Receptor
PDB id Resolution Class Description Source Keywords
1M67 2.5 Å EC: 1.1.1.8 CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GPDH COMPLEXED WITH 2-BROMO-6-HYDROXY-PURINE LEISHMANIA MEXICANA NAD-BINDING MOTIF OXIDOREDUCTASE
Ref.: ANOMALOUS DIFFERENCES OF LIGHT ELEMENTS IN DETERMIN PRECISE BINDING MODES OF LIGANDS TO GLYCEROL-3-PHOS DEHYDROGENASE CHEM.BIOL. V. 9 1189 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BOA A:402;
Valid;
none;
submit data
215.008 C5 H3 Br N4 O c1[nH...
PLM A:401;
Valid;
none;
submit data
256.424 C16 H32 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1N1G 2.5 Å EC: 1.1.1.8 CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHAT DEHYDROGENASE WITH INHIBITOR BCP LEISHMANIA MEXICANA NAD BINDING DOMAIN OXIDOREDUCTASE
Ref.: ANOMALOUS DIFFERENCES OF LIGHT ELEMENTS IN DETERMIN PRECISE BINDING MODES OF LIGANDS TO GLYCEROL-3-PHOS DEHYDROGENASE. CHEM.BIOL. V. 9 1189 2002
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1JDJ - CFP C5 H2 Cl F N4 c1[nH]c2c(....
2 1M66 - PLM C16 H32 O2 CCCCCCCCCC....
3 1N1G ic50 = 5 mM BCP C5 H2 Br Cl N4 c1[nH]c2c(....
4 1M67 - PLM C16 H32 O2 CCCCCCCCCC....
5 1N1E - NDE C24 H32 N7 O20 P3 c1c[n+](cc....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1JDJ - CFP C5 H2 Cl F N4 c1[nH]c2c(....
2 1M66 - PLM C16 H32 O2 CCCCCCCCCC....
3 1N1G ic50 = 5 mM BCP C5 H2 Br Cl N4 c1[nH]c2c(....
4 1M67 - PLM C16 H32 O2 CCCCCCCCCC....
5 1N1E - NDE C24 H32 N7 O20 P3 c1c[n+](cc....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1JDJ - CFP C5 H2 Cl F N4 c1[nH]c2c(....
2 1M66 - PLM C16 H32 O2 CCCCCCCCCC....
3 1N1G ic50 = 5 mM BCP C5 H2 Br Cl N4 c1[nH]c2c(....
4 1M67 - PLM C16 H32 O2 CCCCCCCCCC....
5 1N1E - NDE C24 H32 N7 O20 P3 c1c[n+](cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BOA; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 BOA 1 1
2 BCP 0.5 0.697674
3 QX2 0.413043 0.644444
Ligand no: 2; Ligand: PLM; Similar ligands found: 64
No: Ligand ECFP6 Tc MDL keys Tc
1 PLM 1 1
2 STE 1 1
3 MYR 1 1
4 TDA 1 1
5 F23 1 1
6 DAO 1 1
7 X90 1 1
8 DCR 1 1
9 KNA 1 1
10 11A 1 1
11 EW8 1 1
12 F15 1 1
13 DKA 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 ELA 0.71875 0.954545
20 NER 0.71875 0.954545
21 OLA 0.71875 0.954545
22 PAM 0.666667 0.954545
23 VCA 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EOD 0.538462 0.7
35 EIC 0.538462 0.913043
36 BMJ 0.5 0.954545
37 BNV 0.5 0.954545
38 D0G 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 56S 0.459459 0.653846
43 HXD 0.459459 0.807692
44 T4T 0.459459 0.8
45 ODT 0.452381 0.782609
46 3X1 0.444444 0.818182
47 LNL 0.44186 0.826087
