Receptor
PDB id Resolution Class Description Source Keywords
5afl 2.39 Å NON-ENZYME: SIGNAL_HORMONE ALPHA7-ACHBP IN COMPLEX WITH LOBELINE AND FRAGMENT 3 HOMO SAPIENS, LYMNAEA STAGNALIS TRANSPORT PROTEIN PENTAMERIC LIGAND-GATED ION CHANNELS CYSRECEPTOR NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODUDRUG DISCOVERY
Ref.: MOLECULAR BLUEPRINT OF ALLOSTERIC BINDING SITES IN HOMOLOGUE OF THE AGONIST-BINDING DOMAIN OF THE ALPH NICOTINIC ACETYLCHOLINE RECEPTOR. PROC.NATL.ACAD.SCI.USA V. 112 E2543 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL D:1206;
E:1206;
A:1207;
A:1206;
B:1206;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
TLA B:1205;
Valid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
NAG NAG G:1;
J:1;
H:1;
I:1;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
408.404 n/a O=C(N...
L0B C:1206;
D:1205;
E:1205;
A:1205;
C:1205;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
337.455 C22 H27 N O2 CN1[C...
FHV E:1207;
Valid;
none;
ic50 = 398 uM
204.268 C12 H16 N2 O Cc1cc...
NAG NAG BMA BMA F:1;
Invalid;
none;
submit data
584.572 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5OUH 2.5 Å NON-ENZYME: SIGNAL_HORMONE HUMANIZED ALPHA-ACHBP (ACETYLCHOLINE BINDING PROTEIN) IN COM LOBELINE. HOMO SAPIENS ACETYLCHOLINE BINDING PROTEIN NICOTINIC ACETYLCHOLINE RECEPCHOLINE-BINDING PROTEIN
Ref.: AN ALLOSTERIC BINDING SITE OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR REVEALED IN A HUMANIZED ACETYLCHOLINE-BINDING PROTEIN. J. BIOL. CHEM. V. 293 2534 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 5AFH - L0B C22 H27 N O2 CN1[C@@H](....
2 5OUH - L0B C22 H27 N O2 CN1[C@@H](....
3 5AFK ic50 = 132 uM 5VU C11 H12 F2 N2 O c1cc(c(cc1....
4 5AFN ic50 = 34 uM OJD C12 H15 N O c1ccc(cc1)....
5 5AFJ ic50 = 42 uM 42R C13 H14 Br N O2 C[C@@]1(CN....
6 5AFL ic50 = 398 uM FHV C12 H16 N2 O Cc1cccc(c1....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 4QAC Kd = 0.0004 uM KK3 C17 H19 F3 N4 CC1CCN(CC1....
2 1UW6 Kd = 45.2 nM NCT C10 H14 N2 C[N@@]1CCC....
3 3WTM Kd = 0.1 uM N1Y C10 H11 Cl N4 O2 c1cc(ncc1C....
4 5J5G Kd = 0.03 uM 6GF C23 H22 N6 O COc1ccc(cc....
5 3WTN Kd = 0.091 uM N2Y C9 H11 Cl N4 [H]/N=C1/N....
6 4ALX Ki = 52 nM IZN C16 H21 N O3 CO[C@H]1CC....
7 1UV6 Kd = 7575 nM CCE C6 H15 N2 O2 C[N+](C)(C....
8 3ZDG Ki = 0.079 uM XRX C9 H20 N2 O2 C[C@H](CCO....
9 5J5I Kd = 0.13 uM 6GM C22 H20 N6 O c1ccnc(c1)....
10 5J5F Kd = 0.33 uM 6GH C20 H18 N6 S c1ccnc(c1)....
11 3ZDH Ki = 0.045 uM XRS C10 H19 N3 O C[C@H](CCO....
12 3WTL Kd = 0.092 uM N1Y C10 H11 Cl N4 O2 c1cc(ncc1C....
13 3WTO Kd = 0.119 uM N2Y C9 H11 Cl N4 [H]/N=C1/N....
14 3WTJ Kd = 0.297 uM TH4 C10 H9 Cl N4 S c1cc(ncc1C....
15 5AFK ic50 = 132 uM 5VU C11 H12 F2 N2 O c1cc(c(cc1....
16 5AFN ic50 = 34 uM OJD C12 H15 N O c1ccc(cc1)....
17 5AFJ ic50 = 42 uM 42R C13 H14 Br N O2 C[C@@]1(CN....
18 5AFL ic50 = 398 uM FHV C12 H16 N2 O Cc1cccc(c1....
50% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 2WNC Kd = 479 nM TKT C17 H20 N2 O2 CN1[C@H]2C....
2 4DBM Kd = 24 nM 0J0 C22 H28 N5 O2 CN1c2ccccc....
3 3C79 Kd = 63 nM IM4 C9 H10 Cl N5 O2 c1cc(ncc1C....
4 2BYR Kd = 2.8 nM MLK C37 H50 N2 O10 CC[N@]1C[C....
5 4XHE - 40P C41 H61 N O9 C[C@H]1C[C....
6 2WNJ Kd = 330 nM ZY7 C19 H20 N2 O2 COc1ccc(c(....
7 2BYS Kd = 0.3 nM LOB C22 H27 N O2 C[N@@]1[C@....
8 2PGZ Kd = 1.8 uM COC C17 H21 N O4 C[N@]1[C@H....
9 2XNV Ki = 5 uM VU3 C21 H24 N2 c1ccc(cc1)....
10 5AIN - QMR C13 H13 N3 c1cnc2cc3c....
11 2WN9 Kd = 3 nM ZY5 C18 H18 N2 O2 COc1cc(ccc....
12 3C84 Kd = 14 nM TH4 C10 H9 Cl N4 S c1cc(ncc1C....
13 2XYS Ki = 38 nM SY9 C21 H22 N2 O2 c1ccc2c(c1....
14 4BFQ - 083 C21 H18 N6 Cc1cc(nc(n....
15 4XK9 - 41J C42 H63 N O7 C[C@H]1C[C....
16 2YME Kd = 343 uM CWB C18 H24 N4 O Cn1c2ccccc....
17 3ZDG Ki = 0.079 uM XRX C9 H20 N2 O2 C[C@H](CCO....
18 5J5I Kd = 0.13 uM 6GM C22 H20 N6 O c1ccnc(c1)....
19 5J5F Kd = 0.33 uM 6GH C20 H18 N6 S c1ccnc(c1)....
20 3ZDH Ki = 0.045 uM XRS C10 H19 N3 O C[C@H](CCO....
21 3WTL Kd = 0.092 uM N1Y C10 H11 Cl N4 O2 c1cc(ncc1C....
22 3WTO Kd = 0.119 uM N2Y C9 H11 Cl N4 [H]/N=C1/N....
23 3WTJ Kd = 0.297 uM TH4 C10 H9 Cl N4 S c1cc(ncc1C....
24 5AFJ ic50 = 42 uM 42R C13 H14 Br N O2 C[C@@]1(CN....
25 5AFL ic50 = 398 uM FHV C12 H16 N2 O Cc1cccc(c1....
26 5LXB - 7A9 C19 H24 N2 O c1cc2c3c(c....
