Receptor
PDB id Resolution Class Description Source Keywords
5AFK 2.38 Å NON-ENZYME: SIGNAL_HORMONE ALPHA7-ACHBP IN COMPLEX WITH LOBELINE AND FRAGMENT 2 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
5VU A:1207;
E:1207;
E:1208;
C:1208;
D:1206;
B:1207;
 Valid;
Invalid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
 ic50 = 132 uM
226.223 C11 H12 F2 N2 O c1cc(...
NAG NAG J:1;
H:1;
G:1;
I:1;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
408.404 n/a O=C(N...
L0B D:1205;
E:1205;
B: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...
NAG NAG BMA MAN F:1;
 Invalid;
 none;
 submit data
732.686 n/a O=C(N...
GOL C:1206;
E:1206;
C:1207;
B:1206;
A:1206;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
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 (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 2XYT Ki = 509.2 nM TC9 C37 H42 N2 O6 C[N@H+]1CC....
2 2YMD Kd = 693 uM SRO C10 H12 N2 O c1cc2c(cc1....
3 4QAC Kd = 0.0004 uM KK3 C17 H19 F3 N4 CC1CCN(CC1....
4 1UW6 Kd = 45.2 nM NCT C10 H14 N2 C[N@@]1CCC....
5 3WTM Kd = 0.1 uM N1Y C10 H11 Cl N4 O2 c1cc(ncc1C....
6 5J5G Kd = 0.03 uM 6GF C23 H22 N6 O COc1ccc(cc....
7 3WTN Kd = 0.091 uM N2Y C9 H11 Cl N4 [H]/N=C1/N....
8 4ALX Ki = 52 nM IZN C16 H21 N O3 CO[C@H]1CC....
9 1UV6 Kd = 7575 nM CCE C6 H15 N2 O2 C[N+](C)(C....
10 5AFH - L0B C22 H27 N O2 CN1[C@@H](....
11 5OUH - L0B C22 H27 N O2 CN1[C@@H](....
12 5AFK ic50 = 132 uM 5VU C11 H12 F2 N2 O c1cc(c(cc1....
13 5AFN ic50 = 34 uM OJD C12 H15 N O c1ccc(cc1)....
14 4UXU - MLK C37 H50 N2 O10 CC[N@]1C[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5VU; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 5VU 1 1
Ligand no: 2; Ligand: L0B; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 L0B 1 1
2 LOB 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 5VU; Similar ligands found: 775
No: Ligand Similarity coefficient
1 5S9 0.9620
2 RSV 0.9596
3 0UL 0.9560
4 AP6 0.9518
5 PIQ 0.9503
6 0DF 0.9495
7 0ON 0.9475
8 AJG 0.9458
9 68B 0.9443
10 Y3L 0.9441
11 C4E 0.9436
12 5C1 0.9435
13 4ZF 0.9418
14 5H6 0.9417
15 ZSP 0.9414
16 P4T 0.9408
17 FHV 0.9404
18 1HP 0.9399
19 1XS 0.9385
20 L2K 0.9377
21 2PV 0.9376
22 2PK 0.9371
23 397 0.9371
24 LZ5 0.9366
25 3IP 0.9359
26 4AU 0.9359
27 S0D 0.9352
28 QIV 0.9348
29 DX2 0.9345
