397
199 TH7 0.9395
200 QXW 0.9395
201 EUG 0.9394
202 ANN 0.9394
203 4XV 0.9392
204 1LM 0.9389
205 ABV 0.9389
206 DIN 0.9388
207 EA1 0.9388
208 XM0 0.9387
209 270 0.9386
210 DNF 0.9386
211 OCH 0.9385
212 0N7 0.9385
213 ES6 0.9384
214 4JQ 0.9384
215 SOE 0.9384
216 O72 0.9383
217 5NU 0.9383
218 NTN 0.9383
219 GTR 0.9382
220 4HM 0.9382
221 BHO 0.9382
222 97T 0.9382
223 FA1 0.9381
224 ES0 0.9381
225 DYA 0.9381
226 MLT 0.9377
227 ASC 0.9376
228 JBH 0.9375
229 XIY 0.9375
230 RSO 0.9374
231 24W 0.9374
232 Q6T 0.9371
233 ISZ 0.9368
234 JAE 0.9364
235 ES5 0.9364
236 173 0.9363
237 PZA 0.9362
238 ISD 0.9360
239 F05 0.9360
240 PHU 0.9359
241 52C 0.9358
242 1P7 0.9357
243 4XS 0.9355
244 FBW 0.9355
245 TIU 0.9355
246 6RQ 0.9354
247 0W8 0.9352
248 ET2 0.9352
249 5IQ 0.9351
250 SS1 0.9350
251 F0J 0.9348
252 JPZ 0.9347
253 14O 0.9346
254 C2Y 0.9346
255 15N 0.9345
256 IFL 0.9344
257 MRW 0.9343
258 0JD 0.9342
259 3MB 0.9341
260 F60 0.9340
261 ES2 0.9340
262 FOT 0.9339
263 HMH 0.9338
264 FCR 0.9337
265 XQ0 0.9337
266 9FL 0.9337
267 5MK 0.9336
268 BZX 0.9336
269 TPA 0.9333
270 ADA 0.9332
271 HHA 0.9332
272 4YS 0.9332
273 HA5 0.9332
274 6M9 0.9332
275 0F9 0.9332
276 ES1 0.9331
277 QIC 0.9329
278 PIM 0.9329
279 6AI 0.9327
280 TSU 0.9327
281 8CM 0.9326
282 L5V 0.9325
283 2BG 0.9324
284 SAN 0.9323
285 UFV 0.9323
286 PXL 0.9322
287 CLW 0.9322
288 HPA 0.9321
289 MQN 0.9321
290 1P8 0.9319
291 FBS 0.9318
292 ICB 0.9318
293 CN0 0.9317
294 J9W 0.9317
295 VGL 0.9316
296 QUZ 0.9316
297 IF7 0.9315
298 G3F 0.9315
299 5Q0 0.9312
300 5SG 0.9311
301 8S0 0.9310
302 EVA 0.9309
303 7WR 0.9309
304 5H1 0.9309
305 IV2 0.9309
306 AKH 0.9309
307 NIZ 0.9308
308 CTL 0.9307
309 4J8 0.9307
310 NOY 0.9306
311 FBB 0.9306
312 GAL 0.9304
313 GLU 0.9304
314 SJ5 0.9302
315 K2T 0.9302
316 4VP 0.9301
317 NPY 0.9301
318 G2F 0.9300
319 FP1 0.9299
320 GCU 0.9298
321 HDH 0.9298
322 UNC 0.9297
323 2A9 0.9295
324 ASO 0.9295
325 2MI 0.9295
326 GVG 0.9292
327 0TU 0.9292
328 DHS 0.9291
329 5MB 0.9289
330 36R 0.9289
331 7VS 0.9288
332 3U4 0.9287
333 11S 0.9287
334 JKE 0.9286
335 M0Q 0.9286
336 717 0.9284
337 7MU 0.9283
338 PIY 0.9283
339 4YO 0.9282
340 82I 0.9281
341 I3A 0.9281
342 AL0 0.9278
343 TYL 0.9278
344 4JT 0.9277
345 LCN 0.9275
346 9CA 0.9275
347 MSR 0.9274
348 HQY 0.9273
349 M0W 0.9273
350 42C 0.9273
351 URC 0.9272
352 2H5 0.9271
353 4XH 0.9270
354 GCB 0.9269
355 PAC 0.9269
356 3XX 0.9269
357 VGD 0.9268
358 SVD 0.9266
359 2D0 0.9266
360 7NI 0.9264
361 2CK 0.9262
362 51R 0.9262
363 4FA 0.9261
364 H7Y 0.9258
365 OW4 0.9256
366 2K4 0.9256
367 6TZ 0.9256
368 AW5 0.9253
369 E1T 0.9251
370 OVM 0.9249
371 ESI 0.9249
372 HY1 0.9248
373 F9P 0.9248
374 KBB 0.9248
375 1M2 0.9247
376 ZXD 0.9246
377 QY9 0.9246
378 ADE 0.9245
379 M6N 0.9243
380 FK1 0.9242
381 IJZ 0.9242
382 JB8 0.9242
383 QSC 0.9241
384 MCT 0.9241
385 5B1 0.9241
386 KJU 0.9241
387 AEF 0.9241
388 9EW 0.9240
389 8ZE 0.9238
390 DHR 0.9237
391 ODO 0.9237
392 AMH 0.9236
393 BPN 0.9236
394 4NM 0.9236
395 M1Q 0.9236
396 261 0.9235
397 JDN 0.9234
398 HJP 0.9233
399 149 0.9231
400 NDH 0.9230
401 K34 0.9230
402 5VM 0.9229