48 9J6 0.441176 0.666667
49 OOA 0.441176 0.76
50 CUY 0.435897 0.68
51 CNS 0.435897 0.68
52 6UL 0.435897 0.68
53 5UF 0.432432 0.807692
54 243 0.428571 0.807692
55 EKG 0.418605 0.606061
56 GYM 0.418605 0.606061
57 1QW 0.418605 0.606061
58 OC9 0.413793 0.75
59 PL3 0.413793 0.75
60 F09 0.413793 0.75
61 DE1 0.413793 0.75
62 1DO 0.413793 0.75
63 O8N 0.413793 0.75
64 T25 0.403846 0.677419
Similar Ligands (3D)
Ligand no: 1; Ligand: BOA; Similar ligands found: 1103
No: Ligand Similarity coefficient
1 1XM 1.0000
2 GUN 1.0000
3 9DG 0.9997
4 XAN 0.9971
5 YH7 0.9963
6 A2F 0.9959
7 0CU 0.9956
8 6AP 0.9936
9 AZA 0.9933
10 141 0.9931
11 AZG 0.9915
12 IGA 0.9909
13 290 0.9891
14 6GU 0.9891
15 DX4 0.9889
16 CFP 0.9862
17 PE0 0.9794
18 M6N 0.9785
19 AZ8 0.9784
20 MEW 0.9761
21 HH5 0.9753
22 Q24 0.9752
23 5JQ 0.9746
24 M5K 0.9744
25 AQO 0.9738
26 RM1 0.9726
27 J9W 0.9711
28 AJ2 0.9706
29 BGC 0.9705
30 FDB 0.9698
31 BTY 0.9695
32 URC 0.9695
33 9MG 0.9693
34 75K 0.9687
35 ES9 0.9686
36 XQG 0.9677
37 B55 0.9673
38 4HC 0.9670
39 M1Q 0.9665
40 H4N 0.9662
41 11S 0.9660
42 FK1 0.9660
43 5JL 0.9660
44 HPA 0.9657
45 6AI 0.9652
46 NOJ 0.9651
47 10L 0.9650
48 8TX 0.9640
49 8NY 0.9638
50 7WA 0.9632
51 5MI 0.9632
52 XAZ 0.9631
53 BP1 0.9630
54 1XN 0.9629
55 9HX 0.9627
56 5MB 0.9623
57 7HP 0.9623
58 5Q0 0.9622
59 ADE 0.9622
60 BZX 0.9615
61 6MP 0.9613
62 8IG 0.9601
63 9DA 0.9598
64 M1E 0.9598
65 GLC 0.9597
66 LZM 0.9582
67 1SQ 0.9580
68 I3A 0.9580
69 BTE 0.9578
70 2K4 0.9574
71 5H1 0.9574
72 B53 0.9574
73 G6D 0.9574
74 FYU 0.9565
75 42A 0.9565
76 5IQ 0.9565
77 5OB 0.9564
78 QWW 0.9563
79 F60 0.9563
80 XYP 0.9563
81 14O 0.9562
82 JBH 0.9559
83 JPZ 0.9559
84 6VD 0.9557
85 7B4 0.9556
86 1NP 0.9555
87 BZ3 0.9554
88 5XC 0.9554
89 7HQ 0.9552
90 AHR 0.9550
91 ES4 0.9549
92 SWD 0.9545
93 PM6 0.9542
94 HQY 0.9539
95 5SG 0.9539
96 N5J 0.9535
97 3F0 0.9534
98 JBK 0.9532
99 QBK 0.9531
100 M0Q 0.9528
101 3M0 0.9524
102 0RW 0.9523
103 7VS 0.9522
104 1LQ 0.9522
105 HMH 0.9517
106 4YS 0.9516
107 1LM 0.9513
108 ES1 0.9512
109 G3F 0.9509
110 O72 0.9507
111 S76 0.9507
112 JB5 0.9497
113 DBH 0.9495
114 F05 0.9493
115 1P7 0.9491
116 HJP 0.9489
117 NMJ 0.9488
118 GCS 0.9488
119 9EW 0.9487
120 UAN 0.9486
121 3HA 0.9484
122 ES0 0.9482
123 8S0 0.9482
124 4FS 0.9481
125 Q88 0.9479
126 ADZ 0.9478
127 FE DB1 0.9476
128 2AQ 0.9475
129 SVN 0.9474
130 UNC 0.9474
131 24W 0.9474
132 VK3 0.9472
133 5B1 0.9470
134 35C 0.9469
135 HLZ 0.9467
136 HH8 0.9466
137 1P8 0.9464
138 OXC 0.9464
139 7NI 0.9464
140 NQ 0.9463
141 ES5 0.9462
142 6M9 0.9461
143 ZZ3 0.9461
144 MUA 0.9458
145 03V 0.9457
146 2A7 0.9456
