Receptor
PDB id Resolution Class Description Source Keywords
3MDR 2 Å EC: 1.14.13.98 TRANYLCYPROMINE COMPLEX OF CYTOCHROME P450 46A1 HOMO SAPIENS CYP46A1 P450 46A1 P450 TRANYLCYPROMINE MONOOXYGENASE MEENZYME OXIDOREDUCTASE HEME CHOLESTEROL METABOLISM ENDOPRETICULUM IRON LIPID METABOLISM MEMBRANE METAL-BINDINGMICROSOME NADP STEROID METABOLISM TRANSMEMBRANE
Ref.: STRUCTURAL BASIS OF DRUG BINDING TO CYP46A1, AN ENZ CONTROLS CHOLESTEROL TURNOVER IN THE BRAIN. J.BIOL.CHEM. V. 285 31783 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GJZ A:506;
B:506;
 Valid;
Valid;
 none;
none;
 submit data
133.19 C9 H11 N c1ccc...
HEM A:505;
B:505;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3MDV 2.4 Å EC: 1.14.13.98 CLOTRIMAZOLE COMPLEX OF CYTOCHROME P450 46A1 HOMO SAPIENS CYP46A1 P450 46A1 P450 CLOTRIMAZOLE MONOOXYGENASE METABENZYME OXIDOREDUCTASE HEME CHOLESTEROL METABOLISM ENDOPRETICULUM IRON LIPID METABOLISM MEMBRANE METAL-BINDINGMICROSOME NADP STEROID METABOLISM TRANSMEMBRANE
Ref.: STRUCTURAL BASIS OF DRUG BINDING TO CYP46A1, AN ENZ CONTROLS CHOLESTEROL TURNOVER IN THE BRAIN. J.BIOL.CHEM. V. 285 31783 2010
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3MDM - FJZ C15 H24 N4 S c1c([nH]cn....
2 4ENH Ki = 1.7 uM FVX C15 H21 F3 N2 O2 COCCCC/C(=....
3 2Q9F Kd = 7 nM C3S C27 H46 O4 S CC(C)CCC[C....
4 4FIA Kd = 2.9 uM 0U9 C18 H14 F4 N2 O4 S C[C@@](CS(....
5 4J14 Kd = 30 nM X2N C37 H42 F2 N8 O4 CC[C@@H]([....
6 3MDV Kd = 4 nM CL6 C22 H17 Cl N2 c1ccc(cc1)....
7 3MDT Kd = 5 nM VOR C16 H14 F3 N5 O C[C@@H](c1....
8 3MDR - GJZ C9 H11 N c1ccc(cc1)....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3MDM - FJZ C15 H24 N4 S c1c([nH]cn....
2 4ENH Ki = 1.7 uM FVX C15 H21 F3 N2 O2 COCCCC/C(=....
3 2Q9F Kd = 7 nM C3S C27 H46 O4 S CC(C)CCC[C....
4 4FIA Kd = 2.9 uM 0U9 C18 H14 F4 N2 O4 S C[C@@](CS(....
5 4J14 Kd = 30 nM X2N C37 H42 F2 N8 O4 CC[C@@H]([....
6 3MDV Kd = 4 nM CL6 C22 H17 Cl N2 c1ccc(cc1)....
7 3MDT Kd = 5 nM VOR C16 H14 F3 N5 O C[C@@H](c1....
8 3MDR - GJZ C9 H11 N c1ccc(cc1)....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3MDM - FJZ C15 H24 N4 S c1c([nH]cn....
2 4ENH Ki = 1.7 uM FVX C15 H21 F3 N2 O2 COCCCC/C(=....
3 2Q9F Kd = 7 nM C3S C27 H46 O4 S CC(C)CCC[C....
4 4FIA Kd = 2.9 uM 0U9 C18 H14 F4 N2 O4 S C[C@@](CS(....
5 4J14 Kd = 30 nM X2N C37 H42 F2 N8 O4 CC[C@@H]([....
6 3MDV Kd = 4 nM CL6 C22 H17 Cl N2 c1ccc(cc1)....
7 3MDT Kd = 5 nM VOR C16 H14 F3 N5 O C[C@@H](c1....