27 4ZJS - 4P0 C10 H15 N O CC(=O)C1=C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TLA; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 TAR 1 1
2 TLA 1 1
3 SRT 1 1
4 GAE 0.588235 1
5 LGT 0.588235 1
6 RAT 0.588235 1
7 2OP 0.5 0.611111
8 LAC 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Ligand no: 2; Ligand: L0B; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 L0B 1 1
2 LOB 1 1
Ligand no: 3; Ligand: FHV; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FHV 1 1
2 NZ4 0.42623 0.716981
Similar Ligands (3D)
Ligand no: 1; Ligand: TLA; Similar ligands found: 1296
No: Ligand Similarity coefficient
1 SOE 1.0000
2 PGA 1.0000
3 MLT 0.9724
4 SKG 0.9711
5 HIO 0.9674
6 ITN 0.9672
7 RNT 0.9635
8 OAA 0.9632
9 TEO 0.9627
10 IOM 0.9612
11 7N0 0.9599
12 DGN 0.9581
13 CIZ 0.9581
14 GLU 0.9580
15 COI 0.9574
16 URQ 0.9572
17 CRN 0.9566
18 RNS 0.9557
19 DAS 0.9547
20 ZGL 0.9547
21 3LR 0.9545
22 CMS 0.9541
23 OEG 0.9536
24 AC0 0.9533
25 OAF 0.9531
26 ASN 0.9524
27 GLN 0.9523
28 LMR 0.9518
29 2HG 0.9518
30 6PC 0.9516
31 40E 0.9509
32 LXC 0.9504
33 2RH 0.9503
34 DGL 0.9503
35 2FT 0.9502
36 YCP 0.9492
37 DYA 0.9484
38 5FX 0.9482
39 ASP 0.9482
40 ARB 0.9482
41 BEN 0.9481
42 PAF 0.9477
43 SS2 0.9471
44 S2G 0.9464
45 3OC 0.9456
46 6M4 0.9456
47 VAH 0.9453
48 SAL 0.9451
49 AHB 0.9447
50 ILE 0.9439
51 URP 0.9439
52 XYS 0.9435
53 PZA 0.9434
54 AKG 0.9433
55 8EZ 0.9431
56 PBC 0.9428
57 XYP 0.9427
58 ALA ALA 0.9425
59 173 0.9423
60 DMV 0.9420
61 PPR 0.9416
62 NCA 0.9416
63 AC6 0.9415
64 AHR 0.9411
65 HYP 0.9409
66 QSC 0.9407
67 BNS 0.9405
68 FQI 0.9404
69 MAE 0.9402
70 NXA 0.9394
71 BAM 0.9393
72 NIO 0.9392
73 WTZ 0.9392
74 XUL 0.9389
75 M58 0.9389
76 THE 0.9388
77 FA1 0.9388
78 TMH 0.9387
79 2AS 0.9385
80 3SK 0.9379
81 3U4 0.9377
82 QY9 0.9375
83 9X6 0.9374
84 XYL 0.9373
85 PAC 0.9372
86 UY7 0.9370
87 98J 0.9368
88 BEZ 0.9368
89 XLS 0.9367
90 PEP 0.9365
91 DBH 0.9364
92 VNJ 0.9363
93 PEQ 0.9362
94 KPL 0.9361
95 3HA 0.9361
96 NTN 0.9361
97 QFH 0.9360
98 OEM 0.9359
99 3F0 0.9359
100 34V 0.9358
101 7A8 0.9356
102 RUU 0.9356
103 2IT 0.9350
104 PZI 0.9349
105 FOC 0.9346
106 SDD 0.9346
107 SIN 0.9344
108 BZX 0.9344
109 GLC 0.9341
110 FE DB1 0.9340
111 3M0 0.9340
112 LEU 0.9338
113 VGL 0.9336
114 53C 0.9334
115 HBA 0.9334
116 23B 0.9332
117 HZP 0.9331
118 ES6 0.9330
119 AC5 0.9324
120 QDK 0.9319
121 RMN 0.9319
122 ACH 0.9316
123 CAM 0.9315
124 BE2 0.9315
125 RIP 0.9315
126 RBL 0.9314
127 PCA 0.9313
128 1DV 0.9311
129 JZ7 0.9310
130 I2M 0.9305
131 4SV 0.9303
132 MET 0.9303
133 GLL 0.9302
134 FBM 0.9300
135 RSO 0.9299
136 UYA 0.9298
137 AL0 0.9297
138 PHB 0.9294
139 FUM 0.9291
140 1PT 0.9289
141 IXW 0.9288
142 7WG 0.9286
143 RHU 0.9286
144 MUC 0.9285
145 5RG 0.9285
146 NPO 0.9283
147 JYD 0.9282
148 NOJ 0.9282
149 GGL 0.9281
150 TAG 0.9280
151 SD4 0.9279
152 M6W 0.9279
153 SKJ 0.9278
154 SNE 0.9277
155 F05 0.9276
156 SPA 0.9275
157 F9P 0.9275
158 6JN 0.9274
159 IZC 0.9274
160 DTL 0.9273
161 IF7 0.9272
162 O7U 0.9272
163 LRH 0.9271
164 IDM 0.9266
165 4CS 0.9264
166 R9S 0.9261
167 DHS 0.9260
168 HXX 0.9258
169 449 0.9257
170 HDA 0.9256
171 DOB 0.9255
172 OKG 0.9254
173 5AC 0.9253
174 3RK 0.9253
175 MD0 0.9252
176 PTO 0.9252
177 5NU 0.9252
178 UGC 0.9251
179 PRS 0.9250
180 GTQ 0.9250
181 FA0 0.9249
182 BHA 0.9249
183 PRO 0.9244
184 JKE 0.9243
185 N7P 0.9243
186 ROR 0.9241
187 5CU 0.9241
188 DFU 0.9240
189 DGJ 0.9239
190 IT9 0.9238
191 SOL 0.9237
192 CFI 0.9236
193 SYM 0.9236
194 9J3 0.9236
195 GUA 0.9234
196 IP0 0.9233
197 CNL 0.9233
198 5QX 0.9233
199 Z6J 0.9232
200 54G 0.9231
201 OXZ 0.9229
202 SVJ 0.9229
203 LER 0.9228
204 IPB 0.9227
205 X1S 0.9225
206 R67 0.9225
207 FYU 0.9224
208 SJ5 0.9223
209 6LW 0.9223
210 MRZ 0.9221
211 4M0 0.9221
212 FCR 0.9219
213 BGC 0.9218
214 9X7 0.9217
215 1WD 0.9215
216 SS1 0.9214
217 4NC 0.9214
218 2TQ 0.9214
219 NYL 0.9213
220 23W 0.9212
221 SHF 0.9212
222 MEV 0.9212
223 SPV 0.9212
224 8EW 0.9211
225 DYT 0.9210
226 GBD 0.9209
227 3AB 0.9209
228 AOS 0.9208
229 XM0 0.9207
230 RB5 0.9205
231 RB0 0.9205
232 5RN 0.9203
233 HBD 0.9202
234 RSF 0.9202
235 ICF 0.9200
236 2CO 0.9200
237 GZ3 0.9198
238 URF 0.9197
239 OSE 0.9196
240 Q6T 0.9195
241 9YL 0.9194
242 PBE 0.9194
243 OGA 0.9194
244 TFB 0.9191
245 ARA 0.9191
246 BP9 0.9191
247 ISZ 0.9190
248 KMH 0.9190
249 1LQ 0.9190
250 K7M 0.9189
251 DAL DAL 0.9187
252 G3H 0.9187
253 G3P 0.9187
254 FUC 0.9187
255 DPF 0.9186
256 NBZ 0.9186
257 MRY 0.9185