147 EQT 0.9456
148 5WX 0.9456
149 T6C 0.9454
150 COU 0.9450
151 BE2 0.9450
152 ZZT 0.9449
153 M0W 0.9448
154 4XH 0.9447
155 CWM 0.9445
156 DRL 0.9445
157 25W 0.9443
158 D07 0.9442
159 VGD 0.9441
160 LXC 0.9439
161 SAL 0.9437
162 ADK 0.9435
163 5NU 0.9430
164 HMU 0.9429
165 QWN 0.9428
166 RXA 0.9427
167 M1A 0.9423
168 3MA 0.9423
169 GAL 0.9423
170 4SV 0.9421
171 23A 0.9420
172 F9Y 0.9420
173 67N 0.9419
174 MR1 0.9419
175 JIF 0.9418
176 AZ9 0.9417
177 5RG 0.9417
178 OCH 0.9416
179 M1H 0.9412
180 B60 0.9405
181 B57 0.9402
182 DIU 0.9402
183 7W4 0.9401
184 ES6 0.9401
185 DMD 0.9398
186 FOT 0.9398
187 EA1 0.9398
188 3U4 0.9396
189 36R 0.9392
190 CLW 0.9391
191 BRT 0.9389
192 HQD 0.9387
193 3NT 0.9387
194 ORO 0.9386
195 4M0 0.9386
196 12B 0.9385
197 F81 0.9384
198 QXW 0.9383
199 5CU 0.9382
200 DBJ 0.9380
201 BHA 0.9380
202 2D0 0.9379
203 1WD 0.9378
204 4CS 0.9377
205 XHP 0.9376
206 KIB 0.9376
207 KIA 0.9376
208 GIO 0.9372
209 RSF 0.9372
210 GBD 0.9370
211 FA0 0.9369
212 H42 0.9369
213 2AK 0.9368
214 KT7 0.9368
215 C2U 0.9368
216 MAQ 0.9367
217 261 0.9365
218 UEG 0.9365
219 WCE 0.9364
220 3BZ 0.9363
221 XQ0 0.9362
222 3ID 0.9361
223 ES2 0.9360
224 HHA 0.9360
225 82I 0.9360
226 JZ3 0.9359
227 FUL 0.9359
228 IJZ 0.9357
229 ET2 0.9355
230 44W 0.9355
231 NDM 0.9354
232 495 0.9354
233 F5B 0.9351
234 AW5 0.9350
235 TDR 0.9350
236 JKE 0.9349
237 42C 0.9348
238 Q6T 0.9348
239 R8S 0.9347
240 MT0 0.9346
241 OTW 0.9343
242 8GC 0.9341
243 AKH 0.9340
244 54G 0.9340
245 MO8 0.9339
246 0W8 0.9338
247 GTQ 0.9336
248 24B 0.9336
249 8H8 0.9335
250 TEP 0.9335
251 FP1 0.9334
252 BR8 0.9334
253 SX1 0.9331
254 2EC 0.9331
255 34D 0.9330
256 DOB 0.9330
257 6UA 0.9327
258 HZQ 0.9326
259 OVV 0.9325
260 2DR 0.9325
261 7WV 0.9324
262 5M0 0.9324
263 XXR 0.9324
264 2ZQ 0.9323
265 IND 0.9321
266 3AB 0.9320
267 5MK 0.9319
268 R8V 0.9317
269 QPR 0.9316
270 5RN 0.9316
271 7MH 0.9315
272 P3K 0.9315
273 0R0 0.9313
274 VNL 0.9313
275 6M4 0.9312
276 EXO 0.9312
277 GAB 0.9311
278 DOR 0.9310
279 13X 0.9310
280 GAG 0.9304
281 5HN 0.9303
282 6CS 0.9301
283 ASO 0.9300
284 BZI 0.9299
285 5ZE 0.9299
286 KKN 0.9298
287 3AY 0.9298
288 5WV 0.9295
289 3HB 0.9294
290 44V 0.9294
291 2FG 0.9293
292 37T 0.9292
293 2ZV 0.9291
294 7ZE 0.9290
295 PXL 0.9290
296 AX2 0.9290
297 JA8 0.9289
298 TSS 0.9287
299 ISN 0.9286
300 2H5 0.9286
301 JBQ 0.9285
302 5VM 0.9284
303 GRE 0.9283
304 3DM 0.9283
305 URF 0.9283
306 6F0 0.9282
307 OVM 0.9280
308 0CT 0.9280
309 GVH 0.9280
310 PRZ 0.9280
311 G5V 0.9279
312 B62 0.9278
313 4MU 0.9277
314 QX4 0.9276
315 1DW 0.9275
316 DQU 0.9274
317 0P6 0.9274
318 2ZX 0.9272
319 BZF 0.9271
