Receptor
PDB id Resolution Class Description Source Keywords
4M5P 1.5 Å EC: 1.-.-.- OYE2.6 Y78W, I113C SCHEFFERSOMYCES STIPITIS TIM BARREL ALKENE REDUCTASE OXIDOREDUCTASE
Ref.: RESIDUES CONTROLLING FACIAL SELECTIVITY IN AN ALKEN REDUCTASE AND SEMIRATIONAL ALTERATIONS TO CREATE STEREOCOMPLEMENTARY VARIANTS. ACS CATALYSIS V. 4 2307 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:501;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
MLA A:502;
A:507;
A:503;
Invalid;
Valid;
Invalid;
none;
none;
none;
submit data
104.061 C3 H4 O4 C(C(=...
NA A:506;
A:504;
A:505;
Invalid;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
22.99 Na [Na+]
23W A:508;
Valid;
none;
submit data
116.115 C5 H8 O3 COC(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4M5P 1.5 Å EC: 1.-.-.- OYE2.6 Y78W, I113C SCHEFFERSOMYCES STIPITIS TIM BARREL ALKENE REDUCTASE OXIDOREDUCTASE
Ref.: RESIDUES CONTROLLING FACIAL SELECTIVITY IN AN ALKEN REDUCTASE AND SEMIRATIONAL ALTERATIONS TO CREATE STEREOCOMPLEMENTARY VARIANTS. ACS CATALYSIS V. 4 2307 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 4M5P - MLA C3 H4 O4 C(C(=O)O)C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 4M5P - MLA C3 H4 O4 C(C(=O)O)C....
50% Homology Family (75)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1H60 Kd = 20 uM STR C21 H30 O2 CC(=O)[C@H....
2 3P7Y - P7Y C8 H7 N O3 c1ccc(c(c1....
3 1H50 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3P67 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 3KFT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1VYP Kd = 0.07 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
7 3P74 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1GVQ - A2Q C6 H8 O C1CC=CC(=O....
9 5LGX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2ABA Kd = 0.7 uM STR C21 H30 O2 CC(=O)[C@H....
11 6GIA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 6GI7 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 1VYS Kd = 0.24 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
14 1GVO - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 3P81 - P81 C8 H7 N O3 c1cc(ccc1/....
16 5LGZ - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
17 3P62 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 6GI9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 3P82 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1GVR - TNL C7 H5 N3 O6 Cc1c(cc(cc....
21 1H63 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 1H62 Kd = 17 uM ANB C19 H24 O2 C[C@]12CC[....
23 1GVS - TNF C6 H3 N3 O7 c1c(cc(c(c....
24 1H61 Kd = 13 uM PDN C21 H26 O5 C[C@]12CC(....
25 3P80 - P80 C8 H7 N O3 c1cc(cc(c1....
26 2ABB - IPA C3 H8 O CC(C)O
27 6GI8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
28 1VYR Kd = 5.4 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
29 1H51 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
30 2GQ9 - HBA C7 H6 O2 c1cc(ccc1C....
31 2GQ8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
32 2GOU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
33 2GQA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
34 2HS8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
35 2HS6 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
36 3HGO - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
37 2HSA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
38 3HGS - PHB C7 H6 O3 c1cc(ccc1C....
39 1OYB - HBA C7 H6 O2 c1cc(ccc1C....
40 1OYC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
41 1BWK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
42 1OYA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
43 6AGZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
44 4M5P - MLA C3 H4 O4 C(C(=O)O)C....
45 4TMB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
46 4TMC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
47 6S32 - BAM C7 H9 N2 c1ccc(cc1)....
48 1ICS - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
49 3HGR - PHB C7 H6 O3 c1cc(ccc1C....
50 1ICP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
51 1ICQ - OPD C18 H28 O3 CCC=CC[C@@....
52 3ATY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
53 3ATZ - HBA C7 H6 O2 c1cc(ccc1C....
54 6UFF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
55 6MYW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