258 3HB 0.9185
259 MXN 0.9184
260 IFM 0.9184
261 5M0 0.9183
262 DFB 0.9182
263 TTL 0.9181
264 PMB 0.9178
265 HMH 0.9177
266 ASO 0.9176
267 0V5 0.9175
268 I1E 0.9175
269 FSG 0.9175
270 BHO 0.9174
271 BDP 0.9174
272 HYA 0.9173
273 3HG 0.9172
274 FUB 0.9172
275 LFR 0.9172
276 G2F 0.9172
277 FUL 0.9172
278 271 0.9171
279 6CS 0.9171
280 HPA 0.9171
281 IFL 0.9170
282 FOA 0.9170
283 PHU 0.9170
284 60P 0.9169
285 HY1 0.9169
286 2CK 0.9169
287 PGH 0.9168
288 AG2 0.9168
289 3SL 0.9168
290 LSA 0.9168
291 K6H 0.9167
292 AX7 0.9166
293 270 0.9166
294 GLY ALA 0.9165
295 69O 0.9164
296 BSX 0.9164
297 8OZ 0.9164
298 2K4 0.9163
299 EHM 0.9162
300 HL5 0.9162
301 4VP 0.9162
302 3NT 0.9162
303 TSU 0.9161
304 FB1 0.9161
305 9DG 0.9161
306 IHG 0.9160
307 NIZ 0.9160
308 IQ0 0.9160
309 FEH 0.9158
310 EKZ 0.9158
311 ZXD 0.9158
312 6AI 0.9158
313 7WV 0.9157
314 4MV 0.9157
315 ZBT 0.9157
316 I3A 0.9157
317 PG3 0.9156
318 CXF 0.9155
319 32O 0.9155
320 GAG 0.9155
321 SWA 0.9154
322 RIB 0.9153
323 8H8 0.9153
324 SF9 0.9152
325 1DJ 0.9150
326 TP5 0.9149
327 OXQ 0.9148
328 SMV 0.9146
329 XBT 0.9146
330 ONL 0.9145
331 1Y6 0.9145
332 7HP 0.9145
333 GG6 0.9145
334 NMJ 0.9144
335 54D 0.9143
336 HIS 0.9143
337 WBU 0.9143
338 F60 0.9142
339 BTE 0.9142
340 1CO 0.9139
341 14O 0.9139
342 FBV 0.9138
343 XAN 0.9138
344 GAB 0.9137
345 4FA 0.9136
346 1P3 0.9136
347 ORN 0.9135
348 ADE 0.9135
349 AEF 0.9134
350 DPR 0.9134
351 MAH 0.9133
352 HX2 0.9133
353 HMU 0.9133
354 2PC 0.9132
355 PBZ 0.9132
356 HSM 0.9131
357 LDU 0.9130
358 5H1 0.9130
359 GUN 0.9129
360 3PG 0.9128
361 YRL 0.9128
362 192 0.9128
363 4PW 0.9128
364 JZ3 0.9128
365 0MK 0.9127
366 LCN 0.9127
367 51R 0.9126
368 URS 0.9126
369 NOY 0.9126
370 6F0 0.9124
371 SEJ 0.9124
372 1AB 0.9124
373 Q88 0.9124
374 FPK 0.9121
375 GJZ 0.9120
376 HBX 0.9120
377 FLA 0.9119
378 GRO 0.9119
379 GRE 0.9119
380 URA 0.9119
381 9YT 0.9118
382 FB2 0.9118
383 GIF 0.9117
384 PSJ 0.9117
385 6M1 0.9117
386 J9T 0.9117
387 HHA 0.9116
388 SEP 0.9116
389 NMG 0.9115
390 FBJ 0.9114
391 IFP 0.9114
392 3FH 0.9114
393 AKB 0.9113
394 FBA 0.9112
395 282 0.9112
396 UNU 0.9111
397 5MI 0.9111
398 R8A 0.9110
399 1DQ 0.9110
400 GP9 0.9108
401 MNN 0.9107
402 5MB 0.9105
403 2MI 0.9105
404 FAC 0.9105
405 9ON 0.9104
406 DHI 0.9104
407 HHI 0.9104
408 280 0.9104
409 TH7 0.9104
410 HDH 0.9103
411 0TR 0.9103
412 PAB 0.9103
413 H95 0.9102
414 PEL 0.9101
415 5DI 0.9101
416 3PP 0.9099
417 LZ1 0.9099
418 KYD 0.9099
419 AGK 0.9097
420 CAH 0.9097
421 PYJ 0.9097
422 273 0.9096
423 SMN 0.9096
424 BE7 0.9095
425 AZF 0.9095
426 SYG 0.9095
427 IT2 0.9094
428 MNM 0.9094
429 JZ5 0.9093
430 MWP 0.9093
431 SAN 0.9092
432 PAE 0.9092
433 4XR 0.9091
434 MZW 0.9091
435 3BU 0.9090
436 51F 0.9090
437 FAN 0.9090
438 64K 0.9090
439 HH5 0.9090
440 1DU 0.9089
441 KIV 0.9088
442 2XX 0.9088
443 ZZT 0.9088
444 TNE 0.9087
445 1XX 0.9087
446 JBN 0.9086
447 13P 0.9086
448 BDR 0.9086
449 GLT 0.9086
450 FP1 0.9085
451 ICO 0.9085
452 P72 0.9084
453 G3F 0.9084
454 TIU 0.9083
455 TZL 0.9082
456 I38 0.9082
457 OK7 0.9082
458 3XX 0.9082
459 GBN 0.9081
460 FX1 0.9081
461 TCM 0.9081
462 9TZ 0.9081
463 PEA 0.9080
464 41K 0.9080
465 TPA 0.9080
466 RUJ 0.9079
467 HY3 0.9078
468 YHO 0.9077
469 2BN 0.9077
470 SC2 0.9077
471 7HQ 0.9077
472 L3Q 0.9076
473 RBJ 0.9074
474 DMJ 0.9074
475 3WA 0.9073
476 0R1 0.9072
477 2LP 0.9072
478 717 0.9072
479 K5W 0.9072
480 49F 0.9071
481 HSE 0.9070
482 EDG 0.9070
483 M1A 0.9070
484 M1E 0.9070
485 G2H 0.9069
486 C5A 0.9069
487 SHA 0.9068
488 AAS 0.9067
489 24B 0.9067
490 23J 0.9067
491 VAL 0.9067
492 IND 0.9066
493 1GP 0.9065
494 I4B 0.9065
495 OTR 0.9064
496 DS0 0.9063
497 PLQ 0.9063
498 DIG 0.9062
499 R8V 0.9062
500 KOJ 0.9060
501 R2B 0.9059
502 HTX 0.9059
503 FRU 0.9059
504 ABE 0.9055
505 T2C 0.9054
506 826 0.9054
507 GYE 0.9053
508 SF6 0.9053
509 ABV 0.9052
510 42C 0.9052
511 HSO 0.9051
512 DHB 0.9051
513 PYF 0.9051
514 DUC 0.9050
515 BZF 0.9047
516 P92 0.9047
517 ABN 0.9047
518 QUZ 0.9047
519 T9G 0.9047
520 2DR 0.9046
521 11S 0.9046
522 9HX 0.9046
523 6HQ 0.9045
524 SYN 0.9045
525 4JL 0.9044
526 NBE 0.9044
527 LNO 0.9044
528 JAE 0.9043
529 NPY 0.9043
530 DTT 0.9042
531 K34 0.9042
532 GVH 0.9042
533 DEN 0.9042
534 FUF 0.9042
535 1MR 0.9042
536 YTB 0.9040
537 R1X 0.9039
538 OHP 0.9039
539 R9M 0.9039
540 MPI 0.9038
541 ES9 0.9038
542 RM1 0.9038
543 X0V 0.9037
544 GAL 0.9036
545 9RW 0.9035
546 26D 0.9034
547 HQE 0.9033
548 AMC 0.9033
549 8K2 0.9032