8 3MDR - GJZ C9 H11 N c1ccc(cc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GJZ; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 GJZ 1 1
2 TPA 0.533333 0.9375
Similar Ligands (3D)
Ligand no: 1; Ligand: GJZ; Similar ligands found: 958
No: Ligand Similarity coefficient
1 NIZ 0.9854
2 CFI 0.9828
3 ISZ 0.9825
4 I1E 0.9794
5 BHO 0.9761
6 BNF 0.9702
7 FEH 0.9702
8 F9P 0.9691
9 NYL 0.9687
10 258 0.9682
11 FBM 0.9662
12 BEZ 0.9655
13 CXF 0.9652
14 QY9 0.9645
15 PAC 0.9639
16 268 0.9633
17 069 0.9625
18 PRA 0.9625
19 K7M 0.9623
20 AC6 0.9610
21 HDH 0.9599
22 RSO 0.9598
23 264 0.9597
24 URS 0.9593
25 45L 0.9589
26 PEA 0.9589
27 J9T 0.9569
28 PHB 0.9551
29 PEL 0.9549
30 PBC 0.9544
31 OTR 0.9537
32 49F 0.9525
33 717 0.9524
34 PZI 0.9523
35 PAB 0.9518
36 L99 0.9517
37 LNR 0.9516
38 FAN 0.9514
39 M3H 0.9510
40 BEN 0.9499
41 4FA 0.9497
42 NPO 0.9496
43 HY1 0.9495
44 PHU 0.9492
45 NCA 0.9491
46 QMP 0.9490
47 7N0 0.9489
48 BAM 0.9488
49 269 0.9486
50 M4T 0.9483
51 B40 0.9481
52 UNU 0.9480
53 JZ7 0.9466
54 MNN 0.9465
55 XIY 0.9458
56 FBJ 0.9457
57 BNS 0.9453
58 3QM 0.9448
59 54D 0.9445
60 K34 0.9443
61 6PC 0.9443
62 F4E 0.9442
63 4P5 0.9441
64 1DJ 0.9433
65 PO6 0.9430
66 7MU 0.9430
67 CEE 0.9421
68 FK8 0.9420
69 QSC 0.9419
70 YRL 0.9413
71 NIO 0.9413
72 XBT 0.9412
73 PMF 0.9410
74 N4B 0.9409
75 HC4 0.9406
76 PIY 0.9405
77 INO 0.9405
78 7WG 0.9399
79 SHA 0.9397
80 HPS 0.9397
81 4MA 0.9396
82 M58 0.9394
83 IZC 0.9388
84 PBZ 0.9386
85 HL5 0.9383
86 SS1 0.9381
87 PIM 0.9380
88 2BG 0.9379
89 DHB 0.9379
90 J0Z 0.9374
91 I4B 0.9373
92 DGN 0.9371
93 NBZ 0.9371
94 97T 0.9370
95 LMR 0.9368
96 PZA 0.9367
97 ASP 0.9365
98 NTN 0.9365
99 OGA 0.9364
100 RBJ 0.9364
101 40E 0.9364
102 AEF 0.9361
103 MXN 0.9357
104 EDR 0.9355
105 MLT 0.9354
106 XM0 0.9354
107 M6W 0.9354
108 AL0 0.9354
109 2HG 0.9352
110 AKG 0.9351
111 LDP 0.9350
112 1Y6 0.9350
113 OAA 0.9349
114 271 0.9349
115 173 0.9348
116 OK7 0.9348
117 HSM 0.9343
118 ORN 0.9342
119 GLU 0.9336
120 J9N 0.9335
121 TSU 0.9334
122 SAN 0.9333
123 4CS 0.9333
124 L5V 0.9332
125 PMB 0.9332
126 J9Q 0.9331
127 8OZ 0.9327
128 1M2 0.9326
129 DS0 0.9325
130 ASN 0.9324
131 FB2 0.9323
132 YCP 0.9322
133 4HP 0.9322
134 3HB 0.9320
135 TZL 0.9320
136 FBS 0.9318
137 HBD 0.9316
138 DHS 0.9315
139 HBA 0.9315
140 2HO 0.9315
141 3OC 0.9314
142 A09 0.9314
143 4J8 0.9312
144 NLE 0.9303
145 P72 0.9303
146 SW7 0.9303
147 4NC 0.9299
148 PPY 0.9298
