Receptor
PDB id Resolution Class Description Source Keywords
1M66 1.9 Å EC: 1.1.1.8 CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GPDH COMPLEXED WITH 2-BROMO-6-CHLORO-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
BCP A:401;
Valid;
none;
submit data
233.453 C5 H2 Br Cl N4 c1[nH...
PLM A:402;
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: BCP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 BCP 1 1
2 BOA 0.5 0.697674
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: BCP; Similar ligands found: 1068
No: Ligand Similarity coefficient
1 0CU 0.9998
2 1XM 0.9969
3 GUN 0.9969
4 DX4 0.9961
5 9DG 0.9957
6 YH7 0.9952
7 XAN 0.9944
8 A2F 0.9931
9 6GU 0.9929
10 290 0.9910
11 HH5 0.9899
12 CFP 0.9899
13 141 0.9888
14 AZA 0.9875
15 IGA 0.9862
16 6AP 0.9856
17 AZG 0.9854
18 M5K 0.9754
19 M6N 0.9751
20 PE0 0.9727
21 Q24 0.9726
22 MEW 0.9714
23 AJ2 0.9705
24 AZ8 0.9697
25 AQO 0.9691
26 9MG 0.9671
27 5JQ 0.9662
28 QWW 0.9659
29 6MP 0.9657
30 J9W 0.9652
31 URC 0.9646
32 BGC 0.9646
33 4HC 0.9627
34 QX2 0.9625
35 NOJ 0.9624
36 ES9 0.9618
37 75K 0.9618
38 HPA 0.9618
39 10L 0.9615
40 BP1 0.9613
41 1XN 0.9608
42 FK1 0.9608
43 7WA 0.9606
44 PM6 0.9605
45 H4N 0.9603
46 B55 0.9603
47 5Q0 0.9599
48 ES4 0.9598
49 FDB 0.9596
50 ADE 0.9594
51 4XH 0.9593
52 RM1 0.9592
53 XAZ 0.9591
54 SWD 0.9591
55 11S 0.9590
56 HH8 0.9590
57 5MI 0.9583
58 BZX 0.9579
59 5IQ 0.9577
60 9DA 0.9576
61 7HP 0.9576
62 5H1 0.9574
63 HQY 0.9573
64 5JL 0.9571
65 6AI 0.9570
66 5MB 0.9570
67 9HX 0.9567
68 14O 0.9566
69 GLC 0.9564
70 5SG 0.9562
71 8NY 0.9562
72 8TX 0.9560
73 BTE 0.9548
74 ES1 0.9543
75 1LM 0.9542
76 FYU 0.9536
77 BTY 0.9535
78 G6D 0.9533
79 XQG 0.9532
80 N5J 0.9528
81 1NP 0.9526
82 2K4 0.9520
83 F60 0.9519
84 1SQ 0.9510
85 35C 0.9508
86 BZ3 0.9505
87 EQT 0.9502
88 QBK 0.9492
89 ES0 0.9488
90 42A 0.9487
91 AHR 0.9487
92 4YS 0.9485
93 1LQ 0.9483
94 2AK 0.9482
95 LZM 0.9482
96 C2U 0.9480
97 5OB 0.9479
98 DIU 0.9476
99 8IG 0.9472
100 6VD 0.9465
101 GCS 0.9464
102 1P7 0.9463
103 CWM 0.9462
104 NMJ 0.9457
105 M1Q 0.9450
106 D07 0.9450
107 5B1 0.9447
108 I3A 0.9446
109 T6C 0.9445
110 UEG 0.9444
111 Q88 0.9441
112 JPZ 0.9439
113 SAL 0.9439
114 5XC 0.9431
115 2D0 0.9431
116 UAN 0.9430
117 DRL 0.9427
118 2AQ 0.9425
119 JB5 0.9425
120 VGD 0.9423
121 7HQ 0.9421
122 3F0 0.9416
123 4FS 0.9415
124 2A7 0.9413
125 7W4 0.9412
126 ZZT 0.9409
127 1WD 0.9408
128 VK3 0.9406