403 4HC 0.9229
404 RM1 0.9228
405 ES9 0.9228
406 SVN 0.9228
407 1PT 0.9228
408 1IT 0.9228
409 42J 0.9227
410 5MI 0.9227
411 1MC 0.9226
412 SX1 0.9225
413 M1E 0.9224
414 XCZ 0.9223
415 0RW 0.9222
416 H4N 0.9220
417 5XB 0.9219
418 FEH 0.9219
419 M4T 0.9217
420 KBG 0.9217
421 7B4 0.9217
422 URF 0.9217
423 GUA 0.9217
424 RAT 0.9216
425 GCS 0.9216
426 9MG 0.9215
427 ESX 0.9215
428 H8N 0.9214
429 6M4 0.9213
430 LMR 0.9213
431 SWD 0.9213
432 7HP 0.9212
433 B62 0.9212
434 HH8 0.9211
435 KT7 0.9210
436 XBZ 0.9208
437 SHA 0.9205
438 BTE 0.9205
439 4HO 0.9204
440 GJZ 0.9203
441 15E 0.9203
442 DQU 0.9203
443 YRL 0.9202
444 9FE 0.9201
445 AZ8 0.9200
446 4ME 0.9200
447 QWW 0.9199
448 FE DB1 0.9198
449 XXG 0.9198
450 DHY 0.9198
451 B57 0.9198
452 PEA 0.9196
453 CXF 0.9194
454 75K 0.9193
455 FBM 0.9192
456 MR1 0.9192
457 2AC 0.9190
458 MWJ 0.9190
459 OTR 0.9187
460 AJ2 0.9187
461 GRE 0.9186
462 LYL 0.9185
463 23A 0.9185
464 N8Y 0.9185
465 GIV 0.9184
466 Q24 0.9183
467 CPZ 0.9180
468 15L 0.9179
469 G4D 0.9178
470 MZG 0.9178
471 XHP 0.9178
472 8TX 0.9178
473 6FZ 0.9177
474 GLA 0.9177
475 VOH 0.9176
476 HLR 0.9176
477 4ZE 0.9175
478 SN4 0.9174
479 CH9 0.9174
480 34A 0.9173
481 GAF 0.9172
482 MWM 0.9171
483 TH0 0.9171
484 JG8 0.9171
485 JFJ 0.9170
486 RHU 0.9170
487 3DO 0.9169
488 4JJ 0.9168
489 PE0 0.9167
490 TTY 0.9167
491 IT2 0.9166
492 HC4 0.9164
493 DBJ 0.9163
494 39O 0.9163
495 G6D 0.9162
496 FA3 0.9161
497 AAS 0.9161
498 XYP 0.9161
499 ADZ 0.9161
500 K5W 0.9161
501 27Y 0.9161
502 BNS 0.9160
503 MS9 0.9160
504 QBK 0.9160
505 2FG 0.9159
506 LGC 0.9158
507 C2U 0.9158
508 SNU 0.9158
509 1DW 0.9157
510 EYK 0.9157
511 F9Y 0.9156
512 ZYR 0.9156
513 2HC 0.9155
514 9ZE 0.9155
515 TZF 0.9155
516 3FH 0.9152
517 XYD 0.9151
518 OGA 0.9151
519 OHP 0.9150
520 2YU 0.9150
521 AMC 0.9150
522 FBV 0.9150
523 FBA 0.9149
524 FDB 0.9149
525 9DG 0.9149
526 LXC 0.9148
527 M1H 0.9146
528 TGX 0.9146
529 ONR 0.9146
530 XAZ 0.9146
531 MRZ 0.9145
532 92P 0.9144
533 A13 0.9143
534 ZZT 0.9142
535 7WV 0.9142
536 2MP 0.9141
537 TDR 0.9141
538 34D 0.9140
539 A1U 0.9140
540 RIB 0.9139
541 10L 0.9139
542 BR9 0.9139
543 ASP 0.9138
544 GF4 0.9138
545 1WD 0.9137
546 4BZ 0.9136
547 M58 0.9136
548 5JC 0.9136
549 HBX 0.9136
550 QX4 0.9135
551 HT4 0.9134
552 F4E 0.9133
553 GUN 0.9131
554 IPB 0.9130
555 4JM 0.9130
556 Z5P 0.9130
557 MEW 0.9130
558 5XC 0.9129
559 DQA 0.9128
560 5MH 0.9128
561 DIU 0.9128
562 XXP 0.9127
563 AMS 0.9127
564 8NY 0.9126
565 0W1 0.9126
566 OXZ 0.9125
567 5GU 0.9125
568 2FQ 0.9125
569 RMN 0.9124
570 BE7 0.9124
571 DEN 0.9124
572 259 0.9123
573 R20 0.9123
574 FQI 0.9121
575 AKG 0.9120
576 7ME 0.9119
577 NSP 0.9119
578 0FO 0.9117
579 LZM 0.9117
580 CTS 0.9116
581 6ME 0.9116
582 5LA 0.9116
583 MUA 0.9115
584 DHQ 0.9115
585 WBU 0.9114
586 2XX 0.9113
587 A29 0.9112
588 X6X 0.9111
589 4CL 0.9110
590 OTW 0.9110
591 6M1 0.9110
592 J9N 0.9110
593 SD4 0.9109
594 6MP 0.9108
595 M5K 0.9108
596 FPI 0.9108
597 PHE 0.9107
598 OVP 0.9107
599 IND 0.9107
600 8XL 0.9107
601 BTY 0.9107
602 XAN 0.9107
603 FB2 0.9106
604 FB1 0.9105
605 SWA 0.9104
606 MBG 0.9104