149 Z82 0.9298
150 AC0 0.9294
151 SPA 0.9290
152 MUC 0.9289
153 9RW 0.9288
154 7A8 0.9284
155 GAB 0.9284
156 OVV 0.9284
157 TZE 0.9283
158 BNL 0.9283
159 FCR 0.9283
160 DE5 0.9276
161 LEU 0.9273
162 3H2 0.9273
163 3NT 0.9273
164 HCI 0.9269
165 DPN 0.9269
166 RJY 0.9268
167 KMT 0.9265
168 3LR 0.9263
169 GUA 0.9262
170 SMN 0.9260
171 O45 0.9260
172 2AL 0.9259
173 BSX 0.9259
174 MR1 0.9259
175 7C3 0.9257
176 HSO 0.9256
177 HHH 0.9254
178 3HP 0.9253
179 93K 0.9253
180 AMC 0.9252
181 ZBT 0.9251
182 KOJ 0.9250
183 DYA 0.9247
184 VGL 0.9242
185 53C 0.9241
186 4ZA 0.9241
187 MYJ 0.9241
188 R9S 0.9239
189 P9P 0.9238
190 SS2 0.9236
191 261 0.9236
192 JYD 0.9232
193 4VP 0.9232
194 TYL 0.9231
195 2LP 0.9230
196 HIS 0.9227
197 4WL 0.9225
198 OEG 0.9224
199 PCA 0.9224
200 GOJ 0.9221
201 KTA 0.9221
202 ITN 0.9220
203 SD4 0.9216
204 6FZ 0.9213
205 52C 0.9213
206 HQJ 0.9212
207 CHB 0.9212
208 5OB 0.9209
209 PKU 0.9208
210 YPN 0.9207
211 HIO 0.9207
212 SSB 0.9207
213 EOU 0.9203
214 SYC 0.9203
215 XX2 0.9203
216 PBN 0.9201
217 PHE 0.9201
218 MSR 0.9201
219 SIN 0.9200
220 T9G 0.9198
221 BZ3 0.9197
222 DHR 0.9195
223 N2Z 0.9193
224 PBA 0.9193
225 OKG 0.9191
226 COI 0.9190
227 A29 0.9190
228 LNO 0.9190
229 FQI 0.9190
230 3SL 0.9189
231 7VP 0.9188
232 AAS 0.9187
233 C1M 0.9187
234 AEG 0.9184
235 CPZ 0.9181
236 GRO 0.9177
237 JKE 0.9176
238 FBW 0.9174
239 QSB 0.9171
240 3AB 0.9171
241 AMS 0.9171
242 LT1 0.9170
243 IHB 0.9170
244 2CO 0.9168
245 9TW 0.9166
246 X0V 0.9166
247 DHI 0.9166
248 AOT 0.9166
249 2FY 0.9166
250 HPV 0.9165
251 NCT 0.9164
252 DGL 0.9162
253 IWT 0.9162
254 AX3 0.9160
255 FP1 0.9159
256 B09 0.9156
257 MPV 0.9154
258 FUM 0.9154
259 TEO 0.9151
260 LYS 0.9150
261 DLY 0.9150
262 ABN 0.9150
263 3BZ 0.9149
264 9J3 0.9147
265 MET 0.9147
266 36Y 0.9146
267 SPV 0.9145
268 6TZ 0.9145
269 PRO 0.9145
270 JFJ 0.9144
271 R9M 0.9144
272 DIR 0.9144
273 GLN 0.9144
274 SAL 0.9143
275 BZ2 0.9141
276 1LN 0.9140
277 SYN 0.9139
278 NF3 0.9139
279 SAF 0.9139
280 FBA 0.9137
281 ALE 0.9136
282 XDE 0.9136
283 URO 0.9134
284 ODO 0.9133
285 263 0.9133
286 TYE 0.9132
287 URP 0.9132
288 RNT 0.9131
289 TCA 0.9131
290 JF6 0.9127
291 HX4 0.9127
292 DBH 0.9127
293 OHP 0.9127
294 JB8 0.9126
295 S2G 0.9125
296 GVG 0.9125
297 5NI 0.9124
298 S8V 0.9124
299 BE2 0.9124
300 H8N 0.9121
301 EKZ 0.9121
302 P58 0.9120
303 TLA 0.9120
304 VKC 0.9119
305 9ON 0.9119
306 JDN 0.9119
307 3HA 0.9118
308 RMN 0.9117