56 6O08 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
57 1Q45 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
58 2Q3O - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
59 2R14 Kd = 0.63 mM TXD C21 H31 N7 O14 P2 c1nc(c2c(n....
60 3GX9 - TXD C21 H31 N7 O14 P2 c1nc(c2c(n....
61 1GWJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
62 1VJI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
63 2Q3R - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
64 4JIQ Kd = 0.73 mM 1L5 C9 H9 N O2 C/C(=CN(=O....
65 4JIP - HBA C7 H6 O2 c1cc(ccc1C....
66 4JIC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
67 5N6G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
68 4QNW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
69 6S31 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70 6S23 - KSW C6 H6 O CC1=CC=CC1....
71 6S0G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
72 4RNX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
73 4RNV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
74 4RNW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
75 4A3U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FMN; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 9O9 0.574468 0.934211
4 RS3 0.571429 0.831169
5 FAD 0.543307 0.876543
6 FAS 0.543307 0.876543
7 FAE 0.539062 0.865854
8 UBG 0.534351 0.888889
9 5DD 0.475248 0.972603
10 LFN 0.475 0.643836
11 C3F 0.473684 0.74359
12 CF4 0.463918 0.734177
13 FAY 0.446043 0.864198
14 FNR 0.444444 0.909091
15 RFL 0.442857 0.845238
16 4LS 0.411215 0.875
17 1VY 0.406593 0.769231
18 DLZ 0.404494 0.782051
Ligand no: 2; Ligand: MLA; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 MLA 1 1
2 AAE 0.6 0.631579
3 6JN 0.6 0.789474
4 3OH 0.533333 0.619048
5 SIN 0.5 0.722222
6 98J 0.428571 0.608696
7 GUA 0.411765 0.65
8 0L1 0.411765 0.619048
Ligand no: 3; Ligand: 23W; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 23W 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: FMN; Similar ligands found: 10
No: Ligand Similarity coefficient
1 7O6 0.9670
2 4X4 0.8996
3 4LU 0.8884
4 E2U 0.8865
5 HDF 0.8834
6 AFQ 0.8817
7 E2X 0.8805
8 E89 0.8698
9 1WJ 0.8673
10 FZZ 0.8606
Ligand no: 2; Ligand: MLA; Similar ligands found: 743
No: Ligand Similarity coefficient
1 MLI 1.0000
2 9CL 1.0000
3 C5J 1.0000
4 3HR 1.0000
5 IVA 1.0000
6 MLM 1.0000
7 DMG 1.0000
8 P2D 1.0000
9 3HL 0.9990
10 CEJ 0.9827
11 PRO 0.9815
12 DTL 0.9807
13 MAK 0.9786
14 24T 0.9786
15 HV2 0.9785
16 IPU 0.9779
17 2PC 0.9766
18 DPR 0.9766
19 PYC 0.9744
20 VAL 0.9735
21 3PY 0.9735
22 E60 0.9734
23 ALO 0.9733
24 OXL 0.9732
25 THR 0.9728
26 KIV 0.9722
27 FOA 0.9715
28 BVC 0.9713
29 AOA 0.9712
30 HYN 0.9708
31 CXL 0.9692
32 CYH 0.9692
33 25T 0.9686
34 NMG 0.9680
35 BU4 0.9677
36 HAI 0.9671
37 JBN 0.9671
38 273 0.9661
39 4JU 0.9659
40 BAL 0.9658
41 J1Z 0.9655
42 BUQ 0.9652
43 TFB 0.9651
44 265 0.9646
45 PRS 0.9643
46 IQ0 0.9638
47 MAE 0.9638
48 HX2 0.9632
49 AKB 0.9631
50 S0H 0.9625
51 EGD 0.9624
52 MZ0 0.9624
53 SER 0.9622
54 RP7 0.9620
55 284 0.9616
56 SHF 0.9612
57 HDA 0.9610
58 BMD 0.9609
59 TP5 0.9608
60 SSN 0.9607
61 CHT 0.9604
62 MPD 0.9603
63 IPH 0.9600
64 ABU 0.9598
65 2KT 0.9597
66 LEA 0.9597
67 C21 0.9594
68 FUM 0.9593
69 TZC 0.9592
70 69O 0.9591
71 BUA 0.9591
72 JAB 0.9587
73 2HE 0.9586
74 SAR 0.9584
75 XIX 0.9581
76 HVQ 0.9581
77 V1L 0.9578
78 NVI 0.9577
79 CP 0.9572
80 1AC 0.9571
81 CRS 0.9570
82 4MV 0.9565
83 1DH 0.9564
84 2IM 0.9563
85 IHG 0.9558
86 RCO 0.9554
87 URA 0.9554
88 SMV 0.9553
89 KG7 0.9552
90 DAL 0.9550
91 POA 0.9548
92 L60 0.9547
93 GOL 0.9546
94 SAT 0.9545
95 A2Q 0.9544
96 HPY 0.9543
97 HSE 0.9537
98 192 0.9532
99 HIU 0.9529
100 OXD 0.9526
101 AMC 0.9525
102 3CH 0.9525
103 DXX 0.9524
104 XPO 0.9523
105 TB6 0.9523
106 HUI 0.9521
107 T2C 0.9518
108 H95 0.9518
109 23W 0.9514
110 DCL 0.9512
111 FJO 0.9511
112 DUC 0.9510
113 PLQ 0.9509
114 DGY 0.9508
115 03W 0.9508
116 MSF 0.9507
117 2MH 0.9505
118 PRI 0.9503
119 93B 0.9503
120 7VD 0.9499
121 PAE 0.9496
122 8X3 0.9494
123 7EX 0.9493
124 DSN 0.9483
125 MTG 0.9482
126 PPF 0.9480
127 CYT 0.9474
128 282 0.9474
129 1MR 0.9474
130 LER 0.9474
131 BUB 0.9473
132 JZ5 0.9473
133 3BB 0.9469
134 PYR 0.9469
135 TAU 0.9469
136 MRY 0.9468
137 C2N 0.9468
138 1DU 0.9466