129 03V 0.9406
130 OXC 0.9406
131 3M0 0.9406
132 G3F 0.9406
133 UNC 0.9405
134 ES5 0.9405
135 JBK 0.9402
136 B53 0.9400
137 0RW 0.9400
138 HJP 0.9400
139 9EW 0.9398
140 MR1 0.9397
141 QWN 0.9396
142 F05 0.9395
143 B60 0.9394
144 25W 0.9394
145 3HA 0.9392
146 COU 0.9391
147 H42 0.9391
148 S76 0.9388
149 NQ 0.9387
150 KKN 0.9387
151 7B4 0.9387
152 HLZ 0.9385
153 0W8 0.9384
154 OCH 0.9382
155 24W 0.9380
156 7WV 0.9379
157 JKE 0.9379
158 CLW 0.9377
159 F9Y 0.9375
160 ZZ3 0.9375
161 67N 0.9374
162 36R 0.9374
163 FOT 0.9374
164 VNL 0.9372
165 8S0 0.9371
166 IJZ 0.9370
167 1P8 0.9370
168 MT0 0.9369
169 DBH 0.9368
170 6M9 0.9366
171 ORO 0.9365
172 M1A 0.9362
173 SVN 0.9360
174 QXW 0.9360
175 LXC 0.9359
176 HMU 0.9358
177 MUA 0.9357
178 5WX 0.9357
179 KIB 0.9355
180 GAL 0.9351
181 ADK 0.9347
182 XYP 0.9347
183 OTW 0.9341
184 7VS 0.9340
185 JAE 0.9340
186 AW5 0.9338
187 FE DB1 0.9337
188 FP1 0.9337
189 KT7 0.9336
190 M0Q 0.9335
191 7MH 0.9335
192 TBP 0.9334
193 3MA 0.9334
194 MO8 0.9334
195 8H8 0.9331
196 5WV 0.9331
197 DMD 0.9331
198 ADZ 0.9328
199 MAQ 0.9325
200 4MU 0.9325
201 7NI 0.9325
202 12B 0.9324
203 495 0.9323
204 FUL 0.9323
205 261 0.9322
206 HZQ 0.9320
207 82I 0.9320
208 HMH 0.9320
209 4SV 0.9319
210 F5B 0.9319
211 3NT 0.9319
212 ISN 0.9317
213 680 0.9316
214 O72 0.9316
215 PXL 0.9315
216 ES2 0.9313
217 RXA 0.9313
218 KIA 0.9312
219 XHP 0.9311
220 JZ3 0.9311
221 3U4 0.9307
222 ES7 0.9305
223 ET2 0.9303
224 BE2 0.9300
225 5RG 0.9300
226 HQD 0.9299
227 5VM 0.9299
228 R8V 0.9299
229 AZ9 0.9295
230 34D 0.9292
231 TH7 0.9292
232 GAB 0.9292
233 DBJ 0.9290
234 XQ0 0.9286
235 GVH 0.9284
236 3ID 0.9282
237 ES6 0.9282
238 K17 0.9282
239 B57 0.9280
240 KJY 0.9280
241 NDM 0.9276
242 DEN 0.9276
243 TBS 0.9274
244 M1E 0.9274
245 5NU 0.9273
246 IND 0.9271
247 2DR 0.9269
248 QPR 0.9267
249 3MG 0.9265
250 MPI 0.9264
251 4JP 0.9264
252 M0W 0.9262
253 YSO 0.9260
254 LZ1 0.9260
255 0R1 0.9259
256 24B 0.9259
257 5UC 0.9254
258 BZI 0.9253
259 0CT 0.9252
260 TDR 0.9252
261 BR8 0.9252
262 0P6 0.9250
263 43M 0.9249
264 13X 0.9249
265 AX2 0.9249
266 RSF 0.9249
267 44W 0.9248
268 0R0 0.9248
269 R8S 0.9248
270 23A 0.9247
271 3WA 0.9247
272 DOR 0.9247
273 5CU 0.9246
274 GBD 0.9244
275 4M0 0.9243
276 TH0 0.9242
277 MVN 0.9241
278 QUZ 0.9240
279 F0J 0.9240
280 PRZ 0.9238
281 WBU 0.9235
282 BZF 0.9235
283 FA0 0.9234
284 DOB 0.9234
285 GLA 0.9233
286 4JO 0.9232