550 PAH 0.9031
551 CP 0.9031
552 INO 0.9031
553 BZ3 0.9030
554 PSE 0.9029
555 FUD 0.9029
556 SOR 0.9029
557 286 0.9028
558 BZI 0.9028
559 FK8 0.9028
560 G5V 0.9027
561 PA1 0.9027
562 XCZ 0.9026
563 MED 0.9026
564 ASC 0.9026
565 FPN 0.9026
566 DA1 0.9026
567 3DM 0.9026
568 BCU 0.9025
569 ISD 0.9025
570 284 0.9025
571 ARW 0.9024
572 DBX 0.9024
573 FBS 0.9023
574 2PG 0.9023
575 4RW 0.9022
576 CAE 0.9021
577 NSP 0.9021
578 ISN 0.9021
579 TZE 0.9020
580 NLE 0.9020
581 5MK 0.9020
582 OVV 0.9020
583 WOT 0.9020
584 92K 0.9019
585 9TY 0.9019
586 1LN 0.9019
587 BDF 0.9018
588 JZ9 0.9018
589 40O 0.9018
590 PDC 0.9018
591 PY7 0.9017
592 H42 0.9017
593 3C7 0.9017
594 0R0 0.9016
595 KMT 0.9015
596 7WA 0.9015
597 NEQ 0.9015
598 H4N 0.9014
599 G4D 0.9013
600 GLF 0.9013
601 4P0 0.9012
602 J0Z 0.9012
603 NK 0.9012
604 SVD 0.9011
605 1SA 0.9011
606 MFB 0.9009
607 8GC 0.9008
608 SVN 0.9008
609 S0H 0.9007
610 129 0.9006
611 67N 0.9005
612 THR 0.9004
613 SW7 0.9004
614 9EW 0.9004
615 DOR 0.9004
616 TZZ 0.9004
617 4JP 0.9003
618 PYG 0.9003
619 3V4 0.9002
620 3YP 0.9002
621 4FH 0.9002
622 9DA 0.9002
623 1AC 0.9001
624 AMS 0.9000
625 QIC 0.9000
626 RAM 0.9000
627 IDH 0.8999
628 7B4 0.8999
629 JZ1 0.8997
630 MR1 0.8997
631 URC 0.8997
632 4MA 0.8996
633 PSV 0.8996
634 2MH 0.8996
635 IMR 0.8994
636 24W 0.8994
637 B24 0.8993
638 BNF 0.8993
639 308 0.8993
640 3SY 0.8992
641 FBW 0.8991
642 3QM 0.8991
643 PCR 0.8990
644 GCB 0.8990
645 5HY 0.8990
646 HCS 0.8989
647 DII 0.8988
648 JBE 0.8988
649 PBA 0.8988
650 PCT 0.8987
651 GLO 0.8986
652 FA3 0.8986
653 3DY 0.8986
654 HJP 0.8985
655 HPY 0.8985
656 FDK 0.8983
657 4J8 0.8982
658 PPV 0.8982
659 ET2 0.8982
660 7VD 0.8982
661 FCA 0.8981
662 H8N 0.8980
663 1P8 0.8979
664 BHU 0.8978
665 COU 0.8978
666 LLQ 0.8977
667 CSS 0.8977
668 GLY PRO 0.8976
669 SYV 0.8976
670 DAB 0.8975
671 82I 0.8975
672 C2B 0.8974
673 6M9 0.8974
674 8S0 0.8974
675 GCU 0.8974
676 LG4 0.8973
677 PAV 0.8973
678 14J 0.8973
679 261 0.8972
680 N4B 0.8972
681 MAN 0.8972
682 CEE 0.8972
683 FK1 0.8972
684 WCE 0.8971
685 XXR 0.8971
686 6MP 0.8969
687 ALO 0.8969
688 PXM 0.8969
689 KDF 0.8968
690 4JM 0.8967
691 AUD 0.8967
692 N8P 0.8967
693 ICB 0.8967
694 M3H 0.8966
695 23A 0.8966
696 LGC 0.8966
697 4AA 0.8965
698 CN0 0.8964
699 4P5 0.8963
700 APY 0.8962
701 PXY 0.8962
702 3DO 0.8962
703 OHG 0.8960
704 FBT 0.8960
705 10L 0.8959
706 Z82 0.8958
707 C21 0.8956
708 2AL 0.8955
709 3AL 0.8955
710 MEQ 0.8955
711 ODO 0.8955
712 ADO 0.8955
713 3BZ 0.8954
714 FPI 0.8953
715 ABU 0.8953
716 C2A 0.8952
717 25R 0.8952
718 OPE 0.8952
719 CRS 0.8952
720 5WV 0.8951
721 PRY 0.8949
722 PKU 0.8949
723 PRA 0.8948
724 SX1 0.8947
725 4JU 0.8947
726 M4T 0.8946
727 IJZ 0.8946
728 4HC 0.8946
729 5HN 0.8945
730 P4B 0.8944
731 WOO 0.8944
732 I1N 0.8944
733 PYD 0.8943
734 CAQ 0.8943
735 JZ4 0.8942
736 NCT 0.8942
737 XSP 0.8942
738 4JT 0.8942
739 069 0.8940
740 P9P 0.8938
741 KBG 0.8938
742 PYC 0.8938
743 INS 0.8938
744 GLY GLY 0.8937
745 H3M 0.8937
746 ADA 0.8935
747 0CT 0.8934
748 AKH 0.8934
749 JB5 0.8932
750 MLE 0.8931
751 MLA 0.8930
752 FPY 0.8929
753 RP7 0.8929
754 NVA 0.8928
755 NCM 0.8928
756 KDG 0.8927
757 4DX 0.8926
758 LPK 0.8925
759 95Z 0.8925
760 9CL 0.8925
761 F81 0.8925
762 5OB 0.8923
763 8NY 0.8923
764 EYK 0.8923
765 J9W 0.8922
766 3IT 0.8920
767 263 0.8920
768 93K 0.8920
769 0RW 0.8919
770 1MC 0.8919
771 B0D 0.8918
772 45L 0.8917
773 174 0.8917
774 2ZV 0.8917
775 0OC 0.8915
776 LDP 0.8915
777 5QY 0.8914
778 GCS 0.8914
779 KKN 0.8914
780 FCN 0.8914
781 9MG 0.8914
782 1DW 0.8913
783 AFR 0.8912
784 2AQ 0.8911
785 ODV 0.8909
786 MLI 0.8909
787 EXO 0.8908
788 P3K 0.8908
789 ES2 0.8908
790 ORO 0.8907
791 TIH 0.8906
792 6KX 0.8905
793 PM6 0.8905
794 H62 0.8904
795 LG3 0.8904
796 3ID 0.8900
797 4FS 0.8900
798 MCT 0.8900
799 TZC 0.8900
800 ES5 0.8899
801 12M 0.8896
802 AMH 0.8896
803 03V 0.8896
804 SHG 0.8896
805 LYL 0.8895
806 NTM 0.8895
807 BML 0.8894
808 4CH 0.8894
809 RCO 0.8894
810 FOT 0.8893
811 LNR 0.8892
812 CLW 0.8891
813 9TW 0.8891
814 PXL 0.8891
815 XRG 0.8890
816 2PN 0.8889
817 MYJ 0.8887
818 CYT 0.8887
819 PZM 0.8886
820 XX2 0.8886
821 7W4 0.8886
822 36R 0.8885
823 HPS 0.8884
824 7NI 0.8883
825 ES4 0.8882
826 TDR 0.8881
827 ECE 0.8880
828 285 0.8880
829 XQ0 0.8879
830 QSB 0.8879
831 2KT 0.8879
832 7MU 0.8878
833 DHK 0.8878
834 RUY 0.8877
835 4NG 0.8877
836 QMP 0.8876
837 3CH 0.8876
838 G6D 0.8875
839 TH0 0.8874
840 FFP 0.8874
841 1SQ 0.8873