139 LG3 0.9466
140 HGY 0.9462
141 HQE 0.9459
142 ECE 0.9458
143 26D 0.9454
144 XAP 0.9453
145 SYN 0.9451
146 2OP 0.9451
147 LG5 0.9450
148 FPN 0.9449
149 GXE 0.9449
150 BVF 0.9449
151 MBN 0.9447
152 LAC 0.9446
153 HBS 0.9445
154 ABA 0.9441
155 PCT 0.9439
156 BVG 0.9439
157 IDH 0.9437
158 FBJ 0.9436
159 SMB 0.9434
160 ITU 0.9433
161 4AP 0.9429
162 CYS 0.9428
163 ATQ 0.9427
164 GXV 0.9426
165 DA1 0.9426
166 BXO 0.9425
167 OHG 0.9425
168 FPI 0.9425
169 9PO 0.9424
170 4HA 0.9423
171 2EZ 0.9422
172 3AP 0.9422
173 H3M 0.9420
174 PCR 0.9420
175 8GF 0.9419
176 1KA 0.9416
177 FW5 0.9413
178 HVK 0.9413
179 WOT 0.9413
180 HRZ 0.9411
181 MZW 0.9410
182 HBX 0.9408
183 6SP 0.9402
184 2AP 0.9402
185 ALQ 0.9398
186 BAE 0.9398
187 39J 0.9398
188 HCS 0.9397
189 PUT 0.9395
190 PXY 0.9394
191 3ZQ 0.9391
192 A3B 0.9390
193 SLP 0.9387
194 DBB 0.9386
195 ABN 0.9385
196 2RA 0.9384
197 LG4 0.9383
198 PYF 0.9383
199 BAQ 0.9382
200 ETX 0.9381
201 HBR 0.9377
202 P7I 0.9376
203 THE 0.9374
204 DE2 0.9374
205 1CB 0.9373
206 VX 0.9372
207 TAY 0.9372
208 ALA 0.9370
209 HSM 0.9370
210 PYM 0.9368
211 40O 0.9366
212 9X7 0.9365
213 RSF 0.9364
214 4H2 0.9364
215 NBE 0.9363
216 IND 0.9362
217 LZ1 0.9362
218 UY7 0.9361
219 APY 0.9361
220 25R 0.9360
221 GVH 0.9360
222 0R1 0.9359
223 PY7 0.9359
224 AC5 0.9359
225 HGQ 0.9358
226 GBL 0.9357
227 CIG 0.9356
228 BZF 0.9355
229 MPI 0.9354
230 BZI 0.9354
231 OXM 0.9354
232 DCY 0.9353
233 M6W 0.9348
234 FCN 0.9348
235 PG3 0.9347
236 M3T 0.9347
237 9YL 0.9346
238 LGA 0.9345
239 DEN 0.9340
240 BP9 0.9338
241 DAB 0.9332
242 TMT 0.9332
243 NIS 0.9330
244 8CL 0.9328
245 HEW 0.9325
246 HYP 0.9325
247 4JP 0.9322
248 TMZ 0.9320
249 ILE 0.9318
250 BTL 0.9316
251 BEZ 0.9314
252 2HA 0.9314
253 BEN 0.9313
254 ODV 0.9310
255 MB3 0.9309
256 B3R 0.9307
257 IDM 0.9306
258 BML 0.9302
259 PCA 0.9298
260 4CH 0.9297
261 HZP 0.9295
262 285 0.9293
263 XYS 0.9291
264 UYA 0.9291
265 FLA 0.9290
266 COM 0.9289
267 GBD 0.9286
268 0CT 0.9285
269 ICC 0.9285
270 5AC 0.9282
271 IZC 0.9277
272 OXQ 0.9273
273 CAQ 0.9272
274 TF4 0.9272
275 GAG 0.9270
276 YCP 0.9270
277 1SP 0.9269
278 NIO 0.9266
279 6PC 0.9266
280 1DQ 0.9265
281 NAK 0.9264
282 JZ7 0.9261
283 AMT 0.9261
284 PYJ 0.9261
285 54D 0.9260
286 3MT 0.9258
287 ETM 0.9257
288 XYP 0.9257
289 GG6 0.9256
290 NCA 0.9254
291 MTD 0.9252
292 QSC 0.9251
293 FMS 0.9250
294 4HS 0.9248
295 1AB 0.9247
296 YHO 0.9247
297 JZ9 0.9244
298 HHN 0.9243
299 WTZ 0.9242
300 BAM 0.9242
301 R2B 0.9241
302 EDG 0.9240
303 60P 0.9238
304 4JN 0.9236
305 XBT 0.9232
306 TTO 0.9232
307 NVA 0.9230
308 MEU 0.9229
309 LDU 0.9229
310 NBZ 0.9227
311 A8C 0.9225
312 3GR 0.9224
313 4XX 0.9222
314 LLQ 0.9219
315 OXE 0.9219
316 B24 0.9218
317 OPE 0.9217
318 OAA 0.9215
319 UNU 0.9215
320 ZBT 0.9215
321 TFS 0.9212
322 FPY 0.9211
323 PZA 0.9211
324 9SB 0.9211
325 QFH 0.9211
326 HHQ 0.9210
327 ETF 0.9209
328 TZL 0.9207
329 HY3 0.9206
330 ISU 0.9205
331 93Q 0.9204
332 L89 0.9200
333 VGL 0.9199
334 1AN 0.9199
335 1PT 0.9198
336 JZ0 0.9198
337 GLY ALA 0.9196
338 PE9 0.9192
339 23B 0.9191
340 VAH 0.9190
341 8LG 0.9190
342 TH0 0.9187
343 MZY 0.9187
344 PGA 0.9184
345 NXA 0.9183
346 MMU 0.9183
347 MRZ 0.9180
348 76X 0.9179
349 280 0.9178
350 SS2 0.9177
351 TDR 0.9175
352 NTN 0.9174
353 BEW 0.9174
354 URF 0.9173
355 FP2 0.9172
356 MLT 0.9171
357 TEO 0.9171
358 DTU 0.9171
359 92Z 0.9170
360 2AF 0.9168
361 4MZ 0.9166
362 A20 0.9160
363 3TR 0.9159
364 14J 0.9155
365 CRN 0.9153
366 SGL 0.9152
367 5MP 0.9151
368 BUO 0.9149
369 PAH 0.9147
370 OK7 0.9146
371 2MZ 0.9145
372 2CH 0.9144
373 PIH 0.9143
374 MR3 0.9139
375 HOW 0.9139
376 AC0 0.9136
377 HGW 0.9135
378 4HO 0.9134
379 NBN 0.9134
380 PIS 0.9131
381 IOL 0.9129
382 275 0.9129
383 1MZ 0.9126
384 AML 0.9126
385 M58 0.9120
386 4DX 0.9120
387 XRG 0.9120
388 XBZ 0.9120
389 NK 0.9116
390 2AI 0.9116
391 LMR 0.9115
392 HTS 0.9114
393 DTI 0.9112
394 DSS 0.9112
395 XYL 0.9112
396 RB5 0.9112
397 KSW 0.9111
398 IT2 0.9109
399 ITN 0.9108
400 1MC 0.9106
401 HY1 0.9106
402 UGC 0.9106
403 3SS 0.9106
404 PBC 0.9102
405 7WG 0.9102
406 SS1 0.9101
407 4ZE 0.9100
408 2RH 0.9099
409 WBU 0.9098
410 MWM 0.9098
411 CSS 0.9098
412 40E 0.9097
413 FQI 0.9094
414 MCT 0.9093
415 AHR 0.9091
416 2AC 0.9087
417 JZ6 0.9085
418 34A 0.9085
419 PPV 0.9084
420 MMZ 0.9081