30 1V4 0.9342
31 4CN 0.9339
32 P7V 0.9335
33 LJ5 0.9328
34 5ER 0.9325
35 H4B 0.9322
36 M83 0.9321
37 JMG 0.9318
38 C0V 0.9318
39 OLU 0.9315
40 XCG 0.9315
41 0NJ 0.9313
42 4Z1 0.9312
43 KLE 0.9309
44 4HB 0.9309
45 TMG 0.9308
46 1FE 0.9307
47 6H2 0.9307
48 0FR 0.9304
49 F40 0.9302
50 833 0.9301
51 26C 0.9299
52 D9Z 0.9299
53 FYR 0.9298
54 2FX 0.9289
55 FC2 0.9286
56 YE6 0.9283
57 E3X 0.9283
58 FCD 0.9283
59 7L4 0.9282
60 3VQ 0.9280
61 NDD 0.9272
62 JF8 0.9271
63 PQM 0.9269
64 ODK 0.9264
65 YZ9 0.9264
66 363 0.9264
67 0K7 0.9261
68 848 0.9261
69 6P3 0.9257
70 6J5 0.9256
71 UAY 0.9255
72 GT4 0.9253
73 JCZ 0.9253
74 3D8 0.9250
75 ERZ 0.9249
76 HBI 0.9242
77 CMG 0.9238
78 AJ1 0.9237
79 MR4 0.9235
80 5B2 0.9230
81 GO2 0.9223
82 4FC 0.9222
83 7EH 0.9218
84 BIO 0.9215
85 SX2 0.9210
86 5GV 0.9210
87 LR2 0.9209
88 5E5 0.9208
89 2GQ 0.9207
90 1DR 0.9207
91 ZZA 0.9207
92 4GU 0.9207
93 28A 0.9204
94 B21 0.9204
95 D64 0.9202
96 6DQ 0.9200
97 CHQ 0.9198
98 6QT 0.9198
99 KP2 0.9196
100 9CE 0.9194
101 ZRK 0.9194
102 KLS 0.9194
103 NFZ 0.9191
104 P4L 0.9190
105 2QU 0.9188
106 GB4 0.9188
107 2P3 0.9187
108 G2V 0.9186
109 2JX 0.9186
110 NKI 0.9184
111 9JT 0.9184
112 1YO 0.9179
113 3F4 0.9178
114 B1J 0.9176
115 20D 0.9176
116 G14 0.9176
117 BVS 0.9176
118 A6W 0.9174
119 EES 0.9174
120 SQM 0.9173
121 WA1 0.9172
122 RGK 0.9172
123 MR5 0.9169
124 Q0K 0.9169
125 1AJ 0.9166
126 ZTW 0.9165
127 TJM 0.9164
128 A9B 0.9163
129 U13 0.9163
130 SZ5 0.9162
131 S98 0.9160
132 4NR 0.9159
133 0SY 0.9158
134 TID 0.9154
135 0OK 0.9152
136 8M5 0.9151
137 14N 0.9149
138 BMC 0.9149
139 HH6 0.9146
140 AOY 0.9146
141 CX5 0.9142
142 DFL 0.9141
143 Q4G 0.9141
144 TRP 0.9141
145 F18 0.9137
146 7PJ 0.9137
147 5WK 0.9135
148 1V8 0.9134
149 2QV 0.9133
150 IQW 0.9131
151 1A5 0.9130
152 9FG 0.9127
153 WLH 0.9125
154 FY8 0.9123
155 2WU 0.9122
156 TPM 0.9121
157 FZM 0.9119
158 XEV 0.9119
159 1V1 0.9119
160 GB5 0.9117
161 11X 0.9117
162 EYJ 0.9115
163 I2E 0.9115
164 2J1 0.9112
165 NPS 0.9111
166 NEU 0.9111
167 AVX 0.9107
168 4BX 0.9106
169 CBE 0.9105
170 ZEA 0.9103
171 47X 0.9103
172 MD6 0.9103
173 25F 0.9102
174 6C8 0.9102
175 2K8 0.9102
176 H75 0.9100
177 TYR 0.9098
178 SJR 0.9098
179 3GX 0.9097
180 XYP XYP 0.9096
181 AMR 0.9096
182 HNT 0.9095
183 IDZ 0.9094
184 9VZ 0.9092