842 B57 0.8873
843 NNO 0.8872
844 3ZQ 0.8872
845 PRI 0.8872
846 CTL 0.8870
847 KVP 0.8869
848 GLA 0.8869
849 ISE 0.8869
850 1NP 0.8869
851 ABA 0.8869
852 2MN 0.8868
853 J9Q 0.8868
854 O72 0.8868
855 5NI 0.8867
856 DLY 0.8867
857 BMA 0.8867
858 IVA 0.8867
859 DQA 0.8866
860 BAE 0.8866
861 N5J 0.8866
862 NF3 0.8865
863 XQG 0.8865
864 DQY 0.8865
865 264 0.8863
866 SR1 0.8863
867 GOJ 0.8862
868 5SG 0.8862
869 FW5 0.8861
870 GTK 0.8861
871 A09 0.8861
872 CHB 0.8861
873 VNL 0.8861
874 OCH 0.8860
875 3HM 0.8860
876 GOO 0.8858
877 1SH 0.8858
878 5WX 0.8858
879 SWD 0.8858
880 GV9 0.8858
881 AI2 0.8857
882 3MC 0.8857
883 JF6 0.8856
884 EDR 0.8855
885 5Q0 0.8855
886 DMD 0.8854
887 4HO 0.8853
888 APG 0.8852
889 52C 0.8851
890 IHB 0.8851
891 HQY 0.8851
892 M45 0.8850
893 4SX 0.8850
894 GTR 0.8850
895 H76 0.8849
896 POP 0.8849
897 VGD 0.8848
898 2HO 0.8848
899 12Q 0.8848
900 MS9 0.8847
901 5IQ 0.8847
902 ES1 0.8847
903 BRT 0.8846
904 5XC 0.8846
905 3HP 0.8846
906 GXL 0.8846
907 XBZ 0.8845
908 EA1 0.8844
909 3PY 0.8844
910 KBB 0.8843
911 4A3 0.8843
912 J1Z 0.8843
913 4HS 0.8843
914 XYD 0.8843
915 HC4 0.8843
916 GVG 0.8843
917 94B 0.8842
918 LG5 0.8842
919 4HP 0.8842
920 7VS 0.8842
921 MWM 0.8841
922 265 0.8840
923 BP1 0.8840
924 HX3 0.8840
925 GIV 0.8840
926 PEZ 0.8839
927 43M 0.8839
928 2FG 0.8838
929 JBH 0.8838
930 HLR 0.8837
931 FLM 0.8837
932 4ZE 0.8837
933 B53 0.8837
934 SAT 0.8836
935 5UC 0.8836
936 4YS 0.8836
937 3Z7 0.8836
938 1LM 0.8836
939 DTU 0.8834
940 SN4 0.8833
941 ADZ 0.8833
942 KP6 0.8832
943 FMS 0.8831
944 CYS 0.8831
945 KJU 0.8831
946 FBB 0.8830
947 SSN 0.8830
948 ES7 0.8830
949 260 0.8829
950 HCI 0.8829
951 PMF 0.8829
952 XIY 0.8829
953 HGQ 0.8829
954 FHB 0.8828
955 948 0.8828
956 JPZ 0.8828
957 TYL 0.8827
958 AZA 0.8825
959 2ZM 0.8825
960 YIO 0.8823
961 ES0 0.8823
962 UEG 0.8822
963 3PF 0.8822
964 F9Y 0.8821
965 CAX 0.8820
966 PPY 0.8820
967 0LH 0.8819
968 PG0 0.8818
969 M44 0.8817
970 6NI 0.8817
971 DIU 0.8817
972 CIT 0.8816
973 JLZ 0.8815
974 5VM 0.8814
975 KJH 0.8814
976 7W1 0.8814
977 1GN 0.8812
978 HT4 0.8812
979 BEW 0.8811
980 7CZ 0.8810
981 3FA 0.8810
982 C2U 0.8809
983 A2F 0.8809
984 BVF 0.8808
985 OVM 0.8808
986 A1U 0.8807
987 MBD 0.8807
988 TPO 0.8806
989 M1Q 0.8806
990 4JQ 0.8805
991 SXS 0.8804
992 2AC 0.8803
993 3MB 0.8803
994 ANN 0.8802
995 FLC 0.8801
996 EVA 0.8801
997 ICP 0.8800
998 K2T 0.8799
999 275 0.8799
1000 1P7 0.8799
1001 PLU 0.8798
1002 97T 0.8798
1003 QOS 0.8798
1004 R8S 0.8797
1005 ALL 0.8797
1006 92Z 0.8797
1007 IPZ 0.8797
1008 2YU 0.8796
1009 2BG 0.8795
1010 4XH 0.8795
1011 8LG 0.8794
1012 TB6 0.8793
1013 8GF 0.8793
1014 SYC 0.8792
1015 TFS 0.8792
1016 ADK 0.8792
1017 3MA 0.8792
1018 CWM 0.8792
1019 4ZA 0.8791
1020 1M2 0.8791
1021 5GU 0.8791
1022 152 0.8790
1023 0W8 0.8790
1024 6UA 0.8790
1025 4JN 0.8789
1026 HQT 0.8789
1027 2H5 0.8788
1028 JZ0 0.8788
1029 278 0.8787
1030 DX4 0.8787
1031 5WY 0.8787
1032 LT2 0.8785
1033 DE5 0.8784
1034 DCL 0.8783
1035 2MP 0.8783
1036 GMN 0.8783
1037 SER 0.8783
1038 NVI 0.8782
1039 CTS 0.8781
1040 93Q 0.8781
1041 34A 0.8781
1042 141 0.8781
1043 BFM 0.8780
1044 EQT 0.8779
1045 9R5 0.8778
1046 ICC 0.8778
1047 HH8 0.8778
1048 4PN 0.8777
1049 GAF 0.8775
1050 1AN 0.8775
1051 OXE 0.8775
1052 6GU 0.8775
1053 TM7 0.8774
1054 L89 0.8773
1055 CFP 0.8773
1056 42J 0.8772
1057 1WG 0.8772
1058 RM4 0.8770
1059 NK1 0.8769
1060 IGA 0.8768
1061 2AF 0.8767
1062 FP2 0.8766
1063 D1X 0.8766
1064 5MH 0.8765
1065 FCB 0.8764
1066 2D0 0.8762
1067 3MH 0.8761
1068 JBQ 0.8761
1069 76X 0.8760
1070 2C9 0.8760
1071 CGB 0.8760
1072 6NT 0.8760
1073 OXC 0.8760
1074 4JJ 0.8758
1075 MZG 0.8756
1076 4JO 0.8756
1077 HUI 0.8755
1078 DEE 0.8755
1079 D3M 0.8755
1080 OW4 0.8755
1081 GIO 0.8751
1082 LKA 0.8751
1083 HLZ 0.8750
1084 PIM 0.8748
1085 MPD 0.8747
1086 P22 0.8747
1087 AH8 0.8747
1088 1XN 0.8746
1089 DBJ 0.8746
1090 6AP 0.8746
1091 NDH 0.8745
1092 SGL 0.8744
1093 DIE 0.8744
1094 269 0.8743
1095 AZ8 0.8743
1096 N2Z 0.8741
1097 HVQ 0.8741
1098 4NM 0.8740
1099 4WL 0.8740
1100 L99 0.8740
1101 0HO 0.8740
1102 A7W 0.8739
1103 4HM 0.8738
1104 25W 0.8738
1105 3NY 0.8737
1106 X6X 0.8736
1107 CIG 0.8736
1108 MSN 0.8736
1109 4Z4 0.8736
1110 B85 0.8735
1111 4XX 0.8734
1112 F0J 0.8734
1113 2D8 0.8733
1114 PHT 0.8733
1115 7UC 0.8733
1116 AZG 0.8733
1117 AEG 0.8731
1118 DMG 0.8730
1119 MB3 0.8730
1120 MLM 0.8729
1121 2MY 0.8729
1122 ADM 0.8729
1123 IUR 0.8726
1124 SKA 0.8726
1125 Z5P 0.8726