421 IOM 0.9080
422 EFS 0.9078
423 5UC 0.9078
424 3MC 0.9074
425 3CL 0.9074
426 CMS 0.9074
427 HSL 0.9073
428 YAN 0.9071
429 PYD 0.9069
430 ICP 0.9069
431 2MP 0.9068
432 2YU 0.9067
433 XYD 0.9065
434 2DR 0.9064
435 R8A 0.9063
436 HBA 0.9061
437 R1X 0.9060
438 PYG 0.9059
439 JYD 0.9059
440 LEU 0.9058
441 IUR 0.9058
442 6X8 0.9055
443 5Y9 0.9054
444 DAS 0.9054
445 5KX 0.9053
446 BNS 0.9053
447 KPL 0.9052
448 TM7 0.9052
449 LXC 0.9051
450 ASN 0.9050
451 2K4 0.9049
452 IMR 0.9048
453 BZX 0.9048
454 JZ2 0.9048
455 3ZS 0.9043
456 CRD 0.9043
457 D2P 0.9042
458 286 0.9042
459 COI 0.9040
460 ASP 0.9040
461 5H1 0.9039
462 CIZ 0.9038
463 L3Q 0.9038
464 RSO 0.9036
465 4CL 0.9034
466 EHM 0.9034
467 938 0.9033
468 C2A 0.9033
469 278 0.9032
470 47J 0.9029
471 DYA 0.9029
472 HE2 0.9029
473 14O 0.9028
474 4AX 0.9024
475 9A7 0.9023
476 POP 0.9022
477 5MI 0.9019
478 4JJ 0.9018
479 2PN 0.9017
480 FBA 0.9016
481 SPA 0.9015
482 13D 0.9015
483 4VP 0.9013
484 6AI 0.9011
485 5MB 0.9011
486 F60 0.9011
487 TZE 0.9009
488 JZ3 0.9009
489 43M 0.9008
490 HT4 0.9008
491 BYZ 0.9008
492 HYA 0.9004
493 51F 0.9004
494 NCM 0.9004
495 A1U 0.9001
496 DMI 0.8999
497 PHB 0.8999
498 FAN 0.8996
499 FLM 0.8994
500 GMN 0.8992
501 27Y 0.8992
502 RBL 0.8991
503 3FA 0.8991
504 2C9 0.8991
505 FFP 0.8990
506 TAR 0.8989
507 HLT 0.8989
508 9A4 0.8989
509 PAF 0.8988
510 3MH 0.8987
511 MBD 0.8986
512 XUL 0.8983
513 4JL 0.8982
514 5JC 0.8980
515 GLV 0.8978
516 4JO 0.8976
517 QOS 0.8974
518 HLR 0.8974
519 5MH 0.8973
520 9TY 0.8972
521 MWJ 0.8972
522 1XX 0.8970
523 VSO 0.8969
524 2MY 0.8968
525 Z6J 0.8968
526 PXO 0.8968
527 XLS 0.8967
528 GLY 0.8965
529 BR9 0.8965
530 4SD 0.8965
531 ES9 0.8963
532 9EW 0.8957
533 PKU 0.8956
534 MZG 0.8956
535 MMQ 0.8955
536 ICN 0.8951
537 URP 0.8950
538 ES3 0.8948
539 JZ1 0.8948
540 JAE 0.8948
541 0TR 0.8947
542 11S 0.8946
543 FAH 0.8944
544 DMV 0.8942
545 HIO 0.8942
546 GOA 0.8942
547 0R0 0.8940
548 ARB 0.8939
549 0RW 0.8938
550 3CE 0.8938
551 6M4 0.8935
552 IFM 0.8935
553 RIB 0.8931
554 AKR 0.8931
555 TLA 0.8930
556 PYZ 0.8928
557 AGK 0.8927
558 6MH 0.8926
559 NIE 0.8926
560 7CZ 0.8925
561 OXZ 0.8923
562 PPI 0.8919
563 H4N 0.8917
564 2CM 0.8917
565 FK1 0.8915
566 F05 0.8914
567 M2H 0.8911
568 ISZ 0.8904
569 AX7 0.8902
570 270 0.8902
571 GIF 0.8893
572 AZF 0.8886
573 1DW 0.8884
574 0MK 0.8877
575 FUL 0.8876
576 8NY 0.8875
577 QUZ 0.8873
578 HSW 0.8870
579 6M9 0.8870
580 1DV 0.8868
581 TLD 0.8868
582 2MI 0.8863
583 PEL 0.8863
584 SRT 0.8858
585 SVN 0.8857
586 O7U 0.8856
587 ABV 0.8855
588 RIP 0.8855
589 CFI 0.8855
590 P92 0.8854
591 DUB 0.8854
592 Y8I 0.8851
593 FEH 0.8849
594 2CO 0.8848
595 NPO 0.8847
596 MET 0.8846
597 64K 0.8846
598 4JM 0.8844
599 4CS 0.8843
600 XM0 0.8842
601 BHO 0.8839
602 NMU 0.8834
603 CXF 0.8834
604 NIZ 0.8834
605 TM4 0.8830
606 GLU 0.8830
607 3Q7 0.8826
608 FUC 0.8823
609 F3V 0.8821
610 CNH 0.8821
611 FCA 0.8819
612 C2B 0.8817
613 PM6 0.8817
614 MXN 0.8811
615 SNE 0.8809
616 2XX 0.8809
617 NPY 0.8808
618 TAN 0.8806
619 HVB 0.8804
620 URQ 0.8803
621 PBE 0.8803
622 ARA 0.8803
623 B20 0.8800
624 9X6 0.8798
625 ADE 0.8798
626 DFU 0.8797
627 F50 0.8792
628 ICF 0.8791
629 DFB 0.8786
630 717 0.8784
631 271 0.8782
632 BNZ 0.8781
633 2CK 0.8779
634 BP1 0.8775
635 4SV 0.8773
636 HAE 0.8772
637 3V4 0.8772
638 3OC 0.8772
639 FSG 0.8769
640 CEE 0.8768
641 34V 0.8768
642 MGX 0.8764
643 F9P 0.8762
644 FUF 0.8759
645 JBE 0.8758
646 FBM 0.8758
647 2A1 0.8758
648 61G 0.8757
649 SAL 0.8757
650 R8S 0.8757
651 SPV 0.8756
652 RUU 0.8753
653 23A 0.8753
654 PEA 0.8751
655 TMH 0.8749
656 H8N 0.8747
657 10L 0.8746
658 ES4 0.8744
659 R3W 0.8743
660 4XR 0.8743
661 0PY 0.8743
662 3U4 0.8739
663 13P 0.8739
664 MDN 0.8736
665 KOJ 0.8736
666 YTB 0.8735
667 JKE 0.8735
668 GLY GLY 0.8735
669 PHZ 0.8733
670 GLL 0.8732
671 3NT 0.8731
672 FYU 0.8730
673 BE2 0.8729
674 5HN 0.8729
675 HPA 0.8727
676 ORN 0.8723
677 2AS 0.8722
678 Z82 0.8722
679 HMH 0.8721
680 AGU 0.8719
681 NHY 0.8717
682 6MP 0.8716
683 ZZT 0.8716
684 94N 0.8716
685 1WD 0.8715
686 ABE 0.8715
687 8GC 0.8714
688 1DJ 0.8712
689 TSZ 0.8706
690 24B 0.8706
691 8H8 0.8706
692 P1R 0.8703
693 H76 0.8703
694 BBU 0.8703
695 BXA 0.8701
696 7WA 0.8701
697 MNN 0.8700
698 7N0 0.8695
699 TH7 0.8694
700 3HB 0.8693
701 150 0.8688
702 GAB 0.8686