607 KJY 0.9104
608 PYF 0.9104
609 FYU 0.9103
610 AZA 0.9103
611 JZ2 0.9102
612 6F0 0.9102
613 HLZ 0.9101
614 TM7 0.9101
615 AQO 0.9101
616 5UC 0.9101
617 WOO 0.9100
618 HSO 0.9100
619 NCT 0.9100
620 DBX 0.9100
621 5JQ 0.9100
622 TOF 0.9098
623 8H8 0.9098
624 P92 0.9097
625 2EC 0.9096
626 S2P 0.9094
627 1GN 0.9094
628 SRT 0.9093
629 4P0 0.9093
630 JBE 0.9092
631 42A 0.9092
632 MWP 0.9090
633 43M 0.9090
634 ICP 0.9090
635 ABN 0.9088
636 7N0 0.9087
637 HMU 0.9086
638 37T 0.9086
639 F12 0.9086
640 PDC 0.9084
641 PD2 0.9084
642 R9S 0.9083
643 PBA 0.9083
644 N2I 0.9082
645 JA8 0.9082
646 7HQ 0.9081
647 3Z7 0.9081
648 N3W 0.9079
649 7WG 0.9078
650 GXY 0.9077
651 9DA 0.9077
652 C2B 0.9076
653 QOS 0.9076
654 MXN 0.9075
655 MPV 0.9075
656 SYN 0.9074
657 X05 0.9073
658 PYD 0.9073
659 APZ 0.9073
660 AEH 0.9072
661 0FN 0.9072
662 PMB 0.9071
663 GXL 0.9070
664 S76 0.9070
665 5WY 0.9070
666 9HX 0.9069
667 8OZ 0.9069
668 44V 0.9066
669 2CQ 0.9066
670 3WA 0.9066
671 XBT 0.9066
672 3C4 0.9065
673 LZ1 0.9064
674 UNJ 0.9064
675 VNJ 0.9063
676 AJY 0.9063
677 4ZC 0.9063
678 GAG 0.9063
679 GIF 0.9062
680 SEP 0.9062
681 7WA 0.9062
682 B55 0.9062
683 0R0 0.9062
684 BSX 0.9061
685 3DM 0.9061
686 9R5 0.9061
687 PEY 0.9061
688 14J 0.9060
689 BP1 0.9059
690 PRZ 0.9059
691 DEW 0.9057
692 4HP 0.9057
693 BZI 0.9056
694 PXM 0.9055
695 MNN 0.9054
696 3HP 0.9054
697 2LP 0.9052
698 AJV 0.9051
699 25W 0.9051
700 JZ3 0.9051
701 MAJ 0.9051
702 KTA 0.9050
703 4MU 0.9050
704 BZF 0.9050
705 SHG 0.9049
706 IGA 0.9049
707 T6C 0.9048
708 FDR 0.9048
709 DMJ 0.9047
710 P3K 0.9047
711 OMD 0.9045
712 150 0.9045
713 7MH 0.9045
714 36E 0.9044
715 AY4 0.9043
716 4JL 0.9042
717 JND 0.9042
718 AX3 0.9042
719 1XN 0.9041
720 428 0.9041
721 TSS 0.9040
722 PQK 0.9040
723 RAM 0.9040
724 PCA 0.9040
725 24B 0.9039
726 EXD 0.9039
727 JTH 0.9039
728 ALA ALA 0.9038
729 IFM 0.9036
730 92K 0.9036
731 PEL 0.9035
732 2HG 0.9034
733 HIO 0.9033
734 QPR 0.9033
735 A2F 0.9032
736 PEP 0.9030
737 IWT 0.9030
738 L3Q 0.9029
739 GLN 0.9029
740 263 0.9026
741 YIO 0.9025
742 2F6 0.9025
743 60P 0.9025
744 TLD 0.9024
745 2AK 0.9024
746 4NG 0.9023
747 HQ9 0.9023
748 32X 0.9020
749 MT0 0.9019
750 EOL 0.9018
751 RNS 0.9016
752 S2G 0.9016
753 CFP 0.9016
754 INE 0.9016
755 IDM 0.9015
756 MVN 0.9014
757 FUD 0.9012
758 OK7 0.9011
759 PJW 0.9011
760 JZ4 0.9010
761 ES4 0.9009
762 3AL 0.9008
763 R8S 0.9008
764 IUR 0.9008
765 2LY 0.9007
766 FDK 0.9007
767 44W 0.9007
768 E7S 0.9007
769 FBU 0.9006
770 KDV 0.9006
771 BPY 0.9006
772 RXA 0.9005
773 K7M 0.9004
774 MPI 0.9004
775 ALL 0.9002
776 ORN 0.9002
777 ASN 0.9001
778 VK3 0.9001
779 6KT 0.9001
780 PY7 0.9000
781 TT4 0.9000
782 PRY 0.8999
783 DE5 0.8998
784 CFF 0.8998
785 PRF 0.8998
786 HHH 0.8997
787 1SA 0.8996
788 9KT 0.8995
789 AZG 0.8994
790 141 0.8993
791 9PY 0.8992
792 M4S 0.8992
793 286 0.8992
794 0CT 0.8992
795 TEP 0.8991
796 I1E 0.8989
797 4AV 0.8988
798 XX3 0.8988
799 1WG 0.8988
800 AH8 0.8987
801 6AP 0.8987
802 3SK 0.8987
803 GVH 0.8987
804 N2Z 0.8986
805 1AB 0.8986
806 1LN 0.8986
807 X09 0.8986
808 DFB 0.8986
809 PM6 0.8986
810 290 0.8984