1126 JBK 0.8725
1127 ENL 0.8723
1128 MO8 0.8723
1129 F31 0.8722
1130 9RH 0.8722
1131 XX3 0.8721
1132 AAE 0.8717
1133 C5J 0.8717
1134 P2D 0.8717
1135 YSO 0.8717
1136 938 0.8716
1137 911 0.8716
1138 ABI 0.8715
1139 JZ2 0.8713
1140 F12 0.8713
1141 MZB 0.8712
1142 QWN 0.8712
1143 V55 0.8712
1144 XYH 0.8711
1145 BVG 0.8711
1146 4CL 0.8709
1147 5JC 0.8708
1148 3A9 0.8705
1149 DGY 0.8704
1150 03W 0.8704
1151 M2K 0.8704
1152 HV2 0.8704
1153 290 0.8704
1154 0CU 0.8703
1155 PPF 0.8702
1156 1SP 0.8701
1157 PIS 0.8701
1158 GZQ 0.8701
1159 8WO 0.8700
1160 E7Z 0.8700
1161 4VY 0.8697
1162 2A9 0.8696
1163 E5X 0.8695
1164 JA8 0.8695
1165 MZ0 0.8695
1166 MWJ 0.8694
1167 IPU 0.8693
1168 2EZ 0.8693
1169 A13 0.8692
1170 UNC 0.8692
1171 HIU 0.8690
1172 Q24 0.8690
1173 1AL 0.8688
1174 CEJ 0.8688
1175 TTY 0.8688
1176 DSN 0.8687
1177 39J 0.8686
1178 2CM 0.8685
1179 4H2 0.8684
1180 YH7 0.8682
1181 BR9 0.8682
1182 2EC 0.8681
1183 4SD 0.8680
1184 27Y 0.8680
1185 6MH 0.8680
1186 X09 0.8680
1187 0HN 0.8680
1188 BPN 0.8677
1189 DE2 0.8677
1190 86J 0.8677
1191 3C4 0.8676
1192 TMZ 0.8676
1193 3HL 0.8676
1194 HBU 0.8675
1195 EUG 0.8675
1196 IV2 0.8675
1197 M6N 0.8675
1198 2CH 0.8674
1199 LEA 0.8673
1200 5B1 0.8673
1201 1XM 0.8673
1202 NK2 0.8670
1203 RJY 0.8670
1204 Q02 0.8669
1205 JIF 0.8669
1206 OMD 0.8668
1207 TMT 0.8668
1208 PC 0.8666
1209 HTS 0.8666
1210 GCO 0.8664
1211 KG7 0.8664
1212 8ZE 0.8661
1213 HQJ 0.8661
1214 1F1 0.8660
1215 2RA 0.8659
1216 PE0 0.8658
1217 40F 0.8656
1218 J9N 0.8656
1219 3CE 0.8656
1220 PHE 0.8655
1221 MFU 0.8655
1222 LZM 0.8651
1223 QXW 0.8650
1224 42A 0.8650
1225 BVC 0.8648
1226 C2N 0.8647
1227 DBB 0.8646
1228 RPQ 0.8646
1229 HHH 0.8645
1230 MSE 0.8645
1231 PNZ 0.8644
1232 TLD 0.8642
1233 AOT 0.8641
1234 F5B 0.8640
1235 M3T 0.8637
1236 X05 0.8636
1237 M4S 0.8636
1238 SKM 0.8636
1239 YAN 0.8635
1240 2HQ 0.8635
1241 150 0.8634
1242 CYH 0.8633
1243 CXL 0.8633
1244 SFU 0.8632
1245 3R6 0.8631
1246 3HR 0.8630
1247 DCD 0.8629
1248 9PY 0.8628
1249 MBG 0.8628
1250 4ZC 0.8628
1251 ICN 0.8627
1252 BTY 0.8625
1253 2CL 0.8625
1254 B55 0.8625
1255 CHT 0.8623
1256 DUB 0.8622
1257 4XV 0.8620
1258 1WC 0.8619
1259 L5V 0.8617
1260 TSS 0.8617
1261 TAY 0.8616
1262 329 0.8616
1263 ALA PRO 0.8609
1264 PRZ 0.8608
1265 DHY 0.8608
1266 HF2 0.8607
1267 HLT 0.8606
1268 4BZ 0.8605
1269 BOA 0.8603
1270 DHQ 0.8602
1271 2CQ 0.8599
1272 Y8I 0.8595
1273 A3B 0.8582
1274 DIN 0.8581
1275 S76 0.8576
1276 N3W 0.8576
1277 7VJ 0.8575
1278 JFD 0.8575
1279 G3E 0.8566
1280 OVP 0.8562
1281 F1A 0.8555
1282 AT3 0.8554
1283 POA 0.8554
1284 5JQ 0.8552
1285 45C 0.8552
1286 34D 0.8551
1287 2HE 0.8550
1288 39A 0.8538
1289 HSL 0.8534
1290 MMA 0.8533
1291 JRB 0.8529
1292 VOH 0.8528
1293 ZB1 0.8527
1294 CWJ 0.8524
1295 A2Q 0.8521
1296 V1L 0.8509
Ligand no: 2; Ligand: L0B; Similar ligands found: 6
No: Ligand Similarity coefficient
1 JPM 0.8718
2 IWX 0.8712
3 3O0 0.8684
4 1G4 0.8633
5 6EZ 0.8568
6 C70 0.8548
Ligand no: 3; Ligand: FHV; Similar ligands found: 632
No: Ligand Similarity coefficient
1 YIP 0.9714
2 LZ5 0.9583
3 4AU 0.9539
4 0OP 0.9528
5 47V 0.9525
6 G14 0.9503
7 6FG 0.9479
8 JMG 0.9461
9 3VQ 0.9455
10 0ON 0.9454
11 5TO 0.9451
12 KLE 0.9448
13 KLS 0.9440
14 ZZA 0.9430
15 5H6 0.9429
16 ZRK 0.9415
17 LR2 0.9414
18 5VU 0.9404
19 MR4 0.9402
20 XCG 0.9393
21 WA1 0.9393
22 1XS 0.9371
23 68B 0.9369
24 GOE 0.9369
25 9JT 0.9367
26 0SY 0.9365
27 S0D 0.9365
28 6H2 0.9365
29 ODK 0.9363
30 C4E 0.9363
31 BVS 0.9362
32 PQM 0.9360
33 OLU 0.9354
34 MR6 0.9348
35 6MW 0.9348
36 YE6 0.9344
37 Y3L 0.9342
38 QIV 0.9341
39 D25 0.9336
40 6C8 0.9335
41 L2K 0.9331
42 TMG 0.9330
43 0UL 0.9329
44 2FX 0.9328
45 833 0.9316
46 M83 0.9315
47 CBE 0.9306
48 SJR 0.9301
49 M4N 0.9294
50 FY8 0.9291
51 MR5 0.9287
52 7EH 0.9286
53 245 0.9283
54 6C5 0.9277
55 0K7 0.9276
56 A51 0.9276
57 PRL 0.9275
58 4CN 0.9274
59 U13 0.9269
60 LR8 0.9265
61 4BX 0.9265
62 P7V 0.9253
63 A9B 0.9248
64 3D8 0.9246
65 6C4 0.9245
66 LJ5 0.9243
67 5C1 0.9219
68 FBC 0.9218
69 ZRL 0.9211
70 PUE 0.9206
71 MKN 0.9206
72 STL 0.9204
73 JF5 0.9203
74 K0G 0.9202
75 RDV 0.9202
76 JCZ 0.9201
77 8CC 0.9201
78 BSU 0.9200
79 AJG 0.9198
80 WDW 0.9198
81 F18 0.9198
82 11X 0.9198
83 5E5 0.9194
84 G2V 0.9192
85 FZM 0.9189
86 0FR 0.9188
87 TJM 0.9182
88 RSV 0.9180
89 7G2 0.9168
90 FYR 0.9166
91 JF8 0.9164
92 PIQ 0.9162
93 BX4 0.9161
94 28A 0.9159
95 ZHA 0.9158
96 HRM 0.9156
97 6P3 0.9154
98 8D6 0.9153
99 AOY 0.9149
100 JAH 0.9147
101 0DF 0.9145