287 BRT 0.9231
288 DQU 0.9230
289 ASO 0.9230
290 K8X 0.9230
291 BHA 0.9229
292 42C 0.9229
293 M1H 0.9224
294 JA8 0.9223
295 2HQ 0.9223
296 2ZV 0.9222
297 OVV 0.9222
298 QX4 0.9222
299 F81 0.9221
300 WCE 0.9220
301 JIF 0.9220
302 TEP 0.9220
303 2FG 0.9219
304 IUR 0.9217
305 3BZ 0.9214
306 Q6T 0.9214
307 2EC 0.9214
308 ISE 0.9211
309 4JT 0.9210
310 4ZE 0.9210
311 AKH 0.9208
312 5M0 0.9207
313 5AN 0.9207
314 NK 0.9204
315 1MC 0.9204
316 JBQ 0.9203
317 EA1 0.9203
318 IDM 0.9203
319 5RN 0.9203
320 7W1 0.9202
321 NPY 0.9201
322 37T 0.9201
323 HHA 0.9200
324 3HB 0.9199
325 2MP 0.9198
326 OXQ 0.9197
327 P3K 0.9197
328 2ZQ 0.9196
329 URF 0.9196
330 GIO 0.9195
331 286 0.9192
332 MCT 0.9191
333 8ZE 0.9191
334 6M4 0.9190
335 PYD 0.9188
336 ICP 0.9188
337 60P 0.9186
338 4HO 0.9185
339 6UA 0.9185
340 7VJ 0.9185
341 8CM 0.9180
342 2CQ 0.9180
343 3Z7 0.9178
344 0JD 0.9178
345 5HN 0.9177
346 GRE 0.9177
347 329 0.9176
348 3AB 0.9175
349 V55 0.9175
350 3DM 0.9175
351 GAG 0.9174
352 ABV 0.9171
353 39A 0.9171
354 B62 0.9170
355 0FO 0.9170
356 ERH 0.9170
357 275 0.9169
358 A7W 0.9166
359 ICO 0.9166
360 54G 0.9165
361 6F0 0.9164
362 SHG 0.9164
363 MWM 0.9163
364 8GC 0.9163
365 6CS 0.9162
366 2H5 0.9162
367 CWS 0.9161
368 LSA 0.9161
369 PHT 0.9158
370 3RK 0.9157
371 1WG 0.9156
372 TTL 0.9156
373 7ZE 0.9155
374 RM4 0.9155
375 MZG 0.9154
376 N2I 0.9154
377 12Q 0.9153
378 XXR 0.9153
379 34A 0.9152
380 SX1 0.9152
381 OVM 0.9152
382 47J 0.9152
383 XYD 0.9151
384 CTS 0.9151
385 5WY 0.9151
386 45C 0.9150
387 JZ9 0.9150
388 6M1 0.9150
389 3XX 0.9150
390 II6 0.9150
391 2ZX 0.9149
392 SWA 0.9149
393 3MB 0.9148
394 4CL 0.9147
395 WDL 0.9146
396 K2T 0.9145
397 1PT 0.9144
398 86J 0.9143
399 4ME 0.9143
400 5MK 0.9142
401 TSS 0.9142
402 D1X 0.9141
403 5JC 0.9141
404 XBZ 0.9140
405 2AC 0.9140
406 HQT 0.9139
407 KUF 0.9137
408 GTQ 0.9136
409 270 0.9136
410 0N7 0.9135
411 HT4 0.9134
412 HLR 0.9134
413 M2H 0.9134
414 NTM 0.9133
415 MWJ 0.9132
416 FCB 0.9132
417 LGC 0.9131
418 PHH 0.9130
419 27Y 0.9130
420 5MH 0.9129
421 KYD 0.9126
422 G5V 0.9125
423 2BG 0.9125
424 3AY 0.9125
425 150 0.9124
426 CFF 0.9124
427 5ZE 0.9123
428 BEN 0.9121
429 SKA 0.9121
430 KOJ 0.9121
431 1DW 0.9120
432 149 0.9120
433 FBB 0.9119
434 14J 0.9118
435 IFL 0.9118
436 KYA 0.9117
437 4AA 0.9116
438 3SK 0.9116
439 5QX 0.9115
440 INE 0.9114
441 A1U 0.9113
442 9TZ 0.9113
443 INS 0.9113
444 DFB 0.9111
445 JFD 0.9108