185 PRL 0.9092
186 245 0.9090
187 613 0.9089
188 1V3 0.9089
189 DXK 0.9087
190 4FE 0.9087
191 M4N 0.9086
192 LR8 0.9084
193 47V 0.9083
194 4UM 0.9083
195 2L1 0.9081
196 9BF 0.9080
197 RPN 0.9079
198 WDW 0.9077
199 IOP 0.9072
200 6FB 0.9070
201 A73 0.9069
202 5TO 0.9068
203 6FG 0.9067
204 EI1 0.9067
205 XYS XYS 0.9066
206 D25 0.9064
207 GVY 0.9064
208 BSU 0.9063
209 NEO 0.9061
210 5M2 0.9060
211 RVE 0.9059
212 6MW 0.9059
213 ZRL 0.9059
214 QC1 0.9056
215 7G2 0.9055
216 LWA 0.9055
217 HRD 0.9052
218 A51 0.9052
219 MHB 0.9051
220 7FU 0.9051
221 0XR 0.9050
222 LUM 0.9050
223 WG8 0.9047
224 VJJ 0.9046
225 L1T 0.9046
226 A05 0.9046
227 8CC 0.9045
228 6SD 0.9042
229 3SU 0.9041
230 4K2 0.9041
231 2D2 0.9039
232 BXS 0.9038
233 1EB 0.9038
234 II4 0.9038
235 X2M 0.9038
236 FER 0.9037
237 1SF 0.9037
238 FMQ 0.9036
239 DHC 0.9033
240 6KT 0.9033
241 272 0.9032
242 BP7 0.9031
243 97K 0.9031
244 3G3 0.9030
245 5NN 0.9029
246 4I8 0.9029
247 C53 0.9028
248 LJ2 0.9027
249 135 0.9027
250 ITE 0.9025
251 1ZC 0.9025
252 5OR 0.9022
253 YE7 0.9021
254 A5Q 0.9020
255 Q2S 0.9020
256 XYP XIF 0.9018
257 XIF XYP 0.9018
258 EYY 0.9018
259 4AB 0.9017
260 3VS 0.9017
261 A7H 0.9016
262 JGB 0.9016
263 5TY 0.9016
264 92G 0.9015
265 JAH 0.9014
266 RE4 0.9014
267 EF2 0.9013
268 7FZ 0.9013
269 X48 0.9011
270 MPU 0.9009
271 6C5 0.9009
272 QME 0.9008
273 FF2 0.9008
274 3IL 0.9008
275 HC4 0.9007
276 ZIP 0.9006
277 IPO 0.9006
278 WV7 0.9006
279 EUH 0.9006
280 N5B 0.9005
281 ARJ 0.9004
282 3WL 0.9004
283 SWX 0.9002
284 3VX 0.9001
285 H2B 0.9000
286 EQA 0.8999
287 ZHA 0.8999
288 WCU 0.8999
289 GJB 0.8998
290 XDL XYP 0.8998
291 AX5 0.8997
292 TCR 0.8997
293 VC3 0.8996
294 A5H 0.8995
295 PTB 0.8993
296 NPX 0.8993
297 5O6 0.8989
298 52F 0.8988
299 3XH 0.8988
300 LJ1 0.8988
301 CX6 0.8985
302 7AP 0.8985
303 124 0.8984
304 7G0 0.8983
305 HHS 0.8983
306 B5A 0.8982
307 GEN 0.8982
308 1OT 0.8982
309 OA4 0.8981
310 JBZ 0.8979
311 MKN 0.8974
312 N91 0.8974
313 JF5 0.8974
314 GOE 0.8974
315 LIG 0.8973
316 HRM 0.8972
317 ZYQ 0.8971
318 8D6 0.8970
319 AUE 0.8970
320 7MW 0.8970
321 EQU 0.8969
322 27K 0.8969
323 7PS 0.8968
324 121 0.8966
325 801 0.8965
326 0QV 0.8965
327 XI7 0.8963
328 LI7 0.8963
329 ENO 0.8962
330 EST 0.8962
331 1BW 0.8961
332 08C 0.8960
333 VT3 0.8960
334 697 0.8959