703 3AB 0.8686
704 ATO 0.8683
705 NMJ 0.8679
706 NSP 0.8678
707 2CQ 0.8678
708 7WV 0.8677
709 13X 0.8677
710 ES6 0.8672
711 PAB 0.8671
712 HMU 0.8670
713 1BP 0.8668
714 DQY 0.8668
715 3SK 0.8666
716 4ZC 0.8665
717 3XX 0.8661
718 3Z7 0.8661
719 MUC 0.8660
720 WCE 0.8656
721 FUB 0.8646
722 HBD 0.8645
723 7HP 0.8641
724 2ZX 0.8640
725 5ZE 0.8634
726 1Y6 0.8631
727 PBZ 0.8630
728 53C 0.8626
729 KYD 0.8624
730 PMB 0.8622
731 TB0 0.8619
732 6UA 0.8611
733 WDL 0.8609
734 VNJ 0.8605
735 PEP 0.8603
736 3AY 0.8603
737 BRP 0.8603
738 GLC 0.8595
739 AX2 0.8589
740 FB2 0.8574
741 6HQ 0.8565
742 TPA 0.8556
743 BR8 0.8532
Ligand no: 3; Ligand: 23W; Similar ligands found: 990
No: Ligand Similarity coefficient
1 MRY 1.0000
2 DTL 1.0000
3 DTU 0.9905
4 LER 0.9804
5 3PY 0.9659
6 SER 0.9655
7 AMC 0.9644
8 FW5 0.9630
9 DSN 0.9621
10 DMG 0.9616
11 2KT 0.9599
12 2RA 0.9590
13 P2D 0.9584
14 03W 0.9574
15 C5J 0.9568
16 CYS 0.9565
17 RSF 0.9562
18 284 0.9558
19 RCO 0.9556
20 DXX 0.9555
21 HPY 0.9547
22 KG7 0.9546
23 SMB 0.9544
24 1AB 0.9544
25 CRS 0.9540
26 A3B 0.9535
27 DGY 0.9533
28 HIU 0.9532
29 C2N 0.9532
30 EDG 0.9525
31 HUI 0.9520
32 R2B 0.9520
33 DBB 0.9516
34 DCY 0.9514
35 MLA 0.9514
36 MLI 0.9501
37 3CH 0.9499
38 AHR 0.9497
39 4JU 0.9488
40 XYS 0.9488
41 XYP 0.9486
42 URA 0.9485
43 BVF 0.9481
44 RP7 0.9480
45 NK 0.9474
46 HDA 0.9473
47 LG5 0.9460
48 286 0.9460
49 DE2 0.9460
50 1SP 0.9456
51 URF 0.9454
52 IHG 0.9452
53 BP9 0.9451
54 26D 0.9451
55 2MH 0.9449
56 4H2 0.9448
57 XBT 0.9445
58 LG3 0.9442
59 1AC 0.9440
60 OHG 0.9439
61 MZW 0.9435
62 CYT 0.9434
63 9X7 0.9432
64 4SD 0.9429
65 B3R 0.9428
66 3ZQ 0.9427
67 SGL 0.9425
68 24T 0.9420
69 ABA 0.9418
70 WBU 0.9418
71 SYN 0.9415
72 25T 0.9412
73 DCD 0.9412
74 M3T 0.9409
75 BEW 0.9408
76 HEW 0.9405
77 CIG 0.9403
78 THR 0.9396
79 ILE 0.9389
80 HGQ 0.9387
81 H3M 0.9385
82 1MR 0.9385
83 FPY 0.9382
84 39J 0.9382
85 CXL 0.9382
86 CYH 0.9382
87 HAI 0.9380
88 PRO 0.9379
89 B24 0.9376
90 1XX 0.9376
91 4CH 0.9375
92 THE 0.9374
93 47J 0.9370
94 PY7 0.9370
95 1DH 0.9370
96 IFM 0.9369
97 CEJ 0.9369
98 DAB 0.9369
99 DTT 0.9367
100 AAE 0.9366
101 FPI 0.9361
102 TP5 0.9356
103 HBX 0.9353
104 OXZ 0.9353
105 1PT 0.9352
106 8GF 0.9351
107 ZBT 0.9351
108 PYR 0.9349
109 DUC 0.9348
110 282 0.9346
111 MWM 0.9340
112 PRS 0.9339
113 MCT 0.9337
114 HSE 0.9337
115 BML 0.9337
116 PRI 0.9332
117 JZ3 0.9330
118 ICP 0.9328
119 PYD 0.9328
120 TDR 0.9327
121 2YU 0.9327
122 HHQ 0.9327
123 ROR 0.9326
124 PXY 0.9326
125 DCL 0.9326
126 OXL 0.9325
127 2AC 0.9323
128 4HO 0.9323
129 1MC 0.9322
130 PYG 0.9322
131 40O 0.9320
132 PYF 0.9320
133 XYD 0.9320
134 4ZE 0.9319
135 2OP 0.9319
136 4ZC 0.9318
137 XBZ 0.9316
138 BAE 0.9316
139 IDH 0.9315
140 PLQ 0.9314
141 34A 0.9313
142 FYU 0.9313
143 APY 0.9312
144 2MP 0.9312
145 9CL 0.9312
146 5JC 0.9312
147 HT4 0.9311
148 PYJ 0.9311
149 ABN 0.9311
150 2PC 0.9310
151 BUA 0.9310
152 QOS 0.9309
153 A1U 0.9309
154 VAL 0.9309
155 285 0.9307
156 C2A 0.9307
157 LDU 0.9307
158 XYL 0.9304
159 RB0 0.9304
160 RB5 0.9304
161 ALO 0.9304
162 280 0.9303
163 OXM 0.9302
164 FOA 0.9300
165 SRT 0.9300
166 UGC 0.9298
167 265 0.9298
168 JZ7 0.9297
169 PYC 0.9297
170 HBA 0.9296
171 TMT 0.9294
172 HGY 0.9293
173 SSN 0.9292
174 GBD 0.9291
175 DA1 0.9291
176 R1X 0.9290
177 IMR 0.9290
178 HQE 0.9290
179 OXD 0.9288
180 9YL 0.9288
181 TM7 0.9286
182 2IM 0.9286
183 1DU 0.9286
184 AKB 0.9286
185 TAR 0.9286
186 5MH 0.9285
187 IPH 0.9284
188 MZG 0.9282
189 E60 0.9281
190 HMH 0.9280
191 LAC 0.9280
192 FPN 0.9279
193 HMU 0.9277
194 TMZ 0.9277
195 MB3 0.9276
196 ITU 0.9274
197 LG4 0.9274
198 4CL 0.9273
199 HYA 0.9273
200 PCR 0.9273
201 4JJ 0.9271
202 JZ2 0.9270
203 CIZ 0.9269
204 HYN 0.9269
205 J1Z 0.9268
206 HCS 0.9267
207 1DW 0.9267
208 0R0 0.9266
209 5UC 0.9266
210 2DR 0.9266
211 273 0.9263
212 60P 0.9263
213 3XX 0.9262
214 25R 0.9261
215 TH0 0.9259
216 93B 0.9257
217 DAL 0.9256
218 TZL 0.9256
219 LMR 0.9255
220 T2C 0.9255
221 LXC 0.9254
222 PAF 0.9253
223 BAL 0.9253
224 NEQ 0.9252
225 MAE 0.9252
226 HIO 0.9251
227 3HL 0.9251
228 JZ1 0.9249
229 3Z7 0.9249
230 43M 0.9248
231 4VP 0.9243
232 HVQ 0.9241
233 BVC 0.9241
234 ZZT 0.9240
235 JBN 0.9239
236 BU4 0.9238
237 4JN 0.9238
238 ALA 0.9238
239 KIV 0.9237
240 SIN 0.9237
241 OXQ 0.9236
242 EHM 0.9235
243 AGK 0.9234