446 DIN 0.9107
447 TM7 0.9106
448 2CK 0.9106
449 32X 0.9104
450 NCA 0.9104
451 FUC 0.9101
452 TCZ 0.9100
453 TLD 0.9099
454 2AL 0.9097
455 MFB 0.9096
456 BMA 0.9096
457 717 0.9095
458 AX7 0.9094
459 TWO 0.9094
460 BEZ 0.9094
461 NID 0.9092
462 KJH 0.9091
463 6ME 0.9091
464 XYS 0.9091
465 NSP 0.9090
466 QSH 0.9089
467 51R 0.9089
468 JZ2 0.9083
469 4JJ 0.9080
470 2MI 0.9080
471 CWJ 0.9078
472 BR9 0.9078
473 EXO 0.9078
474 BBF 0.9077
475 MBD 0.9075
476 RNS 0.9075
477 4ZC 0.9074
478 PYG 0.9074
479 KDV 0.9073
480 284 0.9072
481 4CS 0.9070
482 X09 0.9070
483 44V 0.9070
484 JBE 0.9069
485 SYV 0.9069
486 GIV 0.9069
487 PFB 0.9068
488 2C9 0.9066
489 IDH 0.9066
490 PXM 0.9064
491 IPZ 0.9064
492 MRW 0.9063
493 BSP 0.9063
494 G3E 0.9062
495 MBG 0.9062
496 12M 0.9060
497 IV2 0.9056
498 GXY 0.9055
499 F12 0.9054
500 E7Z 0.9052
501 7ME 0.9052
502 2YU 0.9052
503 XIY 0.9052
504 BAM 0.9052
505 BCF 0.9049
506 3FA 0.9049
507 PYQ 0.9048
508 FGZ 0.9047
509 DIE 0.9047
510 IBF 0.9044
511 5QY 0.9044
512 PZA 0.9040
513 3CE 0.9038
514 ZVO 0.9037
515 0TR 0.9037
516 8WO 0.9037
517 6NT 0.9035
518 HFB 0.9035
519 KLW 0.9034
520 VOH 0.9034
521 CTL 0.9034
522 Z82 0.9031
523 A13 0.9028
524 2CM 0.9028
525 RIP 0.9028
526 6PC 0.9027
527 PRF 0.9026
528 JXN 0.9026
529 4XR 0.9026
530 MS9 0.9025
531 DHK 0.9025
532 2MY 0.9023
533 GMN 0.9022
534 CRS 0.9021
535 X05 0.9020
536 92K 0.9020
537 FPY 0.9020
538 5CL 0.9019
539 BEA 0.9019
540 3PF 0.9019
541 ODO 0.9019
542 4HM 0.9017
543 FBG 0.9016
544 53C 0.9016
545 PQ0 0.9016
546 2ZM 0.9014
547 WOO 0.9013
548 G1O 0.9012
549 4M4 0.9010
550 SHA 0.9010
551 HGQ 0.9009
552 3DO 0.9008
553 P92 0.9007
554 1F1 0.9006
555 OW4 0.9004
556 HBA 0.9004
557 9KT 0.9003
558 2A9 0.9002
559 VNJ 0.9000
560 EV0 0.8999
561 FFP 0.8999
562 K32 0.8998
563 FUF 0.8998
564 3NY 0.8997
565 RCO 0.8996
566 OXZ 0.8996
567 AZF 0.8995
568 4XV 0.8993
569 5GU 0.8990
570 OVP 0.8990
571 NBZ 0.8989
572 DUB 0.8989
573 TC7 0.8988
574 F4Z 0.8985
575 2LP 0.8985
576 2HU 0.8985
577 URA 0.8985
578 FQI 0.8984
579 0MK 0.8984
580 RAM 0.8984
581 F3B 0.8982
582 ABI 0.8981
583 LKA 0.8981
584 6MH 0.8980
585 KJU 0.8980
586 D48 0.8977
587 L3Q 0.8976
588 B3R 0.8976
589 3OC 0.8975
590 1M2 0.8974
591 3FH 0.8974
592 K22 0.8972
593 4YO 0.8972
594 JBH 0.8972
595 RIB 0.8971
596 ALL 0.8970
597 AUD 0.8970
598 0HN 0.8968
599 CLZ 0.8968
600 3CH 0.8968
601 MQN 0.8967
602 G2F 0.8967
603 MAN 0.8965
604 1GN 0.8965