811 YH7 0.8983
812 2FY 0.8982
813 HPS 0.8982
814 AGK 0.8981
815 495 0.8979
816 MJ2 0.8978
817 4BY 0.8978
818 XYL 0.8977
819 RNT 0.8975
820 HH5 0.8975
821 6GU 0.8974
822 MNM 0.8973
823 B53 0.8973
824 ZBT 0.8973
825 6LW 0.8972
826 AN3 0.8972
827 RB5 0.8971
828 4NB 0.8971
829 0R1 0.8970
830 DNC 0.8970
831 R8A 0.8970
832 SOR 0.8969
833 TZE 0.8968
834 2ZV 0.8968
835 Y8I 0.8966
836 12T 0.8965
837 DX4 0.8964
838 4TU 0.8963
839 3QM 0.8960
840 M45 0.8959
841 8HC 0.8959
842 3PG 0.8958
843 PYQ 0.8958
844 C21 0.8958
845 BNF 0.8957
846 3R6 0.8956
847 NQ 0.8955
848 4BL 0.8955
849 0LH 0.8954
850 0FK 0.8954
851 0MK 0.8953
852 BCU 0.8953
853 3SL 0.8953
854 I3E 0.8953
855 36Y 0.8952
856 4JC 0.8952
857 URQ 0.8951
858 R2P 0.8950
859 268 0.8950
860 FH2 0.8949
861 0BP 0.8949
862 C2A 0.8948
863 7MK 0.8948
864 OXQ 0.8948
865 FCA 0.8947
866 BOA 0.8947
867 BCP 0.8947
868 282 0.8947
869 F4Z 0.8945
870 F5B 0.8944
871 5JL 0.8944
872 DGL 0.8943
873 2O6 0.8943
874 GJP 0.8943
875 8IG 0.8940
876 PH2 0.8939
877 JZ5 0.8937
878 209 0.8937
879 IDH 0.8936
880 1XM 0.8934
881 4JO 0.8933
882 PKU 0.8930
883 NID 0.8930
884 R2B 0.8929
885 FUL 0.8928
886 449 0.8927
887 9RW 0.8927
888 TC7 0.8927
889 RPQ 0.8926
890 JIF 0.8925
891 DRL 0.8925
892 J6W 0.8925
893 EGR 0.8924
894 3MG 0.8923
895 FPY 0.8922
896 1MR 0.8922
897 MO8 0.8921
898 MZB 0.8920
899 NAG 0.8920
900 IAC 0.8920
901 7MX 0.8920
902 463 0.8918
903 HHR 0.8918
904 YPN 0.8917
905 NVU 0.8914
906 B2J 0.8914
907 LSA 0.8914
908 EN1 0.8914
909 YTX 0.8913
910 HZQ 0.8913
911 MAE 0.8913
912 8U3 0.8912
913 H62 0.8912
914 BNL 0.8912
915 NYL 0.8911
916 94W 0.8911
917 3ZB 0.8911
918 LQ2 0.8910
919 EV0 0.8908
920 PZM 0.8908
921 ALE 0.8907
922 XDE 0.8907
923 QMP 0.8907
924 DEE 0.8907
925 TBP 0.8907
926 LKA 0.8906
927 SNO 0.8906
928 MAN 0.8905
929 SYA 0.8904
930 P7Y 0.8903
931 NK 0.8903
932 PQ0 0.8903
933 8XQ 0.8903
934 1DJ 0.8902
935 7ZE 0.8901
936 URS 0.8900
937 H4E 0.8900
938 FBT 0.8900
939 XYS 0.8899
940 6R8 0.8898
941 A5E 0.8897
942 1HN 0.8897
943 RSF 0.8895
944 258 0.8895
945 OKG 0.8894
946 45C 0.8894
947 PA1 0.8893
948 1KP 0.8893
949 8W9 0.8893
950 4V2 0.8893
951 SXS 0.8891
952 CLZ 0.8891
953 COI 0.8889
954 GRO 0.8888
955 N4B 0.8888
956 GLF 0.8888
957 PHH 0.8888
958 BZJ 0.8888
959 TLA 0.8886
960 2DR 0.8884
961 JBQ 0.8884
962 4JP 0.8884
963 Z6J 0.8882
964 ABE 0.8881
965 2MN 0.8881
966 GBD 0.8881
967 BML 0.8881
968 EMZ 0.8880
969 DIE 0.8880
970 KYD 0.8879
971 APG 0.8879
972 SMV 0.8878
973 URO 0.8877
974 UEG 0.8876
975 4RU 0.8875
976 DS0 0.8874
977 2MH 0.8874
978 45L 0.8872
979 23J 0.8872
980 DGN 0.8871
981 2PG 0.8870
982 AEG 0.8870
983 XSP 0.8870
984 1A7 0.8870
985 KBZ 0.8870
986 3QV 0.8868
987 NK2 0.8867
988 AZF 0.8865
989 BDF 0.8865
990 UAN 0.8865
991 LI6 0.8865
992 DFU 0.8863
993 Q02 0.8863
994 1XA 0.8863
995 EQT 0.8862
996 RIP 0.8862
997 SMN 0.8861
998 PRO 0.8861
999 2FT 0.8860
1000 PMF 0.8860
1001 TZC 0.8859
1002 RBJ 0.8858
1003 HY3 0.8856
1004 HSE 0.8856
1005 2GS 0.8855
1006 7VP 0.8855
1007 30G 0.8855
1008 271 0.8854
1009 9KH 0.8853
1010 3RK 0.8853
1011 XQG 0.8853
1012 2PC 0.8852
1013 27B 0.8851