102 GO2 0.9144
103 N91 0.9142
104 272 0.9142
105 IDZ 0.9141
106 XI7 0.9139
107 X2M 0.9139
108 BVB 0.9138
109 2PV 0.9137
110 397 0.9136
111 1FE 0.9135
112 0NJ 0.9132
113 7FZ 0.9131
114 39R 0.9130
115 D9Z 0.9128
116 NK5 0.9127
117 6FB 0.9123
118 P93 0.9122
119 S0A 0.9121
120 3VS 0.9120
121 2QU 0.9119
122 78Y 0.9119
123 83D 0.9118
124 EAT 0.9118
125 A5Q 0.9118
126 2PK 0.9116
127 TRP 0.9116
128 4FF 0.9114
129 ZTW 0.9112
130 5S9 0.9110
131 4RG 0.9108
132 AWE 0.9108
133 0X2 0.9105
134 LJ2 0.9098
135 1A5 0.9097
136 KPV 0.9094
137 E3X 0.9093
138 TOH 0.9092
139 5ER 0.9091
140 TPM 0.9091
141 H35 0.9090
142 TCR 0.9090
143 2P3 0.9086
144 4ZF 0.9086
145 QME 0.9083
146 B21 0.9082
147 MD6 0.9080
148 FER 0.9077
149 ERZ 0.9071
150 SX2 0.9071
151 P4T 0.9070
152 3XH 0.9070
153 L1T 0.9068
154 4G2 0.9068
155 XDN XYP 0.9066
156 XYP XDN 0.9066
157 Q9T 0.9066
158 AVX 0.9065
159 PQS 0.9065
160 1ZC 0.9063
161 9FH 0.9063
162 LJ1 0.9061
163 K7H 0.9061
164 5B2 0.9059
165 A6W 0.9057
166 DHC 0.9056
167 848 0.9052
168 2D2 0.9051
169 1PS 0.9045
170 7O4 0.9045
171 S0B 0.9045
172 IJ6 0.9044
173 XDL XYP 0.9044
174 SOJ 0.9043
175 1YO 0.9042
176 L5D 0.9041
177 C53 0.9040
178 EMU 0.9039
179 1AJ 0.9035
180 363 0.9033
181 EQW 0.9032
182 X48 0.9031
183 OJD 0.9030
184 6C9 0.9030
185 Q4G 0.9030
186 A8D 0.9029
187 2JX 0.9029
188 GB5 0.9028
189 G30 0.9028
190 4GU 0.9027
191 S7D 0.9027
192 4XF 0.9027
193 0NX 0.9026
194 J1K 0.9022
195 MJW 0.9019
196 AJ1 0.9018
197 1Q1 0.9017
198 BP7 0.9016
199 795 0.9015
200 72D 0.9013
201 H75 0.9012
202 VC3 0.9012
203 92G 0.9012
204 38E 0.9009
205 8V8 0.9008
206 ITE 0.9007
207 API 0.9004
208 2QV 0.9004
209 FQX 0.9004
210 3VX 0.8996
211 Q2S 0.8995
212 D26 0.8994
213 KMY 0.8994
214 H4B 0.8994
215 1HP 0.8991
216 SWX 0.8991
217 3D3 0.8990
218 SB7 0.8989
219 LUM 0.8989
220 FCD 0.8989
221 I2E 0.8989
222 5SJ 0.8989
223 4UM 0.8987
224 3IP 0.8987
225 GJG 0.8986
226 BBY 0.8986
227 A5H 0.8986
228 N5B 0.8985
229 RF2 0.8984
230 B5A 0.8981
231 LIG 0.8980
232 A05 0.8979
233 KWV 0.8977
234 2M7 0.8976
235 5WK 0.8974
236 1DR 0.8974
237 IQQ 0.8974
238 JOV 0.8973
239 TYR 0.8973
240 5F8 0.8967
241 Q92 0.8964
242 2J1 0.8964
243 0XR 0.8960
244 0MB 0.8960
245 FCW 0.8959
246 GVY 0.8958
247 6SD 0.8953
248 C1E 0.8950
249 5TU 0.8950
250 JX7 0.8949
251 S8G 0.8949
252 54E 0.8949
253 RA7 0.8948
254 NIY 0.8948
255 HPZ 0.8947
256 TVC 0.8947
257 ZIP 0.8947
258 72G 0.8946
259 0OK 0.8945
260 5TT 0.8943
261 4HB 0.8942
262 PPY 0.8942
263 UAY 0.8939
264 IIH 0.8938
265 4LW 0.8938
266 C82 0.8936
267 D1G 0.8934
268 2WU 0.8934
269 JBZ 0.8933
270 NAL 0.8933
271 XEV 0.8933
272 27K 0.8931
273 QBP 0.8931
274 BGU 0.8930
275 KWB 0.8927
276 5OR 0.8926
277 Z3R 0.8925
278 N9M 0.8924
279 1EB 0.8923
280 7FU 0.8922
281 DT7 0.8922
282 PZX 0.8921
283 F40 0.8920
284 7MW 0.8919
285 LFK 0.8919
286 IEE 0.8918
287 XIL 0.8917
288 S60 0.8917
289 8M5 0.8916
290 DTR 0.8916
291 7ZO 0.8915
292 L15 0.8915
293 121 0.8914
294 7G0 0.8914
295 3SU 0.8914
296 A6Z 0.8913
297 1SF 0.8913
298 A7Q 0.8912
299 IW3 0.8912
300 IW4 0.8911
301 39Z 0.8909
302 XYP XYP 0.8906
303 27M 0.8904
304 D3G 0.8904
305 U14 0.8902
306 ESJ 0.8898
307 20D 0.8896
308 JL7 0.8896
309 JGB 0.8895
310 22T 0.8893
311 2QC 0.8893
312 DFL 0.8892
313 3CX 0.8892
314 7L4 0.8892
315 613 0.8892
316 CMG 0.8891
317 TID 0.8890
318 YE7 0.8890
319 VFM 0.8890
320 P4L 0.8889
321 DUR 0.8889
322 NFZ 0.8888
323 36M 0.8887
324 DBE 0.8886
325 LC1 0.8886
326 37E 0.8884
327 BIK 0.8884
328 VBC 0.8883
329 RGK 0.8883
330 6DQ 0.8883
331 8YH 0.8883
332 TVZ 0.8882
333 DUL 0.8881
334 LVD 0.8881
335 KLV 0.8880
336 3IL 0.8879
337 A73 0.8879
338 X0U 0.8876
339 U4J 0.8876
340 5FL 0.8875
341 B1J 0.8874
342 2GQ 0.8874
343 AP6 0.8873
344 IOP 0.8873
345 AD6 0.8873
346 26C 0.8871
347 5AD 0.8870
348 S1D 0.8869
349 ZEA 0.8869
350 EES 0.8869
351 DAH 0.8868
352 C4F 0.8867
353 S98 0.8865
354 TIA 0.8865
355 WLH 0.8865
356 YZM 0.8865
357 GHQ 0.8863
358 HNT 0.8862
359 124 0.8862
360 EQA 0.8862
361 BMZ 0.8861
362 122 0.8861
363 3F4 0.8859
364 UV4 0.8858
365 V2Z 0.8856
366 AUV 0.8855
367 JVD 0.8854
368 1V1 0.8853
369 3Q0 0.8852
370 VGS 0.8851
371 CX6 0.8850
372 L03 0.8849
373 K48 0.8848
374 5TZ 0.8848
375 5TY 0.8848
376 C0H 0.8847
377 ENO 0.8847
378 J38 0.8846
379 FC2 0.8846
380 XYS XYS 0.8845
381 SZ5 0.8844
382 F02 0.8844
383 VFG 0.8843
384 CIR 0.8843
385 120 0.8842
386 SCE 0.8841
387 A98 0.8838
388 ARG 0.8838
389 28B 0.8837
390 4I8 0.8836
391 PIT 0.8834
392 801 0.8830