244 27Y 0.9233
245 DMV 0.9229
246 DAS 0.9229
247 4HS 0.9226
248 6M4 0.9226
249 7WG 0.9224
250 NVA 0.9223
251 M2H 0.9223
252 HY3 0.9223
253 CSS 0.9221
254 DEN 0.9220
255 GLY ALA 0.9220
256 MWJ 0.9219
257 R8S 0.9218
258 4JL 0.9216
259 JZ5 0.9215
260 TZC 0.9215
261 GMN 0.9214
262 KSW 0.9214
263 5FX 0.9213
264 TM4 0.9213
265 6MH 0.9213
266 TLA 0.9212
267 BR9 0.9211
268 23A 0.9209
269 SMV 0.9209
270 C21 0.9209
271 ALQ 0.9209
272 NVI 0.9207
273 YHO 0.9206
274 2MY 0.9205
275 TZZ 0.9204
276 2CM 0.9203
277 24B 0.9202
278 MMZ 0.9202
279 AZF 0.9201
280 MAK 0.9199
281 MBD 0.9197
282 4JO 0.9197
283 HZP 0.9195
284 IDM 0.9194
285 PCA 0.9192
286 LZ1 0.9192
287 PHB 0.9192
288 GXE 0.9191
289 L60 0.9191
290 2C9 0.9189
291 MPI 0.9189
292 TLD 0.9188
293 ODV 0.9186
294 DUB 0.9185
295 NCA 0.9183
296 JZ9 0.9183
297 IND 0.9183
298 3MC 0.9182
299 XIX 0.9182
300 ASP 0.9182
301 A2Q 0.9181
302 2AS 0.9179
303 TZE 0.9177
304 XUL 0.9177
305 0R1 0.9176
306 275 0.9176
307 RSO 0.9175
308 54D 0.9173
309 TFB 0.9173
310 MLM 0.9172
311 RBL 0.9172
312 GVH 0.9171
313 C2B 0.9171
314 6PC 0.9171
315 PUT 0.9171
316 P3K 0.9170
317 IQ0 0.9170
318 SAR 0.9169
319 3MH 0.9169
320 8CL 0.9167
321 HBS 0.9167
322 QDK 0.9164
323 278 0.9163
324 3BB 0.9163
325 TH7 0.9160
326 HSM 0.9160
327 GAG 0.9159
328 Y8I 0.9158
329 BVG 0.9158
330 IXW 0.9156
331 NMG 0.9153
332 MBN 0.9152
333 4XX 0.9151
334 98J 0.9151
335 ASN 0.9149
336 VAH 0.9149
337 MLT 0.9149
338 OAA 0.9149
339 BZI 0.9149
340 5AC 0.9149
341 NIS 0.9148
342 HBR 0.9147
343 BZF 0.9147
344 BZX 0.9145
345 69O 0.9143
346 6M9 0.9143
347 6UA 0.9143
348 SVN 0.9142
349 FBJ 0.9142
350 CP 0.9141
351 GXV 0.9141
352 GOL 0.9141
353 LEA 0.9140
354 FLM 0.9140
355 IUR 0.9138
356 4JP 0.9138
357 2A7 0.9137
358 YCP 0.9137
359 KOJ 0.9136
360 IVA 0.9136
361 261 0.9133
362 3CE 0.9133
363 NAK 0.9133
364 192 0.9133
365 FFP 0.9131
366 HPA 0.9131
367 3FA 0.9130
368 ICC 0.9129
369 10L 0.9128
370 BEN 0.9128
371 F05 0.9127
372 14J 0.9126
373 ASO 0.9126
374 4CS 0.9125
375 7EX 0.9125
376 DPR 0.9124
377 BEZ 0.9124
378 L3Q 0.9123
379 MZ0 0.9122
380 NSP 0.9121
381 ECE 0.9120
382 OXE 0.9119
383 9TY 0.9118
384 ARB 0.9117
385 M6W 0.9117
386 HSL 0.9117
387 9EW 0.9116
388 ADE 0.9114
389 2K4 0.9112
390 0RW 0.9112
391 DYA 0.9111
392 I2M 0.9111
393 JAB 0.9110
394 3U4 0.9109
395 8H8 0.9108
396 BAM 0.9108
397 JKE 0.9107
398 WOT 0.9106
399 CHT 0.9106
400 S76 0.9104
401 2MI 0.9103
402 CAQ 0.9103
403 HV2 0.9102
404 4JM 0.9102
405 NTN 0.9102
406 IOM 0.9101
407 FP1 0.9100
408 14O 0.9099
409 R8A 0.9099
410 NBZ 0.9098
411 0CT 0.9098
412 F60 0.9098
413 6AI 0.9098
414 AX7 0.9096
415 270 0.9096
416 5H1 0.9096
417 HLR 0.9095
418 94N 0.9094
419 3OH 0.9093
420 BXO 0.9092
421 4AP 0.9091
422 3OC 0.9091
423 51F 0.9090
424 ABU 0.9088
425 H76 0.9087
426 XRG 0.9087
427 TEO 0.9087
428 IOL 0.9087
429 PAE 0.9086
430 ES6 0.9084
431 HRZ 0.9081
432 URQ 0.9081
433 GLC 0.9080
434 8GC 0.9080
435 2LP 0.9079
436 5MI 0.9078
437 VNJ 0.9078
438 5ZE 0.9078
439 RIB 0.9077
440 3AP 0.9077
441 TTO 0.9077
442 7N0 0.9077
443 TB6 0.9076
444 ARA 0.9075
445 SWD 0.9074
446 2CH 0.9072
447 BP1 0.9072
448 XLS 0.9071
449 4SV 0.9071
450 4XR 0.9071
451 PBC 0.9070
452 SAL 0.9070
453 BE2 0.9070
454 9PO 0.9069
455 F81 0.9069
456 FBA 0.9069
457 TF4 0.9069
458 KPL 0.9068
459 HYP 0.9068
460 QSC 0.9067
461 HVK 0.9067
462 2AP 0.9067
463 938 0.9066
464 IT2 0.9066
465 O7U 0.9066
466 BUO 0.9064
467 5MB 0.9064
468 7WA 0.9063
469 1AN 0.9062
470 ITN 0.9061
471 2RH 0.9061
472 JAE 0.9061
473 PKU 0.9060
474 FUM 0.9059
475 AC0 0.9059
476 Z6J 0.9059
477 PZA 0.9059
478 LCN 0.9058
479 GIF 0.9058
480 CMS 0.9057
481 3DO 0.9057
482 3GR 0.9056
483 NIO 0.9054
484 7HP 0.9053
485 3HB 0.9052
486 HY1 0.9051
487 GAB 0.9051
488 2EZ 0.9050
489 HTS 0.9050
490 3NT 0.9049
491 9DA 0.9048
492 HX2 0.9047
493 CRN 0.9047
494 EGD 0.9046
495 BMD 0.9046
496 5HN 0.9044
497 6MP 0.9044
498 92Z 0.9044
499 ABV 0.9039
500 L89 0.9038
501 HHN 0.9038
502 8LG 0.9038
503 13X 0.9037
504 FP2 0.9035
505 NIZ 0.9034
506 2ZX 0.9033
507 G2F 0.9033
508 3AB 0.9031
509 76X 0.9029
510 UNU 0.9028
511 VGL 0.9028
512 IPU 0.9028
513 1DJ 0.9027
514 BTE 0.9027
515 LLQ 0.9027
516 FQI 0.9026
517 SJ5 0.9026
518 LGA 0.9025
519 11S 0.9025
520 GLU 0.9025
521 AC5 0.9025
522 7CZ 0.9022
523 93Q 0.9022
524 1P3 0.9022
525 COI 0.9022