605 4Z4 0.8964
606 JAW 0.8964
607 J5I 0.8963
608 K6X 0.8962
609 GYE 0.8962
610 PDC 0.8961
611 7CZ 0.8960
612 DQN 0.8960
613 HHQ 0.8960
614 HEW 0.8960
615 LG5 0.8960
616 FLM 0.8959
617 EUG 0.8958
618 0HO 0.8956
619 LCN 0.8955
620 GJS 0.8954
621 APZ 0.8953
622 JB8 0.8953
623 GDE 0.8953
624 26D 0.8953
625 BSX 0.8952
626 JUG 0.8952
627 SE2 0.8950
628 3Z8 0.8950
629 AJV 0.8950
630 NPO 0.8950
631 DHQ 0.8950
632 RPQ 0.8950
633 VGL 0.8949
634 LG3 0.8948
635 4NC 0.8947
636 XX2 0.8947
637 7B3 0.8947
638 3MC 0.8945
639 BHO 0.8945
640 LI6 0.8944
641 0TU 0.8944
642 94W 0.8944
643 4JQ 0.8944
644 P9P 0.8944
645 M3T 0.8944
646 JZ1 0.8944
647 6NI 0.8943
648 AIN 0.8943
649 FRU 0.8942
650 NIO 0.8940
651 PHB 0.8940
652 5NI 0.8939
653 UNU 0.8938
654 Y8I 0.8938
655 YIO 0.8938
656 0FN 0.8937
657 DPZ 0.8936
658 ISZ 0.8936
659 YQA 0.8936
660 64K 0.8936
661 MYJ 0.8935
662 IPB 0.8935
663 92Z 0.8935
664 4VP 0.8934
665 H76 0.8934
666 H33 0.8933
667 3A9 0.8931
668 JDN 0.8931
669 N8Y 0.8931
670 X6X 0.8931
671 PNZ 0.8931
672 RHU 0.8930
673 GTZ 0.8930
674 CYT 0.8930
675 8WT 0.8929
676 174 0.8928
677 GM7 0.8926
678 BK9 0.8925
679 Z5P 0.8924
680 GIM 0.8924
681 B2J 0.8924
682 2MN 0.8923
683 SOE 0.8923
684 TM4 0.8922
685 1P3 0.8921
686 J9Q 0.8918
687 MWP 0.8917
688 4FA 0.8916
689 DBX 0.8915
690 6RQ 0.8914
691 2FQ 0.8912
692 OXE 0.8912
693 280 0.8911
694 3HM 0.8910
695 NTZ 0.8910
696 GAF 0.8910
697 NTN 0.8908
698 97T 0.8908
699 LT2 0.8907
700 HLD 0.8906
701 AS3 0.8906
702 209 0.8904
703 FBT 0.8903
704 8GF 0.8902
705 4XS 0.8901
706 XBT 0.8901
707 HY3 0.8900
708 QAT 0.8900
709 GCU 0.8900
710 PCI 0.8899
711 IFM 0.8899
712 2F6 0.8899
713 M2K 0.8898
714 GIF 0.8898
715 BEW 0.8898
716 E5X 0.8898
717 SXS 0.8896
718 KBG 0.8896
719 2FY 0.8896
720 3MH 0.8895
721 9R5 0.8893
722 ZWZ 0.8890
723 FPK 0.8890
724 I1N 0.8890
725 FSW 0.8890
726 BDF 0.8889
727 3IT 0.8887
728 NDH 0.8887
729 AMG 0.8886
730 BDP 0.8884
731 HNQ 0.8883
732 INO 0.8883
733 TOF 0.8882
734 P72 0.8882
735 282 0.8882
736 M5N 0.8881
737 C2A 0.8881
738 DHB 0.8880
739 FCA 0.8880
740 EVA 0.8878
741 NOY 0.8876
742 FHB 0.8875
743 PBZ 0.8875
744 HX3 0.8873
745 3R6 0.8873
746 IP0 0.8872
747 5RO 0.8872
748 TIU 0.8872
749 ZZ8 0.8870
750 J1Z 0.8870
751 XM0 0.8870
752 ABE 0.8870
753 AC0 0.8869
754 TFU 0.8869
755 PAB 0.8868
756 MSN 0.8868
757 2MH 0.8868
758 QOS 0.8866
759 7MU 0.8865
760 CIG 0.8865
761 AEZ 0.8865
762 GZ8 0.8864