393 FF2 0.8829
394 GT4 0.8829
395 WV7 0.8828
396 4K2 0.8827
397 68C 0.8825
398 BQ2 0.8823
399 1V8 0.8823
400 II4 0.8822
401 5GV 0.8820
402 NDD 0.8820
403 CT0 0.8818
404 DX7 0.8817
405 SU9 0.8814
406 RKV 0.8813
407 52F 0.8811
408 HC4 0.8811
409 7R4 0.8811
410 EEK 0.8811
411 LO1 0.8811
412 1V4 0.8810
413 MPP 0.8809
414 1KN 0.8809
415 MUX 0.8807
416 F4K 0.8806
417 DAR 0.8806
418 IBP 0.8804
419 GB4 0.8802
420 CR4 0.8801
421 WCU 0.8801
422 90G 0.8799
423 HH6 0.8798
424 8KW 0.8797
425 P2L 0.8796
426 802 0.8795
427 HAR 0.8795
428 4FP 0.8794
429 JSX 0.8791
430 RGP 0.8790
431 AZC 0.8790
432 ZMG 0.8789
433 STV 0.8789
434 25F 0.8789
435 5O6 0.8788
436 4LV 0.8788
437 FMQ 0.8786
438 14W 0.8784
439 P80 0.8784
440 97K 0.8784
441 9NB 0.8784
442 HPX 0.8783
443 1ER 0.8783
444 57D 0.8781
445 S7S 0.8781
446 LFQ 0.8780
447 D2G 0.8779
448 IW5 0.8778
449 15Q 0.8778
450 S7V 0.8777
451 0LO 0.8776
452 4Z3 0.8776
453 9CE 0.8774
454 NXB 0.8772
455 6KT 0.8772
456 NE2 0.8771
457 6QT 0.8770
458 HRD 0.8770
459 D8Q 0.8769
460 A63 0.8768
461 PTB 0.8768
462 OUA 0.8768
463 WA2 0.8767
464 LOT 0.8765
465 4FE 0.8762
466 5GT 0.8761
467 HL6 0.8761
468 D8B 0.8760
469 6Q3 0.8758
470 JFS 0.8756
471 3D1 0.8755
472 4L2 0.8755
473 0QA 0.8755
474 AMR 0.8753
475 7N8 0.8752
476 94X 0.8751
477 2OX 0.8751
478 HSA 0.8749
479 6BK 0.8749
480 XYP XIF 0.8749
481 RE2 0.8747
482 4Z9 0.8746
483 ZYQ 0.8745
484 VUP 0.8743
485 GGB 0.8742
486 TB8 0.8740
487 4Z1 0.8737
488 PLP 0.8736
489 SYE 0.8736
490 8UY 0.8735
491 AGI 0.8734
492 5NN 0.8733
493 AES 0.8733
494 58X 0.8732
495 YZ9 0.8731
496 5WT 0.8729
497 SNJ 0.8727
498 0RY 0.8727
499 LPA 0.8726
500 AVA 0.8725
501 TIZ 0.8725
502 08C 0.8723
503 XYS XYP 0.8723
504 P81 0.8722
505 MMS 0.8721
506 5BX 0.8720
507 1Q2 0.8719
508 4MB 0.8717
509 PHQ DAL 0.8717
510 4YE 0.8716
511 A9E 0.8715
512 HXY 0.8714
513 9BF 0.8714
514 C0W 0.8714
515 3JC 0.8711
516 DDC 0.8710
517 7KE 0.8708
518 657 0.8708
519 HHV 0.8707
520 BSA 0.8707
521 6ZW 0.8706
522 RCV 0.8706
523 PPN 0.8705
524 M01 0.8704
525 NIF 0.8704
526 S62 0.8700
527 XIF XYP 0.8699
528 1V3 0.8699
529 OQC 0.8696
530 BBP 0.8694
531 4P9 0.8693
532 Z70 0.8692
533 4BY 0.8692
534 4AF 0.8691
535 IYR 0.8691
536 OUG 0.8690
537 M78 0.8689
538 2LW 0.8688
539 E9S 0.8687
540 DTB 0.8687
541 HRG 0.8687
542 PNP 0.8687
543 1HR 0.8686
544 1R5 0.8686
545 ENW 0.8685
546 18E 0.8684
547 ARJ 0.8684
548 1OT 0.8683
549 4NP 0.8682
550 NE1 0.8681
551 CX5 0.8680
552 FT6 0.8680
553 N9J 0.8679
554 92O 0.8679
555 4BL 0.8678
556 KVD 0.8677
557 IPJ 0.8677
558 ZEZ 0.8677
559 72E 0.8674
560 KW7 0.8673
561 NW1 0.8673
562 ZEC 0.8672
563 NRA 0.8670
564 EQU 0.8670
565 CWE 0.8669
566 CXH 0.8669
567 VFJ 0.8668
568 5ZM 0.8668
569 VGV 0.8667
570 CTE 0.8665
571 27F 0.8665
572 MUK 0.8665
573 NAR 0.8664
574 GJK 0.8662
575 RYV 0.8662
576 IPO 0.8660
577 OSY 0.8659
578 ENV 0.8659
579 Z21 0.8658
580 3R4 0.8655
581 AO 0.8654
582 AOT 0.8653
583 EST 0.8651
584 3WL 0.8649
585 EGV 0.8642
586 NU3 0.8642
587 DX2 0.8641
588 26P 0.8640
589 AJ4 0.8639
590 JA5 0.8638
591 S8P 0.8635
592 PBN 0.8631
593 U12 0.8629
594 3ZB 0.8626
595 AZM 0.8624
596 3K1 0.8623
597 EIP 0.8622
598 SQM 0.8622
599 1UZ 0.8621
600 GZ2 0.8621
601 5WN 0.8612
602 OOG 0.8610
603 T21 0.8609
604 X6W 0.8608
605 CUE 0.8606
606 NPS 0.8604
607 47X 0.8602
608 XOG 0.8601
609 U55 0.8599
610 M3W 0.8596
611 3GX 0.8594
612 3N0 0.8592
613 6FX 0.8592
614 KU1 0.8583
615 ALE 0.8580
616 TZP 0.8579
617 0F3 0.8577
618 PW5 0.8576
619 1V0 0.8572
620 A7H 0.8568
621 EZL 0.8565
622 HWB 0.8562
623 NOT 0.8560
624 789 0.8559
625 RBV 0.8558
626 IGP 0.8558
627 REG 0.8557
628 PCQ 0.8552
629 ALY 0.8551
630 MMJ 0.8548
631 H2W 0.8544
632 HPP 0.8539
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5OUH; Ligand: L0B; 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: 5ouh.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5OUH; Ligand: L0B; 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: 5ouh.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5OUH; Ligand: L0B; 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: 5ouh.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5OUH; Ligand: L0B; 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: 5ouh.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5OUH; Ligand: L0B; 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: 5ouh.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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