320 5UC 0.9271
321 OXQ 0.9270
322 MPI 0.9269
323 4JP 0.9269
324 680 0.9268
325 YSO 0.9268
326 KJY 0.9268
327 0R1 0.9266
328 QUZ 0.9265
329 5WY 0.9265
330 39A 0.9263
331 3MB 0.9263
332 2HQ 0.9263
333 5AN 0.9262
334 ICP 0.9260
335 CTS 0.9258
336 0N7 0.9257
337 F12 0.9256
338 LSA 0.9256
339 JFD 0.9256
340 DEN 0.9253
341 ISE 0.9252
342 WBU 0.9251
343 LZ1 0.9249
344 TBP 0.9249
345 TBS 0.9247
346 0JD 0.9247
347 NTM 0.9247
348 TH0 0.9245
349 NSP 0.9245
350 GLA 0.9244
351 NK 0.9243
352 7W1 0.9242
353 WDL 0.9240
354 ES7 0.9239
355 8CM 0.9238
356 INE 0.9237
357 K17 0.9237
358 4ME 0.9237
359 NPY 0.9236
360 3WA 0.9235
361 60P 0.9233
362 IUR 0.9232
363 4AA 0.9231
364 286 0.9230
365 SHG 0.9230
366 1WG 0.9227
367 A7W 0.9227
368 4ZC 0.9226
369 LGC 0.9226
370 NID 0.9225
371 MVN 0.9225
372 ICO 0.9223
373 43M 0.9223
374 4JO 0.9222
375 F0J 0.9219
376 32X 0.9218
377 MCT 0.9214
378 PFB 0.9213
379 II6 0.9213
380 TH7 0.9212
381 PYQ 0.9210
382 4JT 0.9210
383 0FO 0.9210
384 ERH 0.9210
385 2AL 0.9210
386 HY3 0.9209
387 2CQ 0.9208
388 5AC 0.9207
389 CWS 0.9207
390 TTL 0.9203
391 IFL 0.9201
392 8ZE 0.9201
393 1MC 0.9200
394 DIE 0.9200
395 4CL 0.9199
396 DFB 0.9197
397 KYD 0.9196
398 D1X 0.9194
399 1PT 0.9194
400 N2I 0.9192
401 HLR 0.9191
402 12Q 0.9191
403 47J 0.9191
404 149 0.9191
405 PYD 0.9190
406 86J 0.9190
407 JZ9 0.9190
408 6M1 0.9187
409 9TZ 0.9184
410 K2T 0.9183
411 3MG 0.9182
412 PHT 0.9180
413 A13 0.9180
414 2MP 0.9179
415 6MH 0.9179
416 BMA 0.9179
417 CWJ 0.9178
418 IDM 0.9177
419 KDV 0.9177
420 270 0.9174
421 XYS 0.9174
422 53C 0.9173
423 45C 0.9172
424 FCB 0.9172
425 GIV 0.9172
426 275 0.9170
427 RPQ 0.9169
428 EV0 0.9168
429 INS 0.9167
430 KJH 0.9165
431 3RK 0.9165
432 KYA 0.9164
433 5JC 0.9163
434 CFF 0.9163
435 DHQ 0.9163
436 5QX 0.9162
437 MWM 0.9161
438 4HO 0.9161
439 MBD 0.9161
440 PYG 0.9161
441 BBF 0.9161
442 34A 0.9159
443 ABV 0.9158
444 K8X 0.9158
445 CTL 0.9158
446 MBG 0.9158
447 FBB 0.9151
448 4ZE 0.9151
449 2CK 0.9150
450 TM7 0.9147
451 WOO 0.9146
452 3CE 0.9145
453 XYD 0.9144
454 MZG 0.9144
455 NCA 0.9144
456 3XX 0.9143
457 GYE 0.9143
458 X09 0.9142
459 3FA 0.9142
460 G3E 0.9142
461 MRW 0.9141
462 27Y 0.9141
463 MWJ 0.9140
464 BEN 0.9138
465 5MH 0.9137
466 150 0.9136
467 BCF 0.9136
468 4JJ 0.9135
469 BR9 0.9134
470 0TR 0.9133
471 NBZ 0.9133
472 IV2 0.9132
473 E7Z 0.9129
474 2AC 0.9129
475 JZ2 0.9129
476 3Z7 0.9129
477 SHA 0.9129
478 3SK 0.9127
479 ODO 0.9127
480 FFP 0.9126
481 KUF 0.9126
482 6ME 0.9126
483 284 0.9126
484 2MY 0.9125
485 7CZ 0.9125
486 4HM 0.9125
487 MFB 0.9124
488 GMN 0.9123
489 A1U 0.9122
490 HQT 0.9122
491 XBZ 0.9120