1014 PFB 0.8850
1015 B60 0.8849
1016 M3H 0.8848
1017 CWJ 0.8845
1018 TP5 0.8845
1019 ARB 0.8844
1020 GLT 0.8843
1021 NGO 0.8842
1022 SRO 0.8842
1023 FUC 0.8841
1024 M1Z 0.8841
1025 PO6 0.8839
1026 293 0.8838
1027 CXP 0.8838
1028 8NX 0.8838
1029 K17 0.8838
1030 2TQ 0.8837
1031 8NB 0.8837
1032 0CU 0.8837
1033 H33 0.8834
1034 FBJ 0.8833
1035 ZZ3 0.8830
1036 QBM 0.8829
1037 GZ3 0.8827
1038 R9Y 0.8826
1039 XUL 0.8825
1040 SR1 0.8824
1041 4VY 0.8823
1042 ESP 0.8823
1043 PPR 0.8822
1044 G5V 0.8822
1045 329 0.8821
1046 F1A 0.8820
1047 F81 0.8818
1048 1DV 0.8818
1049 RNO 0.8817
1050 UFO 0.8817
1051 APS 0.8816
1052 GLL 0.8815
1053 13P 0.8814
1054 8G0 0.8814
1055 OHG 0.8814
1056 JZ9 0.8812
1057 LDU 0.8812
1058 B85 0.8810
1059 MAQ 0.8810
1060 39A 0.8809
1061 TBS 0.8809
1062 HDL 0.8808
1063 EXO 0.8808
1064 XXR 0.8808
1065 344 0.8808
1066 GIO 0.8807
1067 GV9 0.8807
1068 R67 0.8807
1069 1X7 0.8807
1070 AHB 0.8806
1071 6OT 0.8806
1072 5WZ 0.8805
1073 ARP 0.8805
1074 SPV 0.8804
1075 DX3 0.8804
1076 RUY 0.8804
1077 KYA 0.8804
1078 A09 0.8803
1079 ZB1 0.8801
1080 BMA 0.8800
1081 WOT 0.8800
1082 ROI 0.8800
1083 2A7 0.8799
1084 0XT 0.8798
1085 61M 0.8797
1086 PPY 0.8796
1087 HSM 0.8796
1088 XRG 0.8795
1089 95Z 0.8793
1090 7B3 0.8792
1091 6VD 0.8791
1092 C1M 0.8790
1093 TAR 0.8789
1094 PYC 0.8789
1095 TAG 0.8787
1096 HX4 0.8787
1097 EDR 0.8784
1098 MZW 0.8784
1099 L22 0.8783
1100 0V5 0.8782
1101 SPA 0.8782
1102 PEQ 0.8782
1103 MT5 0.8782
1104 PRA 0.8782
1105 1DU 0.8782
1106 FK8 0.8781
1107 ARA 0.8780
1108 L14 0.8779
1109 GWM 0.8776
1110 TEO 0.8776
1111 MET 0.8776
1112 NF3 0.8775
1113 FRU 0.8775
1114 AS3 0.8773
1115 KFH 0.8773
1116 HQE 0.8773
1117 TSR 0.8769
1118 GGL 0.8769
1119 DA4 0.8769
1120 KGK 0.8769
1121 4CH 0.8769
1122 I4B 0.8767
1123 HYP 0.8766
1124 9CL 0.8763
1125 1AL 0.8762
1126 JFD 0.8762
1127 LAO 0.8762
1128 1U6 0.8760
1129 12M 0.8760
1130 9X7 0.8760
1131 7D2 0.8758
1132 S24 0.8757
1133 4JU 0.8756
1134 D07 0.8756
1135 PH3 0.8756
1136 AIN 0.8754
1137 7VJ 0.8753
1138 2ZQ 0.8752
1139 ADK 0.8752
1140 69O 0.8751
1141 KIB 0.8751
1142 PCR 0.8751
1143 Q71 0.8750
1144 2CL 0.8750
1145 680 0.8750
1146 JXN 0.8748
1147 IOS 0.8747
1148 2K8 0.8746
1149 ICF 0.8745
1150 FCB 0.8743
1151 H76 0.8743
1152 B5D 0.8742
1153 8K2 0.8742
1154 SIN 0.8742
1155 CXH 0.8741
1156 35C 0.8741
1157 GLY PRO 0.8740
1158 28N 0.8740
1159 KP6 0.8739
1160 L7T 0.8738
1161 QBS 0.8737
1162 5WX 0.8736
1163 NDM 0.8736
1164 B24 0.8735
1165 PLQ 0.8734
1166 PGH 0.8733
1167 FHN 0.8733
1168 HHI 0.8731
1169 NBE 0.8730
1170 RM4 0.8730
1171 PYJ 0.8730
1172 MSN 0.8729
1173 0TR 0.8729
1174 ITN 0.8725
1175 GCW 0.8725
1176 QX2 0.8725
1177 JUG 0.8724
1178 20J 0.8723
1179 NLE 0.8721
1180 SS2 0.8720
1181 CEE 0.8720
1182 APY 0.8719
1183 I6G 0.8718
1184 KMT 0.8716
1185 LG4 0.8713
1186 64K 0.8712
1187 X0W 0.8710
1188 K6X 0.8709
1189 G1O 0.8708
1190 DA1 0.8708
1191 MFB 0.8707
1192 O2A 0.8706
1193 IP0 0.8706
1194 URP 0.8705
1195 KMH 0.8704
1196 FPN 0.8701
1197 7CZ 0.8699
1198 HNQ 0.8698
1199 OW7 0.8697
1200 NTZ 0.8695
1201 51F 0.8694
1202 284 0.8693
1203 152 0.8691
1204 FHC 0.8691