526 4DX 0.9022
527 ES9 0.9021
528 1WD 0.9020
529 OVV 0.9019
530 MRZ 0.9017
531 6X8 0.9017
532 NXA 0.9017
533 NMJ 0.9017
534 40E 0.9016
535 SS1 0.9016
536 PIH 0.9016
537 FOC 0.9016
538 2AF 0.9015
539 9HX 0.9014
540 CXF 0.9013
541 53C 0.9012
542 3HR 0.9010
543 PM6 0.9009
544 BUB 0.9009
545 BR8 0.9008
546 BNS 0.9006
547 6NA 0.9006
548 BHO 0.9006
549 XAP 0.9004
550 FUB 0.9002
551 ABE 0.9000
552 DFB 0.8999
553 NOJ 0.8999
554 ES0 0.8998
555 WCE 0.8998
556 4HA 0.8997
557 FEH 0.8997
558 4AX 0.8997
559 XAN 0.8996
560 AX2 0.8996
561 141 0.8996
562 FK1 0.8995
563 6HQ 0.8995
564 CWM 0.8994
565 H4N 0.8994
566 PGA 0.8993
567 3BZ 0.8992
568 H8N 0.8992
569 FAN 0.8992
570 WDL 0.8991
571 NOY 0.8990
572 GUN 0.8987
573 UY7 0.8987
574 DFU 0.8985
575 ES4 0.8984
576 4HM 0.8984
577 5RG 0.8983
578 6AP 0.8983
579 7WV 0.8983
580 ISU 0.8982
581 LEU 0.8981
582 DGL 0.8981
583 SPA 0.8979
584 MUC 0.8978
585 PEL 0.8978
586 3AY 0.8978
587 HTX 0.8976
588 BSX 0.8976
589 ZZ3 0.8975
590 FSG 0.8973
591 V1L 0.8972
592 I1E 0.8971
593 9DG 0.8971
594 ETX 0.8967
595 YAN 0.8965
596 FLA 0.8965
597 QUZ 0.8965
598 150 0.8964
599 BAQ 0.8964
600 717 0.8964
601 RIP 0.8963
602 AZA 0.8963
603 GLY GLY 0.8963
604 F4Z 0.8963
605 SNE 0.8963
606 64K 0.8962
607 AOA 0.8962
608 DOB 0.8960
609 3SK 0.8959
610 AL0 0.8958
611 HGW 0.8958
612 3DM 0.8955
613 ERH 0.8955
614 ISZ 0.8954
615 2D0 0.8953
616 TCZ 0.8953
617 FA0 0.8951
618 7MH 0.8951
619 ATQ 0.8950
620 AKG 0.8950
621 6CS 0.8949
622 D2P 0.8949
623 5AN 0.8949
624 PRY 0.8949
625 BRT 0.8948
626 HX3 0.8947
627 MEV 0.8947
628 0MK 0.8947
629 DX4 0.8947
630 PZI 0.8946
631 IFL 0.8946
632 JZ0 0.8945
633 8NY 0.8945
634 AZG 0.8944
635 6LW 0.8944
636 0TR 0.8943
637 FBM 0.8942
638 6GU 0.8942
639 A2F 0.8941
640 JZ4 0.8941
641 1XM 0.8940
642 ICN 0.8940
643 JYD 0.8940
644 3V4 0.8939
645 2CK 0.8938
646 MXN 0.8937
647 IGA 0.8937
648 YH7 0.8936
649 HHA 0.8936
650 2CQ 0.8936
651 MEU 0.8935
652 URP 0.8935
653 5CU 0.8933
654 DTI 0.8933
655 290 0.8933
656 BHA 0.8932
657 12M 0.8930
658 MNN 0.8930
659 5NU 0.8928
660 PEA 0.8927
661 PAB 0.8926
662 2XX 0.8925
663 4MV 0.8925
664 4M0 0.8924
665 SS2 0.8923
666 7A8 0.8923
667 Q88 0.8923
668 RUU 0.8920
669 CFP 0.8919
670 H95 0.8918
671 9TZ 0.8918
672 MTG 0.8917
673 M58 0.8915
674 TC7 0.8915
675 I3A 0.8911
676 FCA 0.8910
677 T6C 0.8910
678 SLP 0.8909
679 MET 0.8908
680 CFI 0.8907
681 NPY 0.8904
682 GGL 0.8903
683 F9P 0.8902
684 2A9 0.8901
685 GTQ 0.8901
686 JBE 0.8900
687 2HE 0.8897
688 PYM 0.8895
689 2EH 0.8894
690 5Y9 0.8894
691 OK7 0.8893
692 TIU 0.8893
693 NPO 0.8893
694 AHB 0.8891
695 1DQ 0.8888
696 8EZ 0.8884
697 XM0 0.8884
698 9X6 0.8884
699 54G 0.8883
700 HH5 0.8883
701 7HQ 0.8881
702 2HA 0.8881
703 RM1 0.8879
704 YTB 0.8878
705 BTL 0.8876
706 EUG 0.8876
707 DBH 0.8876
708 DIE 0.8874
709 32O 0.8874
710 MSF 0.8874
711 AC6 0.8873
712 3MT 0.8873
713 KYD 0.8873
714 2CO 0.8872
715 IP0 0.8869
716 PEP 0.8868
717 FPK 0.8866
718 KMT 0.8866
719 5M0 0.8862
720 FCN 0.8861
721 S0H 0.8856
722 PZM 0.8856
723 SAT 0.8856
724 FUL 0.8856
725 JBK 0.8854
726 1P7 0.8854
727 CEE 0.8852
728 3HA 0.8851
729 3F0 0.8851
730 SHA 0.8851
731 1WG 0.8850
732 XQ0 0.8849
733 FUC 0.8849
734 Z82 0.8849
735 MMU 0.8848
736 PE9 0.8846
737 45C 0.8845
738 271 0.8845
739 QFH 0.8844
740 1CB 0.8842
741 34V 0.8841
742 O8Y 0.8840
743 GBL 0.8838
744 TBP 0.8838
745 DMJ 0.8837
746 HL5 0.8837
747 173 0.8837
748 FJO 0.8835
749 P92 0.8835
750 BOA 0.8833
751 8EW 0.8833
752 6JN 0.8832
753 3M0 0.8832
754 24W 0.8829
755 PG3 0.8829
756 ORO 0.8826
757 PAH 0.8826
758 ISN 0.8824
759 PBE 0.8824
760 7B4 0.8824
761 ICF 0.8823
762 7VD 0.8823
763 RNT 0.8821
764 2TQ 0.8821
765 6SP 0.8818
766 ORN 0.8817
767 35C 0.8816
768 UYA 0.8813
769 23B 0.8813
770 MAN 0.8813
771 COU 0.8812
772 5WV 0.8810
773 H42 0.8807
774 XPO 0.8805
775 1DV 0.8804
776 0CU 0.8804
777 B53 0.8804
778 GG6 0.8804
779 NLE 0.8801
780 MED 0.8800
781 ADZ 0.8799
782 826 0.8798
783 HBD 0.8798
784 5IQ 0.8797
785 NBE 0.8797
786 BUQ 0.8796
787 YRL 0.8796
788 5SG 0.8795
789 1XN 0.8795
790 GYE 0.8795
791 F0J 0.8793
792 MNM 0.8793
793 SPV 0.8793
794 2AQ 0.8792
795 HQY 0.8791
796 OEM 0.8789
797 LNO 0.8789
798 DMI 0.8788
799 7W4 0.8787
800 4MA 0.8784
801 V55 0.8784
802 5OB 0.8784
803 JBH 0.8782
804 DPF 0.8782
805 4FS 0.8781
806 3SL 0.8781
807 ES1 0.8779