335 BBY 0.8958
336 PUE 0.8958
337 WA2 0.8957
338 LO1 0.8956
339 L03 0.8956
340 DTY 0.8955
341 U14 0.8955
342 JCQ 0.8955
343 5TU 0.8955
344 BC5 0.8954
345 5OO 0.8954
346 KF5 0.8953
347 Z3R 0.8953
348 657 0.8953
349 39R 0.8951
350 68C 0.8951
351 J84 0.8950
352 SCE 0.8950
353 A8D 0.8949
354 P2L 0.8948
355 A63 0.8947
356 NK5 0.8945
357 MR6 0.8943
358 HO6 0.8943
359 ESJ 0.8941
360 38E 0.8941
361 6BK 0.8940
362 E6Q 0.8937
363 M3W 0.8935
364 J1K 0.8933
365 MQR 0.8931
366 VBC 0.8930
367 S0A 0.8929
368 K0G 0.8927
369 50C 0.8927
370 EQW 0.8927
371 M78 0.8925
372 ZAR 0.8924
373 VGV 0.8923
374 JVD 0.8921
375 DBE 0.8920
376 D26 0.8919
377 5AD 0.8919
378 4G2 0.8919
379 VUP 0.8919
380 IS2 0.8918
381 78Y 0.8918
382 H35 0.8918
383 AUG 0.8917
384 BGU 0.8917
385 IIH 0.8917
386 5SJ 0.8917
387 72E 0.8914
388 P81 0.8913
389 E9L 0.8912
390 EZL 0.8912
391 GO8 0.8911
392 S1D 0.8910
393 K48 0.8910
394 3AD 0.8909
395 20N 0.8909
396 JFS 0.8908
397 1Q4 0.8907
398 Q9T 0.8906
399 YIP 0.8906
400 8Y7 0.8906
401 UL1 0.8901
402 YF3 0.8901
403 S60 0.8900
404 4FF 0.8900
405 0OO 0.8900
406 789 0.8900
407 92O 0.8899
408 120 0.8899
409 RK4 0.8898
410 1FL 0.8898
411 GZV 0.8898
412 D1Y 0.8897
413 JA5 0.8897
414 3D3 0.8896
415 BHS 0.8896
416 FCW 0.8895
417 U4J 0.8894
418 J27 0.8893
419 795 0.8892
420 ZEZ 0.8891
421 91F 0.8891
422 G30 0.8890
423 5WN 0.8890
424 7ZO 0.8890
425 CUE 0.8886
426 BG8 0.8884
427 KMY 0.8883
428 2J5 0.8882
429 5FL 0.8882
430 H2W 0.8881
431 KW7 0.8880
432 CDJ 0.8880
433 W8L 0.8880
434 P1J 0.8880
435 OA1 0.8880
436 KU1 0.8878
437 IQQ 0.8878
438 TIA 0.8878
439 5TT 0.8876
440 EAT 0.8874
441 AX4 0.8874
442 EAE 0.8873
443 041 0.8872
444 CX4 0.8871
445 BMZ 0.8870
446 TOH 0.8870
447 AUY 0.8869
448 Z21 0.8869
449 4Z3 0.8869
450 FWD 0.8868
451 8V8 0.8868
452 6C9 0.8866
453 0RY 0.8865
454 5ZM 0.8865
455 TYC 0.8864
456 AUV 0.8863
457 XDN XYP 0.8863
458 XYP XDN 0.8863
459 7EL 0.8862
460 LC1 0.8862
461 0NX 0.8862
462 AWE 0.8861
463 STL 0.8860
464 LJ4 0.8859
465 PLP 0.8857
466 NE2 0.8856
467 88X 0.8856
468 8YH 0.8855
469 NAL 0.8854
470 Q92 0.8853
471 LOT 0.8852
472 3NF 0.8852
473 5P3 0.8852
474 6EL 0.8848
475 E9S 0.8847
476 68A 0.8845
477 NW1 0.8844
478 NQ7 0.8843
479 J3Z 0.8843
480 GJK 0.8842
481 QBP 0.8842
482 DAH 0.8841
483 RCV 0.8838
484 TVC 0.8838