1205 505 0.8690
1206 3V4 0.8689
1207 BK9 0.8686
1208 SME 0.8684
1209 TYE 0.8683
1210 UY7 0.8683
1211 265 0.8680
1212 HA7 0.8679
1213 9YL 0.8678
1214 3HG 0.8676
1215 091 0.8675
1216 JZ1 0.8674
1217 HCI 0.8673
1218 3YP 0.8672
1219 M6W 0.8671
1220 BP9 0.8671
1221 0OC 0.8670
1222 LRH 0.8670
1223 23W 0.8664
1224 HKD 0.8664
1225 ISE 0.8663
1226 INS 0.8654
1227 OA3 0.8654
1228 HHT 0.8653
1229 KIV 0.8650
1230 E35 0.8649
1231 5CL 0.8648
1232 AMG 0.8646
1233 JF2 0.8640
1234 II6 0.8638
1235 3BU 0.8636
1236 2BX 0.8630
1237 SF9 0.8629
1238 2AS 0.8626
1239 G3H 0.8620
1240 G3P 0.8620
1241 ARW 0.8620
1242 3MA 0.8620
1243 AHN 0.8618
1244 GOX 0.8617
1245 FUF 0.8616
1246 MAK 0.8616
1247 3C7 0.8614
1248 XQI 0.8613
1249 6DP 0.8612
1250 PX7 0.8602
1251 57O 0.8602
1252 9RH 0.8598
1253 IZC 0.8598
1254 GJS 0.8586
1255 CFA 0.8585
1256 MVL 0.8585
1257 XQK 0.8585
1258 GP9 0.8583
1259 NTM 0.8581
1260 LYS 0.8571
1261 40E 0.8569
1262 GOO 0.8566
1263 CRN 0.8562
1264 GBN 0.8561
1265 6XI 0.8560
1266 JF6 0.8557
1267 NCD 0.8556
1268 1QP 0.8555
1269 HDA 0.8553
1270 6X9 0.8549
1271 FLC 0.8548
1272 YSO 0.8522
Ligand no: 2; Ligand: XX3; Similar ligands found: 438
No: Ligand Similarity coefficient
1 VNL 0.9564
2 F31 0.9506
3 DNF 0.9425
4 DHB 0.9409
5 0HN 0.9405
6 0HO 0.9404
7 EUG 0.9397
8 P9P 0.9394
9 4NC 0.9376
10 INO 0.9376
11 MYJ 0.9369
12 93K 0.9367
13 1F1 0.9365
14 2HO 0.9354
15 OVM 0.9327
16 CHB 0.9323
17 QSB 0.9322
18 XXG 0.9309
19 091 0.9304
20 V55 0.9304
21 IJZ 0.9301
22 2ZM 0.9296
23 3NY 0.9295
24 OW4 0.9289
25 6NI 0.9288
26 IHB 0.9286
27 BDP 0.9284
28 9TW 0.9263
29 NGO 0.9262
30 GCU 0.9260
31 MWP 0.9255
32 6NT 0.9255
33 TWO 0.9231
34 FRU 0.9229
35 ICO 0.9225
36 3HB 0.9220
37 DBX 0.9219
38 GAB 0.9215
39 PDC 0.9215
40 GDE 0.9211
41 5OB 0.9206
42 GTQ 0.9198
43 40F 0.9198
44 JAW 0.9197
45 4AA 0.9192
46 15N 0.9189
47 OVV 0.9189
48 VOH 0.9188
49 DHK 0.9188
50 E7Z 0.9187
51 5RG 0.9179
52 XXP 0.9172
53 BMA 0.9167
54 DHS 0.9157
55 URC 0.9155
56 VXX 0.9152
57 HQD 0.9150
58 Q6T 0.9150
59 SKM 0.9149
60 X0V 0.9145
61 MAN 0.9144
62 3MB 0.9139
63 5NI 0.9138
64 NNO 0.9137
65 5RN 0.9134
66 8WO 0.9128
67 ZXD 0.9125
68 LNR 0.9123
69 5RO 0.9121
70 9FL 0.9118
71 IFP 0.9118
72 KJU 0.9116
73 ABI 0.9111
74 42C 0.9107
75 PD2 0.9102
76 0JD 0.9099
77 53C 0.9098
78 EOL 0.9098
79 SXS 0.9094
80 ADA 0.9093
81 2AL 0.9093
82 2MN 0.9092
83 6R8 0.9089
84 JLZ 0.9089
85 3A9 0.9087
86 NOJ 0.9087
87 FHB 0.9084
88 ORO 0.9084
89 ASC 0.9082
90 4P0 0.9079
91 069 0.9078
92 GLC 0.9070
93 BZ3 0.9070
94 Q88 0.9069
95 4ME 0.9067
96 6M4 0.9065
97 3OC 0.9064
98 4FH 0.9057
99 BCU 0.9056
100 ESP 0.9054
101 BGC 0.9054
102 92P 0.9054
103 4A3 0.9052
104 4HM 0.9052
105 5FN 0.9051
106 CTL 0.9050
107 3R9 0.9050
108 4P5 0.9050
109 3AB 0.9050
110 289 0.9045
111 BZ2 0.9044
112 4SX 0.9042
113 PFL 0.9042
114 GAL 0.9037
115 JTH 0.9036
116 DBH 0.9032
117 3HM 0.9030
118 CN0 0.9028
119 GTR 0.9028
120 3HA 0.9027
121 EKZ 0.9026
122 JDN 0.9025
123 MMA 0.9024
124 2C2 0.9024
125 3PF 0.9023
126 4WL 0.9021
127 KOJ 0.9017
128 HA5 0.9016
129 4AV 0.9014
130 0P6 0.9013
131 C2Y 0.9013
132 ASO 0.9012
133 LSA 0.9011