492 7VJ 0.9119
493 YCP 0.9119
494 V55 0.9118
495 6PC 0.9118
496 FUC 0.9118
497 329 0.9117
498 2C9 0.9117
499 2CM 0.9117
500 P92 0.9116
501 DIN 0.9115
502 X05 0.9115
503 PXM 0.9115
504 IFM 0.9115
505 OW4 0.9112
506 AX7 0.9110
507 VNJ 0.9110
508 IBF 0.9110
509 HFB 0.9110
510 3MC 0.9107
511 BEZ 0.9106
512 L3Q 0.9104
513 DUB 0.9103
514 M2K 0.9103
515 IDH 0.9103
516 FLM 0.9101
517 SKA 0.9099
518 AZF 0.9096
519 14J 0.9095
520 SWA 0.9095
521 G1O 0.9093
522 1GN 0.9093
523 DHK 0.9092
524 URQ 0.9092
525 2MI 0.9090
526 SYV 0.9089
527 PHH 0.9089
528 1P3 0.9088
529 NIO 0.9088
530 LKA 0.9088
531 RNS 0.9086
532 4XR 0.9086
533 PQ0 0.9085
534 KLW 0.9085
535 7B3 0.9085
536 BK9 0.9085
537 FBG 0.9083
538 PRF 0.9082
539 51R 0.9081
540 2A9 0.9080
541 12M 0.9079
542 MS9 0.9077
543 R8A 0.9077
544 2BG 0.9076
545 PDC 0.9076
546 ARB 0.9076
547 3ZQ 0.9075
548 9KT 0.9074
549 APZ 0.9073
550 QOS 0.9073
551 TCZ 0.9073
552 94W 0.9072
553 JUG 0.9072
554 3DO 0.9072
555 TFU 0.9072
556 92K 0.9071
557 P9P 0.9071
558 IPZ 0.9070
559 CRS 0.9069
560 RAM 0.9069
561 SJ5 0.9068
562 FPY 0.9066
563 BHO 0.9065
564 ZVO 0.9063
565 2ZM 0.9062
566 ABI 0.9062
567 1F1 0.9062
568 KJU 0.9062
569 2YU 0.9061
570 OXZ 0.9061
571 7ME 0.9060
572 J5I 0.9060
573 6NT 0.9060
574 BAM 0.9060
575 RM4 0.9059
576 GXY 0.9057
577 PZA 0.9056
578 3NY 0.9054
579 OVP 0.9053
580 2HU 0.9052
581 RCO 0.9052
582 3PF 0.9051
583 3Z8 0.9050
584 5GU 0.9050
585 QAT 0.9049
586 9R5 0.9047
587 CYT 0.9046
588 8WO 0.9044
589 URA 0.9044
590 XIY 0.9040
591 5QY 0.9040
592 JB8 0.9039
593 B3R 0.9039
594 2LP 0.9036
595 FUF 0.9036
596 MAN 0.9035
597 SE2 0.9033
598 N8Y 0.9033
599 AJV 0.9033
600 D48 0.9033
601 VGL 0.9032
602 3FH 0.9032
603 HT4 0.9031
604 G2F 0.9031
605 AIN 0.9029
606 0HN 0.9028
607 JBE 0.9028
608 TLD 0.9027
609 GDE 0.9027
610 GCU 0.9027
611 ZWZ 0.9026
612 JDN 0.9025
613 GJS 0.9023
614 ALL 0.9023
615 5NI 0.9022
616 3CH 0.9022
617 LG3 0.9022
618 3MH 0.9020
619 0HO 0.9019
620 BEA 0.9019
621 KOJ 0.9019
622 FGZ 0.9018
623 TWO 0.9015
624 26D 0.9015
625 H33 0.9014
626 QSH 0.9014
627 BSX 0.9013
628 FQI 0.9012
629 FRU 0.9012
630 HGQ 0.9011
631 LG5 0.9010
632 BVF 0.9010
633 AUD 0.9010
634 NPO 0.9009
635 3IT 0.9008
636 LI6 0.9007
637 RIP 0.9007
638 6NI 0.9006
639 HHQ 0.9005
640 GOG 0.9003
641 LCN 0.9002
642 0MK 0.9001
643 GM7 0.9000
644 IPB 0.9000
645 TOF 0.8999
646 VOH 0.8999
647 4YO 0.8999
648 BSP 0.8998
649 RIB 0.8997
650 40O 0.8995
651 209 0.8994
652 MQN 0.8994
653 UNU 0.8994
654 NTZ 0.8994
655 GIF 0.8993
656 3OC 0.8992
657 TC7 0.8991
658 HEW 0.8991
659 4XV 0.8990
660 ZZ8 0.8990
661 QAS 0.8990
662 NOY 0.8990
663 3A9 0.8989
664 RHU 0.8988