763 YCP 0.8864
764 15N 0.8864
765 OA3 0.8863
766 QSB 0.8863
767 DUC 0.8863
768 DMJ 0.8860
769 YTB 0.8859
770 K5W 0.8858
771 4A3 0.8857
772 DNC 0.8857
773 FBV 0.8857
774 94N 0.8855
775 4MA 0.8854
776 6X8 0.8854
777 HXX 0.8854
778 ANN 0.8853
779 GTL 0.8852
780 93K 0.8852
781 OAA 0.8850
782 QAS 0.8850
783 SS1 0.8850
784 ARB 0.8848
785 826 0.8847
786 HBD 0.8847
787 DGJ 0.8847
788 4JM 0.8846
789 8LG 0.8846
790 NNO 0.8845
791 1Y6 0.8844
792 GT0 0.8843
793 938 0.8843
794 CFI 0.8842
795 JLZ 0.8840
796 PRY 0.8840
797 NIZ 0.8840
798 20J 0.8840
799 ZBT 0.8839
800 GOG 0.8838
801 MNM 0.8838
802 MLT 0.8837
803 0GZ 0.8834
804 ARA 0.8834
805 CHB 0.8833
806 GOO 0.8830
807 J9T 0.8826
808 PLQ 0.8823
809 G4D 0.8823
810 7WR 0.8821
811 L89 0.8821
812 6OT 0.8820
813 2HO 0.8820
814 4TU 0.8820
815 DFU 0.8820
816 SW7 0.8819
817 2CH 0.8819
818 FBU 0.8819
819 YAN 0.8817
820 E1T 0.8817
821 MVL 0.8816
822 SRO 0.8814
823 LG4 0.8813
824 AFR 0.8812
825 1AN 0.8810
826 KIV 0.8809
827 285 0.8808
828 HQE 0.8807
829 URQ 0.8807
830 9TW 0.8806
831 2AF 0.8806
832 QSC 0.8806
833 GTR 0.8806
834 MJ2 0.8804
835 PCR 0.8804
836 PCA 0.8802
837 TTY 0.8801
838 GV9 0.8800
839 GXL 0.8800
840 BVF 0.8799
841 HIS 0.8799
842 HTS 0.8798
843 X8D 0.8797
844 O2A 0.8797
845 EYK 0.8797
846 H8N 0.8797
847 JZ4 0.8797
848 PYC 0.8797
849 FP2 0.8796
850 K3Q 0.8796
851 FB1 0.8795
852 IHB 0.8794
853 AGK 0.8794
854 GCB 0.8794
855 SYA 0.8793
856 AX3 0.8792
857 CAQ 0.8791
858 4H2 0.8789
859 76X 0.8788
860 XUL 0.8786
861 93Q 0.8785
862 PKU 0.8784
863 PRO 0.8784
864 92P 0.8783
865 GOX 0.8781
866 FPN 0.8781
867 JTH 0.8780
868 HA7 0.8780
869 H3M 0.8777
870 25R 0.8776
871 DHR 0.8775
872 PXY 0.8775
873 DA1 0.8774
874 4CH 0.8773
875 FOA 0.8772
876 52C 0.8772
877 AEF 0.8770
878 MFU 0.8770
879 HA5 0.8768
880 PBC 0.8766
881 FAN 0.8764
882 173 0.8763
883 6LW 0.8762
884 MAK 0.8762
885 R9Y 0.8762
886 EKZ 0.8760
887 PAF 0.8760
888 1DV 0.8760
889 9FE 0.8759
890 5WU 0.8758
891 N8P 0.8758
892 BML 0.8757
893 JND 0.8757
894 FHN 0.8755
895 NGO 0.8754
896 FBW 0.8753
897 JKZ 0.8752
898 NEQ 0.8752
899 9TY 0.8751
900 259 0.8750
901 SR1 0.8749
902 GZL 0.8749
903 FDK 0.8748
904 RB5 0.8747
905 KBB 0.8746
906 DNF 0.8746
907 23J 0.8745
908 4P5 0.8745
909 7MX 0.8745
910 PZI 0.8745
911 KFH 0.8744
912 JBN 0.8744
913 PA1 0.8742
914 9FL 0.8741
915 4JU 0.8741
916 Q7A 0.8740
917 B5D 0.8740
918 TGX 0.8740
919 KPL 0.8740
920 IFP 0.8740
921 2XX 0.8738