134 D1X 0.9010
135 GLA 0.9007
136 GCB 0.9006
137 TT4 0.9005
138 Z5P 0.9003
139 3F0 0.8997
140 M2K 0.8995
141 4XV 0.8992
142 L99 0.8992
143 PEP 0.8990
144 DOR 0.8989
145 XX2 0.8988
146 LT2 0.8983
147 HIS 0.8982
148 JB8 0.8982
149 3MG 0.8981
150 CIT 0.8979
151 FX1 0.8973
152 EVA 0.8971
153 5QY 0.8968
154 SRO 0.8964
155 Q71 0.8961
156 152 0.8960
157 NHG 0.8959
158 3Z8 0.8959
159 9ZE 0.8958
160 G3F 0.8953
161 0W8 0.8952
162 4TU 0.8952
163 CTS 0.8947
164 8GC 0.8946
165 8ZE 0.8946
166 INE 0.8945
167 3NT 0.8942
168 293 0.8940
169 51R 0.8940
170 4XR 0.8939
171 2TQ 0.8937
172 H62 0.8937
173 ATH 0.8934
174 HHA 0.8934
175 MR1 0.8933
176 SF6 0.8926
177 1P8 0.8924
178 SJ5 0.8923
179 7MK 0.8920
180 5GU 0.8920
181 4M4 0.8913
182 2O6 0.8913
183 RM1 0.8909
184 GLY PRO 0.8906
185 KBB 0.8904
186 RIB 0.8902
187 9R5 0.8901
188 SLS 0.8899
189 ICT 0.8898
190 TTL 0.8897
191 G3E 0.8897
192 DGJ 0.8892
193 SOL 0.8891
194 N2I 0.8888
195 RAT 0.8887
196 IFL 0.8887
197 NCT 0.8885
198 TRA 0.8882
199 GCS 0.8882
200 FA1 0.8881
201 AW5 0.8880
202 3DM 0.8879
203 NOY 0.8875
204 URQ 0.8874
205 5XC 0.8873
206 OIA 0.8870
207 ES2 0.8870
208 GLU 0.8870
209 MNM 0.8867
210 GTK 0.8867
211 1U6 0.8867
212 5QX 0.8864
213 NDG 0.8862
214 DOB 0.8861
215 AFR 0.8861
216 MZB 0.8858
217 5NU 0.8856
218 4CS 0.8855
219 NAG 0.8853
220 0LH 0.8853
221 B5D 0.8852
222 GXL 0.8850
223 2PG 0.8850
224 AVI 0.8847
225 2HU 0.8846
226 5CU 0.8845
227 EA1 0.8845
228 SAF 0.8845
229 TNX 0.8844
230 G2F 0.8843
231 DIE 0.8841
232 6FZ 0.8838
233 IF7 0.8838
234 BDF 0.8837
235 MAJ 0.8837
236 QIC 0.8836
237 H7Y 0.8835
238 G4D 0.8835
239 2CG 0.8834
240 4Z4 0.8832
241 PQK 0.8831
242 EYK 0.8830
243 H42 0.8829
244 JJQ 0.8828
245 8S0 0.8828
246 8OZ 0.8822
247 3ID 0.8822
248 JF4 0.8822
249 NGW 0.8821
250 NGT 0.8821
251 4NG 0.8816
252 0N7 0.8816
253 BHA 0.8816
254 6CS 0.8815
255 XCZ 0.8815
256 FCR 0.8815
257 173 0.8814
258 6VD 0.8814
259 OTD 0.8813
260 SOE 0.8811
261 MS9 0.8810
262 APG 0.8809
263 3R6 0.8808
264 GNL 0.8807
265 NSG 0.8807
266 TSS 0.8807
267 ICF 0.8807
268 D48 0.8806
269 DMJ 0.8806
270 LDP 0.8805
271 FA0 0.8805
272 FLC 0.8803
273 X09 0.8799
274 HJP 0.8799
275 2H5 0.8798
276 LGC 0.8796
277 OW7 0.8792
278 GOX 0.8791
279 A09 0.8790
280 2LY 0.8786
281 FBW 0.8786
282 FBV 0.8786
283 QAT 0.8785
284 HF2 0.8784
285 FIX 0.8784
286 44V 0.8783
287 J9T 0.8783
288 5HN 0.8782
289 PA1 0.8782
290 2F6 0.8781
291 R9S 0.8781
292 KBG 0.8780
293 DIG 0.8780
294 DYT 0.8780
295 NDH 0.8776
296 ALA PRO 0.8774
297 TTY 0.8773
298 SHA 0.8772
299 PHB 0.8771
300 AZ9 0.8770
301 YQA 0.8769
302 EDR 0.8764
303 ODO 0.8763
304 SE2 0.8762
305 TAG 0.8761
306 AEH 0.8761
307 GJS 0.8760
308 REL 0.8753
309 1Y6 0.8751
310 GCV 0.8751
311 R1P 0.8751
312 JVN 0.8751
313 XEN 0.8747
314 SR1 0.8747
315 GLN 0.8747
316 COU 0.8744
317 BEA 0.8743
318 WCE 0.8743
319 9YT 0.8743
320 FDK 0.8742
321 DMD 0.8742
322 TVP 0.8739
323 717 0.8736
324 FH2 0.8736
325 1AL 0.8736
326 KW8 0.8734
327 C5A 0.8734
328 ISZ 0.8733
329 2CZ 0.8730
330 GM7 0.8730
331 J5I 0.8729
332 BK9 0.8728
333 DGL 0.8723
334 TLA 0.8721
335 R8V 0.8721
336 HDL 0.8721
337 LKA 0.8721