485 6L6 0.8838
486 72D 0.8837
487 NIF 0.8837
488 49P 0.8836
489 CR4 0.8835
490 L5D 0.8835
491 LFQ 0.8833
492 0MB 0.8833
493 JSX 0.8833
494 27F 0.8832
495 AV4 0.8832
496 PMM 0.8831
497 2OX 0.8829
498 57D 0.8828
499 FT6 0.8828
500 J38 0.8827
501 X0U 0.8826
502 5V7 0.8824
503 XIL 0.8822
504 QKU 0.8822
505 5F8 0.8821
506 122 0.8821
507 Z25 0.8820
508 9FH 0.8820
509 738 0.8819
510 A7K 0.8818
511 18E 0.8818
512 6C4 0.8816
513 XYS XYP 0.8814
514 CG 0.8814
515 V1T 0.8813
516 5XL 0.8811
517 6ZX 0.8810
518 RF2 0.8809
519 HWD 0.8807
520 5CQ 0.8806
521 9NB 0.8805
522 LVY 0.8805
523 2UD 0.8804
524 FQX 0.8803
525 23M 0.8802
526 1Q1 0.8798
527 M3F 0.8797
528 UN9 0.8797
529 OJD 0.8796
530 LFN 0.8795
531 CK2 0.8795
532 JOV 0.8795
533 MJW 0.8794
534 VIB 0.8792
535 0OP 0.8792
536 V15 0.8790
537 BQ2 0.8790
538 ITW 0.8789
539 HHV 0.8789
540 GNW 0.8788
541 IXM 0.8788
542 36M 0.8788
543 PZX 0.8787
544 6N4 0.8787
545 6VW 0.8786
546 6WR 0.8785
547 RDV 0.8785
548 RA7 0.8785
549 GZ2 0.8783
550 C1E 0.8783
551 4CF 0.8783
552 ADN 0.8782
553 BIH 0.8782
554 BZM 0.8780
555 22T 0.8778
556 TB8 0.8778
557 4Z0 0.8778
558 39Z 0.8777
559 EMU 0.8777
560 Q5M 0.8777
561 C82 0.8776
562 G1L 0.8772
563 S7S 0.8772
564 L15 0.8771
565 0X2 0.8771
566 GJG 0.8770
567 K7H 0.8769
568 7O4 0.8769
569 NE1 0.8769
570 90G 0.8768
571 IW3 0.8767
572 N4E 0.8765
573 DDC 0.8765
574 3CX 0.8764
575 KYN 0.8762
576 IGP 0.8760
577 ASE 0.8760
578 AVA 0.8759
579 PPY 0.8759
580 9KL 0.8759
581 OQC 0.8758
582 5WT 0.8756
583 NY4 0.8756
584 DTR 0.8756
585 SJK 0.8754
586 HWH 0.8752
587 AJ6 0.8751
588 NRA 0.8750
589 BX4 0.8750
590 CTN 0.8747
591 EAJ 0.8747
592 FBC 0.8746
593 3ZB 0.8746
594 5CK 0.8745
595 LJ3 0.8745
596 BWD 0.8740
597 AJ4 0.8735
598 FNT 0.8732
599 9UL 0.8731
600 KLV 0.8731
601 EP1 0.8730
602 AQN 0.8728
603 4V2 0.8728
604 1UZ 0.8726
605 IPJ 0.8725
606 PQS 0.8723
607 ESZ 0.8722
608 KWB 0.8721
609 LTN 0.8721
610 O53 0.8720
611 3WK 0.8720
612 F02 0.8719
613 HJH 0.8718
614 205 0.8718
615 IW4 0.8718
616 ESL 0.8716
617 MQS 0.8716
618 JBB 0.8715
619 KWV 0.8715
620 J3B 0.8711
621 28B 0.8709
622 IW5 0.8709
623 F91 0.8709
624 DBS 0.8708
625 4P9 0.8708
626 IW1 0.8707
627 GHQ 0.8706
628 AD6 0.8706
629 JL7 0.8705
630 OTA 0.8705
631 PIT 0.8704
632 CT0 0.8704
633 D8Q 0.8704
634 PFF 0.8704
635 D1G 0.8703