309 JZ4 0.9117
310 2IT 0.9117
311 PPR 0.9116
312 3AL 0.9116
313 BDP 0.9116
314 PYJ 0.9116
315 1MR 0.9115
316 XUL 0.9115
317 1SA 0.9113
318 1L5 0.9112
319 1A7 0.9111
320 PRY 0.9111
321 B85 0.9110
322 JBN 0.9108
323 BCU 0.9108
324 SRT 0.9108
325 H4E 0.9107
326 SMV 0.9107
327 51R 0.9106
328 SJ5 0.9106
329 4FH 0.9105
330 4SX 0.9105
331 AX7 0.9102
332 PEP 0.9100
333 IFP 0.9098
334 PH3 0.9096
335 DAV 0.9095
336 VXX 0.9095
337 42J 0.9095
338 ESP 0.9094
339 C2B 0.9094
340 DHK 0.9092
341 HF2 0.9091
342 5XC 0.9090
343 CXP 0.9090
344 ABV 0.9090
345 HG3 0.9090
346 3PG 0.9090
347 2PG 0.9090
348 DAL DAL 0.9087
349 MS9 0.9087
350 2MI 0.9087
351 2PC 0.9087
352 JLZ 0.9086
353 TIH 0.9086
354 R20 0.9086
355 4XR 0.9086
356 SYM 0.9085
357 DAS 0.9084
358 S2P 0.9084
359 NMJ 0.9084
360 ORO 0.9083
361 4PN 0.9082
362 4JL 0.9081
363 APG 0.9081
364 8ZE 0.9079
365 0HO 0.9079
366 IT2 0.9077
367 449 0.9077
368 SNU 0.9076
369 HBX 0.9075
370 HL4 0.9074
371 7BC 0.9074
372 1DU 0.9074
373 NFA 0.9074
374 GLY ALA 0.9072
375 JZ5 0.9072
376 6NT 0.9071
377 GGL 0.9071
378 R67 0.9070
379 270 0.9068
380 RNS 0.9067
381 TZC 0.9067
382 GLY GLY 0.9066
383 BZX 0.9065
384 8GC 0.9065
385 UGC 0.9065
386 SHI 0.9062
387 PG3 0.9062
388 ONL 0.9061
389 FOA 0.9059
390 3HG 0.9058
391 0HN 0.9057
392 JND 0.9057
393 FBV 0.9056
394 ICB 0.9051
395 3PF 0.9051
396 PNZ 0.9050
397 1F1 0.9050
398 PYF 0.9050
399 PRS 0.9048
400 SN4 0.9048
401 HX2 0.9048
402 1P3 0.9047
403 92K 0.9046
404 4VY 0.9044
405 RAT 0.9044
406 N3W 0.9044
407 MRZ 0.9042
408 1P8 0.9040
409 0BP 0.9036
410 ASC 0.9035
411 4XV 0.9033
412 3M0 0.9033
413 XRG 0.9031
414 MEQ 0.9031
415 I3E 0.9030
416 TAG 0.9030
417 GZ3 0.9029
418 TAR 0.9028
419 I3A 0.9027
420 3NY 0.9027
421 PEQ 0.9027
422 0V5 0.9027
423 DYT 0.9026
424 DHY 0.9026
425 BE7 0.9025
426 3U4 0.9025
427 FPI 0.9025
428 4MV 0.9023
429 LYN 0.9023
430 KMH 0.9020
431 FA1 0.9019
432 Q88 0.9019
433 MED 0.9018
434 ANN 0.9017
435 J6W 0.9016
436 ZXD 0.9014
437 XCZ 0.9014
438 2ZM 0.9013
439 GDE 0.9013
440 0VT 0.9010
441 PGA 0.9010
442 KJU 0.9009
443 8WT 0.9009
444 DOB 0.9009
445 SKM 0.9009
446 4LW 0.9007
447 3F0 0.9006
448 SHF 0.9005
449 BHA 0.9005
450 FB1 0.9004
451 FA0 0.9004
452 6NI 0.9003
453 HFA 0.9003
454 DOR 0.9002
455 C21 0.9001
456 4LV 0.9000
457 1DV 0.8999
458 G3H 0.8998
459 OOG 0.8998
460 G3P 0.8998
461 IPB 0.8996
462 4JM 0.8996
463 CCU 0.8995
464 LPK 0.8994
465 3YP 0.8993
466 H42 0.8992