808 5B1 0.8778
809 2AL 0.8777
810 4FA 0.8777
811 NBN 0.8773
812 4M4 0.8772
813 DOR 0.8772
814 1LQ 0.8772
815 5Q0 0.8771
816 1Y6 0.8770
817 MLE 0.8770
818 KKN 0.8769
819 GLN 0.8769
820 AML 0.8769
821 1SQ 0.8769
822 PBZ 0.8767
823 TAU 0.8767
824 N5J 0.8766
825 IPZ 0.8766
826 OXC 0.8764
827 MPD 0.8763
828 JPZ 0.8763
829 4YS 0.8763
830 MSN 0.8762
831 SMN 0.8762
832 DGJ 0.8761
833 G3H 0.8760
834 G3P 0.8760
835 9RW 0.8760
836 TMH 0.8760
837 M1A 0.8759
838 COM 0.8757
839 0V5 0.8757
840 SEJ 0.8753
841 POA 0.8752
842 AMT 0.8751
843 JIF 0.8750
844 G6D 0.8750
845 5MK 0.8749
846 03V 0.8749
847 LRH 0.8747
848 260 0.8745
849 67N 0.8745
850 GAL 0.8743
851 G4D 0.8742
852 HLT 0.8742
853 42A 0.8741
854 IPB 0.8739
855 LZM 0.8736
856 CLW 0.8735
857 82I 0.8735
858 ET2 0.8735
859 36R 0.8734
860 JB5 0.8734
861 PAC 0.8733
862 ES2 0.8732
863 RNS 0.8731
864 174 0.8731
865 AEF 0.8731
866 SX1 0.8731
867 BCP 0.8730
868 HH8 0.8730
869 MD0 0.8729
870 BGC 0.8729
871 4XH 0.8728
872 1LM 0.8727
873 QY9 0.8727
874 OCH 0.8726
875 MTD 0.8724
876 8X3 0.8723
877 O72 0.8723
878 ES5 0.8723
879 PG0 0.8720
880 25W 0.8720
881 URC 0.8719
882 FUF 0.8718
883 GLY CYS 0.8718
884 LYL 0.8717
885 RM4 0.8715
886 1P8 0.8714
887 ES7 0.8711
888 SC2 0.8711
889 1NP 0.8710
890 5VM 0.8708
891 P72 0.8705
892 34D 0.8701
893 AW5 0.8701
894 XXR 0.8700
895 BZ3 0.8698
896 VGD 0.8697
897 BTY 0.8696
898 MR1 0.8696
899 B55 0.8695
900 SW7 0.8695
901 PCT 0.8694
902 GUA 0.8694
903 IF7 0.8693
904 PHU 0.8693
905 8OZ 0.8692
906 75K 0.8692
907 8TX 0.8692
908 GOO 0.8692
909 6F0 0.8690
910 GRE 0.8687
911 XQG 0.8686
912 5JQ 0.8686
913 4NC 0.8684
914 D1X 0.8682
915 9J3 0.8681
916 EFS 0.8680
917 5JL 0.8680
918 3ID 0.8680
919 2ZV 0.8676
920 MSE 0.8675
921 ARW 0.8675
922 ETM 0.8674
923 DHR 0.8673
924 9SB 0.8672
925 P7I 0.8670
926 BDR 0.8669
927 N8P 0.8666
928 XX2 0.8664
929 SD4 0.8662
930 OPE 0.8661
931 TPA 0.8657
932 K6H 0.8654
933 FBB 0.8654
934 VX 0.8653
935 5MP 0.8653
936 XAZ 0.8653
937 MFB 0.8650
938 8S0 0.8649
939 DMD 0.8649
940 4MZ 0.8647
941 AUD 0.8645
942 13P 0.8644
943 GIO 0.8642
944 RMN 0.8639
945 K2T 0.8639
946 IT9 0.8638
947 GCS 0.8638
948 4JT 0.8633
949 P9P 0.8632
950 PEQ 0.8631
951 2MZ 0.8628
952 DHB 0.8623
953 6M1 0.8620
954 3MB 0.8620
955 8IG 0.8618
956 OVM 0.8614
957 FB1 0.8613
958 51R 0.8609
959 5KX 0.8608
960 DSS 0.8607
961 FCB 0.8607
962 GRO 0.8606
963 PMB 0.8603
964 1MZ 0.8602
965 BMA 0.8601
966 QBK 0.8600
967 BYZ 0.8598
968 ES3 0.8594
969 INO 0.8591
970 F9Y 0.8589
971 G3F 0.8587
972 MYJ 0.8586
973 M1Q 0.8584
974 J9W 0.8581
975 93K 0.8580
976 3TR 0.8580
977 HOW 0.8579
978 FBV 0.8573
979 XIY 0.8569
980 OW4 0.8566
981 9TW 0.8564
982 NNO 0.8564
983 PYZ 0.8563
984 4A3 0.8561
985 CHB 0.8558
986 J9T 0.8551
987 GJZ 0.8547
988 RHU 0.8547
989 DZZ 0.8538
990 QSB 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4M5P; Ligand: MLA; 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: 4m5p.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4M5P; Ligand: MLA; 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: 4m5p.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4M5P; Ligand: MLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4m5p.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4M5P; Ligand: MLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4m5p.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4M5P; Ligand: 23W; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4m5p.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4M5P; Ligand: 23W; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4m5p.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4M5P; Ligand: FMN; Similar sites found with APoc: 2
This union binding pocket(no: 7) in the query (biounit: 4m5p.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 5OCS FMN 30.1887
2 5OCS FMN 30.1887
Pocket No.: 8; Query (leader) PDB : 4M5P; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4m5p.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4M5P; Ligand: MLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4m5p.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4M5P; Ligand: MLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4m5p.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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