636 F5C 0.8703
637 X8I 0.8702
638 4BY 0.8701
639 ZEC 0.8701
640 AFX 0.8698
641 J2N 0.8696
642 1PS 0.8695
643 40N 0.8695
644 A4N 0.8694
645 RFZ 0.8692
646 37E 0.8692
647 TES 0.8692
648 BRY 0.8692
649 NIY 0.8692
650 12R 0.8692
651 3EB 0.8690
652 LVD 0.8690
653 G6P 0.8688
654 AGI 0.8688
655 SB7 0.8688
656 C4F 0.8687
657 3D1 0.8685
658 L22 0.8685
659 UN4 0.8684
660 S7V 0.8684
661 PCQ 0.8683
662 IWD 0.8683
663 HHB 0.8681
664 7ZL 0.8680
665 1Q2 0.8679
666 5CD 0.8679
667 4LW 0.8676
668 PMP 0.8675
669 C9M 0.8675
670 JGY 0.8673
671 802 0.8670
672 M02 0.8668
673 M01 0.8667
674 AZC 0.8662
675 DX6 0.8662
676 1HR 0.8662
677 QS4 0.8660
678 NXB 0.8655
679 2M7 0.8654
680 UNJ 0.8653
681 EXG 0.8653
682 B61 0.8652
683 T1N 0.8652
684 D3G 0.8649
685 M77 0.8648
686 EEK 0.8647
687 VM7 0.8647
688 0LA 0.8647
689 344 0.8646
690 S8P 0.8644
691 S8G 0.8644
692 B56 0.8644
693 ENG 0.8643
694 PJK 0.8642
695 8SK 0.8642
696 JWS 0.8642
697 61M 0.8640
698 ANC 0.8637
699 HPK 0.8637
700 ESR 0.8636
701 P93 0.8636
702 108 0.8635
703 4BF 0.8635
704 5BX 0.8635
705 SNV 0.8634
706 83D 0.8633
707 GGB 0.8633
708 6QF 0.8632
709 TYP 0.8631
710 TIZ 0.8629
711 3Y7 0.8628
712 MMS 0.8628
713 R18 0.8627
714 ARG 0.8627
715 S0B 0.8625
716 LU2 0.8623
717 AOM 0.8623
718 19E 0.8622
719 2LT 0.8621
720 17M 0.8618
721 EYV 0.8617
722 IYR 0.8617
723 109 0.8617
724 QNM 0.8613
725 DHT 0.8613
726 CK1 0.8612
727 7N8 0.8611
728 PH3 0.8609
729 AV7 0.8606
730 BVB 0.8605
731 A98 0.8603
732 NQ8 0.8602
733 PH2 0.8601
734 3R4 0.8601
735 4L2 0.8601
736 GXD 0.8600
737 XYP XYS 0.8599
738 TVZ 0.8597
739 2L2 0.8596
740 IDD 0.8595
741 8UY 0.8594
742 S45 0.8593
743 VGS 0.8591
744 1QV 0.8591
745 N0Z 0.8591
746 7LU 0.8590
747 JRO 0.8589
748 WSD 0.8586
749 4HG 0.8585
750 IMH 0.8584
751 IEE 0.8581
752 6WU 0.8578
753 X2L 0.8577
754 P80 0.8574
755 UM3 0.8573
756 3QV 0.8573
757 2GD 0.8572
758 D2G 0.8571
759 6WL 0.8570
760 N18 0.8568
761 DT7 0.8565
762 DFV 0.8564
763 MUK 0.8564
764 A4D 0.8563
765 MUR 0.8562
766 5XM 0.8560
767 ELH 0.8559
768 Y3J 0.8555
769 RUG 0.8554
770 H4E 0.8550
771 5DS 0.8543
772 ASD 0.8534
773 FZ3 0.8528
774 AZY 0.8513
775 878 0.8504
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
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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