338 HIO 0.8719
339 GLG 0.8714
340 TIU 0.8714
341 PEQ 0.8710
342 FB1 0.8710
343 SEP 0.8710
344 95Z 0.8709
345 RPQ 0.8708
346 GOO 0.8704
347 FE DB1 0.8704
348 K5W 0.8702
349 DEW 0.8700
350 2FY 0.8696
351 41K 0.8695
352 ARG 0.8695
353 TSU 0.8694
354 5WV 0.8694
355 JB5 0.8694
356 149 0.8692
357 UEG 0.8689
358 A7W 0.8688
359 7MU 0.8687
360 GLT 0.8684
361 4JT 0.8683
362 AZF 0.8682
363 9RH 0.8681
364 PXL 0.8680
365 GLO 0.8678
366 KUF 0.8677
367 LCN 0.8674
368 7N0 0.8670
369 SF9 0.8669
370 QUS 0.8669
371 1P3 0.8668
372 GZ8 0.8667
373 PSV 0.8666
374 AC6 0.8663
375 2BX 0.8662
376 ISN 0.8661
377 FUD 0.8659
378 TPO 0.8657
379 Q02 0.8657
380 DAL DAL 0.8656
381 N3W 0.8654
382 6LW 0.8649
383 XUL 0.8647
384 TRC 0.8646
385 IFM 0.8645
386 3BU 0.8644
387 N2Z 0.8644
388 RNS 0.8643
389 MT5 0.8641
390 2A9 0.8641
391 6RQ 0.8641
392 HDH 0.8640
393 AL0 0.8639
394 X8Z 0.8639
395 KVP 0.8638
396 ALL 0.8637
397 VGD 0.8636
398 CWS 0.8635
399 RMN 0.8635
400 NZ2 0.8635
401 9ON 0.8635
402 GLF 0.8634
403 AKG 0.8631
404 CDV 0.8624
405 PEZ 0.8624
406 NGA 0.8623
407 DHY 0.8622
408 0FN 0.8621
409 GCO 0.8619
410 32O 0.8616
411 DIN 0.8615
412 GZ3 0.8615
413 9SE 0.8614
414 M4E 0.8612
415 E4P 0.8606
416 AMH 0.8604
417 92K 0.8604
418 XSP 0.8601
419 CH9 0.8600
420 36R 0.8597
421 8VN 0.8597
422 X0W 0.8592
423 XM0 0.8592
424 LYL 0.8591
425 5VL 0.8590
426 FBM 0.8588
427 M4T 0.8587
428 ET2 0.8583
429 PIY 0.8582
430 N5J 0.8575
431 1SQ 0.8571
432 CLW 0.8564
433 PBA 0.8548
434 7W1 0.8545
435 W81 0.8544
436 39U 0.8541
437 7D2 0.8529
438 K2Q 0.8505
Ligand no: 3; Ligand: XXP; Similar ligands found: 689
No: Ligand Similarity coefficient
1 BDP 0.9341
2 GCU 0.9300
3 3PF 0.9273
4 3IT 0.9241
5 L14 0.9241
6 5QY 0.9229
7 4P0 0.9222
8 XXG 0.9217
9 3ID 0.9212
10 CN0 0.9205
11 4AA 0.9197
12 0N7 0.9190
13 3HA 0.9177
14 4NC 0.9174
15 XX3 0.9172
16 DHK 0.9155
17 G3E 0.9154
18 DBH 0.9148
19 AZ9 0.9148
20 3F0 0.9144
21 TEP 0.9135
22 INO 0.9131
23 XX2 0.9127
24 FE DB1 0.9126
25 SKM 0.9125
26 JBK 0.9123
27 LT2 0.9120
28 7MK 0.9111
29 SE2 0.9108
30 A7W 0.9103
31 HQD 0.9103
32 J5I 0.9090
33 3M0 0.9087
34 DMD 0.9085
35 Q71 0.9082
36 D48 0.9081
37 9KT 0.9071
38 J9W 0.9070
39 BCU 0.9063
40 ADA 0.9059
41 IJZ 0.9059
42 DHB 0.9055
43 93K 0.9053
44 LI6 0.9047
45 XYH 0.9045
46 SYA 0.9043
47 SJ5 0.9043
48 PRF 0.9041
49 DHI 0.9041
50 GLC 0.9039
51 3Z8 0.9037
52 LGC 0.9033
53 Q6T 0.9032
54 5RO 0.9032
55 RPQ 0.9029
56 DIN 0.9029
57 CTS 0.9029
58 42C 0.9026
59 NOJ 0.9026
60 EA1 0.9025
61 BGC 0.9024
62 ORO 0.9023
63 NNO 0.9018
64 K5W 0.9016
65 TTY 0.9014
66 4A3 0.9013
67 GDE 0.9011
68 ASC 0.9010
69 EUG 0.9009
70 ICO 0.9008
71 FHB 0.9005
72 KDG 0.9004
73 6ME 0.9003
74 2HO 0.9002
75 HHA 0.9001
76 FOT 0.9001
77 MZB 0.9000
78 5WY 0.9000
79 CWS 0.8999
80 DOR 0.8999
81 J9Q 0.8999
82 NDH 0.8998
83 0P6 0.8996
84 5RN 0.8993
85 F31 0.8989
86 B57 0.8987
87 ZB1 0.8985
88 0HO 0.8981
89 2C2 0.8980
90 BEA 0.8979
91 MYJ 0.8979
92 B5D 0.8978
93 VK3 0.8978
94 15L 0.8976
95 JTH 0.8976
96 6NT 0.8974
97 MEW 0.8973
98 VNL 0.8972
99 3A9 0.8972
100 DNF 0.8971
101 Q24 0.8971
102 3HM 0.8969
103 URC 0.8969
104 6R8 0.8966