922 LMR 0.8738
923 4KL 0.8738
924 PEY 0.8737
925 ABN 0.8737
926 PFL 0.8736
927 1X7 0.8733
928 EMZ 0.8730
929 23W 0.8730
930 AC6 0.8730
931 6BL 0.8729
932 DNA 0.8729
933 0F9 0.8728
934 GLT 0.8727
935 PD2 0.8727
936 FH2 0.8727
937 0LH 0.8725
938 2LY 0.8724
939 4JN 0.8724
940 LRH 0.8724
941 15E 0.8724
942 R8A 0.8724
943 F1A 0.8722
944 PX7 0.8720
945 WOT 0.8720
946 F31 0.8720
947 8OZ 0.8720
948 V6F 0.8719
949 3BU 0.8719
950 H5B 0.8718
951 SF9 0.8718
952 4HS 0.8714
953 C2Y 0.8713
954 RMN 0.8712
955 ARW 0.8712
956 PQK 0.8712
957 XCZ 0.8711
958 5NE 0.8710
959 FBA 0.8710
960 1XX 0.8710
961 JAB 0.8709
962 LDP 0.8709
963 3ZQ 0.8709
964 SKM 0.8709
965 TP5 0.8708
966 FDR 0.8708
967 NVU 0.8707
968 HBX 0.8704
969 SYN 0.8704
970 C21 0.8703
971 OTD 0.8703
972 W81 0.8702
973 IUP 0.8701
974 URP 0.8700
975 HTP 0.8700
976 9ZE 0.8699
977 SJ5 0.8698
978 DYA 0.8697
979 ENL 0.8695
980 X0W 0.8694
981 GCO 0.8694
982 DEE 0.8692
983 6HQ 0.8691
984 PH2 0.8690
985 YRL 0.8689
986 TZC 0.8688
987 IOL 0.8688
988 A65 0.8688
989 4NM 0.8683
990 4PW 0.8682
991 8XQ 0.8680
992 PBA 0.8680
993 OK7 0.8679
994 J01 0.8677
995 TT4 0.8677
996 2PC 0.8676
997 PY7 0.8676
998 ZB1 0.8674
999 M58 0.8672
1000 IF7 0.8672
1001 40O 0.8670
1002 HHR 0.8670
1003 SFU 0.8668
1004 260 0.8667
1005 IT2 0.8665
1006 9CA 0.8664
1007 M4E 0.8664
1008 SRT 0.8664
1009 TSU 0.8662
1010 MMA 0.8660
1011 EJZ 0.8660
1012 RD4 0.8655
1013 TAR 0.8651
1014 Q71 0.8650
1015 I6G 0.8650
1016 JU2 0.8649
1017 4XX 0.8649
1018 BNT 0.8647
1019 1U1 0.8647
1020 PYF 0.8642
1021 ASC 0.8638
1022 UFV 0.8634
1023 CKA 0.8634
1024 9AP 0.8633
1025 1U6 0.8633
1026 TMZ 0.8631
1027 FCR 0.8630
1028 LYL 0.8630
1029 NBE 0.8629
1030 226 0.8629
1031 ADA 0.8628
1032 MT5 0.8624
1033 LDR 0.8622
1034 TMT 0.8622
1035 SOR 0.8614
1036 1IT 0.8612
1037 SN4 0.8612
1038 FLV 0.8611
1039 HQJ 0.8610
1040 DE5 0.8605
1041 PBR 0.8604
1042 E3D 0.8599
1043 265 0.8597
1044 4WL 0.8597
1045 948 0.8591
1046 069 0.8591
1047 KP6 0.8590
1048 NSG 0.8587
1049 4JL 0.8585
1050 8W9 0.8582
1051 OW7 0.8576
1052 AAS 0.8574
1053 G12 0.8572
1054 3AL 0.8570
1055 SMV 0.8570
1056 K34 0.8569
1057 HIO 0.8569
1058 ZZZ 0.8560
1059 FUB 0.8555
1060 BPN 0.8550
1061 7D2 0.8543
1062 PZM 0.8542
1063 JZ0 0.8540
1064 P84 0.8535
1065 DA4 0.8533
1066 0FK 0.8531
1067 UFO 0.8529
1068 3C1 0.8510
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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