665 HBA 0.8987
666 YQA 0.8987
667 JAW 0.8985
668 6RQ 0.8984
669 0TU 0.8984
670 Z5P 0.8984
671 BDP 0.8984
672 EUG 0.8980
673 J9Q 0.8978
674 FPK 0.8977
675 92Z 0.8976
676 5CL 0.8975
677 F4Z 0.8974
678 M3T 0.8973
679 7WR 0.8973
680 15L 0.8972
681 SXS 0.8970
682 2MN 0.8968
683 CLZ 0.8968
684 5RO 0.8968
685 8WT 0.8967
686 SOE 0.8967
687 QSB 0.8966
688 GAF 0.8966
689 MYJ 0.8965
690 2FQ 0.8962
691 4JQ 0.8962
692 DPZ 0.8961
693 3R6 0.8959
694 JZ1 0.8958
695 KBG 0.8957
696 4Z4 0.8957
697 C2A 0.8957
698 AS3 0.8956
699 L89 0.8956
700 F3B 0.8955
701 NTN 0.8954
702 8GF 0.8954
703 HNQ 0.8954
704 INO 0.8953
705 4TU 0.8952
706 7MU 0.8952
707 GZ8 0.8952
708 K32 0.8952
709 TTY 0.8952
710 94N 0.8951
711 2FY 0.8950
712 DQN 0.8950
713 K5W 0.8950
714 EYK 0.8949
715 HLD 0.8948
716 EVA 0.8948
717 XX2 0.8947
718 4NC 0.8947
719 CAQ 0.8947
720 X6X 0.8947
721 97T 0.8946
722 MWP 0.8946
723 IP0 0.8945
724 URP 0.8945
725 HXX 0.8944
726 JTH 0.8944
727 OAA 0.8944
728 BCU 0.8943
729 HA5 0.8943
730 1M2 0.8941
731 DMJ 0.8940
732 OA3 0.8940
733 LT2 0.8939
734 Z82 0.8938
735 PAF 0.8937
736 OMD 0.8937
737 Y8I 0.8936
738 4H2 0.8936
739 G4D 0.8936
740 GTZ 0.8935
741 H76 0.8935
742 FBV 0.8934
743 K3Q 0.8932
744 4FA 0.8931
745 TIU 0.8930
746 DHB 0.8929
747 PHB 0.8928
748 OXE 0.8926
749 J9T 0.8926
750 3HM 0.8923
751 PCI 0.8922
752 O2A 0.8922
753 20J 0.8922
754 DUC 0.8922
755 FB1 0.8921
756 FCA 0.8919
757 K22 0.8918
758 4M4 0.8917
759 GIM 0.8917
760 K6X 0.8916
761 64K 0.8916
762 DFU 0.8915
763 JZ0 0.8912
764 BDF 0.8912
765 I1N 0.8912
766 GCB 0.8912
767 CIG 0.8911
768 938 0.8911
769 ABE 0.8910
770 4VP 0.8909
771 YIO 0.8908
772 FBT 0.8907
773 AGK 0.8907
774 HX3 0.8907
775 DBX 0.8906
776 E1T 0.8905
777 JXN 0.8905
778 GXL 0.8905
779 NVU 0.8905
780 AX3 0.8905
781 9TW 0.8902
782 BEW 0.8902
783 H3M 0.8902
784 CHB 0.8901
785 XM0 0.8900
786 NDH 0.8900
787 93K 0.8900
788 0GZ 0.8899
789 GTL 0.8898
790 PNZ 0.8898
791 AEZ 0.8896
792 PD2 0.8895
793 IHB 0.8895
794 MNM 0.8895
795 N7P 0.8895
796 8LG 0.8891
797 PX7 0.8891
798 SR1 0.8891
799 QSC 0.8890
800 GOO 0.8890
801 4A3 0.8889
802 282 0.8889
803 15N 0.8887
804 76X 0.8886
805 PAB 0.8886
806 FHB 0.8885
807 GTR 0.8885
808 AFR 0.8884
809 6X8 0.8884
810 E5X 0.8884
811 2AF 0.8883
812 DGJ 0.8883
813 SF9 0.8883
814 173 0.8880
815 1AN 0.8879
816 2CH 0.8878
817 DNC 0.8877
818 4XS 0.8877
819 93Q 0.8877
820 Q7A 0.8877
821 2HO 0.8876
822 FP2 0.8876
823 92P 0.8875
824 0FN 0.8875
825 174 0.8873
826 2F6 0.8871
827 717 0.8870
828 J1Z 0.8870
829 GOX 0.8867
830 SRO 0.8866
831 4PW 0.8866
832 6LW 0.8864
833 FBW 0.8864
834 GZL 0.8864
835 ISZ 0.8860
836 PRY 0.8860
837 PEY 0.8859
838 XCZ 0.8859
839 B2J 0.8859
840 ARA 0.8857
841 NNO 0.8856
842 8G0 0.8856
843 5NE 0.8855
844 PKU 0.8853
845 HA7 0.8853
846 C2Y 0.8852
847 FDK 0.8852
848 SKM 0.8850
849 PFL 0.8850
850 280 0.8850
851 HTS 0.8849
852 SS1 0.8849
853 8XQ 0.8848
854 XBT 0.8847
855 GLY PRO 0.8846
856 DNF 0.8844
857 XUL 0.8844
858 PBC 0.8842
859 MVL 0.8841
860 B5D 0.8840
861 PA1 0.8840
862 N8P 0.8840
863 SOR 0.8838
864 JAE 0.8837
865 285 0.8835
866 2LY 0.8834
867 23W 0.8833
868 JXW 0.8833
869 9TY 0.8831
870 FBU 0.8830
871 X8D 0.8830
872 YTB 0.8828
873 V6F 0.8828
874 HIS 0.8827
875 KBB 0.8825
876 Q71 0.8824
877 GV9 0.8823
878 SYA 0.8823
879 2XX 0.8821
880 0LH 0.8820
881 NGO 0.8819
882 W81 0.8817
883 FH2 0.8815
884 HBD 0.8814
885 JKZ 0.8814
886 ENL 0.8814
887 MZB 0.8814
888 YAN 0.8813
889 ASC 0.8813
890 FHN 0.8812
891 KPL 0.8812
892 6OT 0.8811
893 AC0 0.8811
894 AMG 0.8811
895 F31 0.8810
896 CIZ 0.8810
897 5WU 0.8809
898 JLZ 0.8807
899 ANN 0.8807
900 0F9 0.8806
901 R9Y 0.8806
902 4JM 0.8803
903 KFH 0.8802
904 NCD 0.8801
905 FSW 0.8800
906 4KL 0.8799
907 1Y6 0.8799
908 PCA 0.8798
909 PZI 0.8798
910 SW7 0.8797
911 JZ4 0.8797
912 4MA 0.8795
913 MFU 0.8795
914 3BU 0.8794
915 GLT 0.8793
916 2MH 0.8793
917 1X7 0.8792
918 MSN 0.8792
919 PBZ 0.8791
920 MLT 0.8791
921 GLF 0.8790
922 LMR 0.8790
923 9FL 0.8787
924 P72 0.8785
925 I6G 0.8785
926 1XX 0.8785
927 826 0.8784
928 DHR 0.8782
929 1DV 0.8780
930 OTD 0.8780
931 9FE 0.8779
932 MJ2 0.8778
933 NEQ 0.8778
934 TM4 0.8776
935 PQK 0.8775
936 6BL 0.8774
937 JND 0.8774
938 ZBT 0.8772
939 F1A 0.8771
940 LDP 0.8771
941 4JU 0.8771
942 GCO 0.8770
943 PYC 0.8769
944 LG4 0.8766
945 KIV 0.8763
946 LRH 0.8760
947 EMZ 0.8760
948 WOT 0.8760
949 NIZ 0.8759
950 GT0 0.8757
951 EJZ 0.8757
952 IFP 0.8757
953 PH2 0.8757
954 IUP 0.8756
955 HTP 0.8755
956 52C 0.8752
957 PCR 0.8751
958 9ZE 0.8750
959 EKZ 0.8750
960 DNA 0.8749
961 948 0.8748
962 IAC 0.8748
963 23J 0.8744
964 SRT 0.8744
965 PLQ 0.8743
966 DEE 0.8743
967 FOA 0.8742
968 PBE 0.8741
969 RB5 0.8739
970 260 0.8737
971 A65 0.8737
972 SFU 0.8736
973 1LN 0.8736
974 JU2 0.8735
975 1U6 0.8734
976 RD4 0.8734
977 39U 0.8733
978 ARW 0.8732
979 TT4 0.8732
980 IT2 0.8731
981 CFI 0.8730
982 4HS 0.8729
983 SYN 0.8729
984 2PC 0.8729
985 HQE 0.8728
986 FPN 0.8728
987 MHK 0.8728
988 ECE 0.8725
989 BML 0.8722
990 259 0.8722
991 PXY 0.8721
992 TGX 0.8720
993 MAK 0.8720
994 HHR 0.8720
995 226 0.8719
996 DA1 0.8716
997 4XX 0.8716
998 9CA 0.8715
999 IF7 0.8715
1000 H8N 0.8714
1001 HBX 0.8714
1002 8GK 0.8713
1003 LYL 0.8712
1004 H5B 0.8711
1005 ADA 0.8710
1006 J01 0.8710
1007 7MX 0.8709
1008 HPY 0.8709
1009 FDR 0.8707
1010 AEF 0.8705
1011 PY7 0.8705
1012 091 0.8705
1013 TP5 0.8701
1014 8OZ 0.8701
1015 MT5 0.8700
1016 9AP 0.8700
1017 ZZZ 0.8700
1018 4CH 0.8698
1019 KP6 0.8698
1020 60Q 0.8697
1021 PYF 0.8697
1022 MMA 0.8695
1023 FLV 0.8694
1024 25R 0.8692
1025 UFV 0.8691
1026 RMN 0.8691
1027 CN0 0.8690
1028 4JN 0.8689
1029 ABN 0.8689
1030 DA4 0.8685
1031 1AL 0.8683
1032 M4E 0.8681
1033 FBM 0.8680
1034 15E 0.8678
1035 ICC 0.8678
1036 LDR 0.8677
1037 FAN 0.8676
1038 CKA 0.8674
1039 7D2 0.8673
1040 069 0.8670
1041 DYA 0.8666
1042 6HQ 0.8664
1043 SLS 0.8664
1044 BNT 0.8663
1045 AC6 0.8662
1046 NSG 0.8661
1047 HQJ 0.8661
1048 NLA 0.8661
1049 PRO 0.8661
1050 JBN 0.8661
1051 OW7 0.8660
1052 IOL 0.8660
1053 TAR 0.8656
1054 1U1 0.8654
1055 4FH 0.8649
1056 06B 0.8644
1057 C21 0.8642
1058 M5N 0.8642
1059 4P5 0.8641
1060 YRL 0.8640
1061 3AL 0.8640
1062 FBA 0.8640
1063 TMZ 0.8637
1064 SF6 0.8637
1065 TMT 0.8636
1066 GJP 0.8635
1067 TZC 0.8635
1068 ONR 0.8633
1069 0FK 0.8631
1070 1IT 0.8631
1071 XYL 0.8630
1072 4VS 0.8629
1073 BPU 0.8628
1074 E3D 0.8626
1075 8W9 0.8622
1076 UFO 0.8622
1077 8HC 0.8620
1078 4JL 0.8617
1079 TSU 0.8616
1080 ARP 0.8615
1081 NGT 0.8613
1082 265 0.8610
1083 X0V 0.8609
1084 FCR 0.8608
1085 R2B 0.8608
1086 TLA 0.8603
1087 5NS 0.8603
1088 293 0.8603
1089 1MR 0.8600
1090 HIO 0.8599
1091 NBE 0.8598
1092 CRN 0.8598
1093 APS 0.8596
1094 FA3 0.8596
1095 6KT 0.8595
1096 AH8 0.8578
1097 FUB 0.8573
1098 K97 0.8573
1099 7N0 0.8572
1100 H7Y 0.8570
1101 AA 0.8568
1102 HKD 0.8550
1103 PBR 0.8549
Ligand no: 2; Ligand: PLM; Similar ligands found: 6
No: Ligand Similarity coefficient
1 16A 0.9171
2 O4B 0.9104
3 SP5 0.8963
4 EPA 0.8948
5 SSV 0.8891
6 ACA ACA 0.8666
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1N1G; Ligand: BCP; 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: 1n1g.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1N1G; Ligand: BCP; 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: 1n1g.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1N1G; Ligand: BCP; 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: 1n1g.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1N1G; Ligand: BCP; 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: 1n1g.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1N1G; Ligand: BCP; 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: 1n1g.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1N1G; Ligand: BCP; 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: 1n1g.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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