467 9CL 0.8992
468 NNO 0.8992
469 4JQ 0.8990
470 P92 0.8988
471 23J 0.8987
472 2RH 0.8987
473 AHR 0.8986
474 ES6 0.8986
475 MLE 0.8986
476 4JT 0.8986
477 XSP 0.8985
478 826 0.8984
479 IXW 0.8983
480 E35 0.8982
481 TT4 0.8982
482 D1X 0.8981
483 WCE 0.8980
484 R2P 0.8980
485 ESX 0.8980
486 IP0 0.8979
487 4SV 0.8979
488 D3G 0.8978
489 IOM 0.8977
490 CRN 0.8977
491 CH9 0.8975
492 TP5 0.8975
493 HGA 0.8972
494 VNJ 0.8972
495 2LY 0.8970
496 PPT 0.8968
497 APY 0.8968
498 AMH 0.8968
499 HNK 0.8968
500 XLS 0.8967
501 TZF 0.8967
502 152 0.8966
503 XIZ 0.8966
504 OXC 0.8965
505 36E 0.8965
506 CN0 0.8965
507 1GP 0.8965
508 K5W 0.8964
509 92P 0.8963
510 FUD 0.8962
511 6M4 0.8962
512 5CU 0.8962
513 3SK 0.8962
514 8GL 0.8962
515 2FT 0.8962
516 PY7 0.8961
517 4M0 0.8961
518 ABI 0.8960
519 34D 0.8960
520 B24 0.8959
521 SEP 0.8955
522 JZ3 0.8955
523 A5E 0.8954
524 ES2 0.8954
525 15N 0.8952
526 MZW 0.8952
527 BP9 0.8952
528 K6V 0.8950
529 MSE 0.8949
530 TIU 0.8948
531 F05 0.8947
532 BPW 0.8947
533 1BN 0.8947
534 EHM 0.8946
535 GWM 0.8944
536 ABU 0.8944
537 EV0 0.8943
538 4YO 0.8943
539 273 0.8943
540 7WV 0.8942
541 5QY 0.8940
542 4XS 0.8939
543 14J 0.8939
544 8WO 0.8938
545 4AA 0.8937
546 TSS 0.8936
547 51F 0.8935
548 FBB 0.8934
549 2F6 0.8933
550 XYL 0.8933
551 PZM 0.8932
552 8K2 0.8932
553 HYP 0.8930
554 3A9 0.8929
555 61M 0.8929
556 BPN 0.8928
557 3C4 0.8927
558 4A3 0.8926
559 3CR 0.8926
560 LYL 0.8925
561 HHA 0.8924
562 M45 0.8924
563 9X7 0.8921
564 A3M 0.8920
565 DEE 0.8920
566 FHB 0.8919
567 SME 0.8917
568 282 0.8917
569 LFC 0.8916
570 RB5 0.8916
571 G2H 0.8915
572 NBE 0.8915
573 JRB 0.8914
574 N2I 0.8910
575 PYC 0.8910
576 B2J 0.8909
577 TYR 0.8907
578 XDK 0.8905
579 MTL 0.8904
580 JB5 0.8902
581 3HM 0.8901
582 69O 0.8900
583 2BX 0.8900
584 1DQ 0.8898
585 PGH 0.8898
586 EGR 0.8898
587 AOS 0.8895
588 PJW 0.8895
589 RHU 0.8895
590 GLO 0.8893
591 174 0.8891
592 E5X 0.8891
593 2A9 0.8891
594 AHN 0.8890
595 1WD 0.8889
596 RM1 0.8889
597 GP9 0.8889
598 JAW 0.8882
599 P7Y 0.8882
600 ALA ALA 0.8882
601 SHO 0.8881
602 3FH 0.8881
603 C2Y 0.8880
604 9YL 0.8879
605 ASO 0.8879
606 DGJ 0.8877
607 03V 0.8876
608 MAE 0.8876
609 1WC 0.8875
610 13P 0.8875
611 YZM 0.8874
612 ES5 0.8873
613 F9Y 0.8871
614 K2T 0.8871
615 SOR 0.8871
616 AHC 0.8869
617 SVD 0.8869
618 PG0 0.8869
619 ONR 0.8869
620 TFB 0.8868
621 5GU 0.8867
622 0F9 0.8866
623 BHH 0.8866
624 4NM 0.8866
625 Q03 0.8865
626 SR1 0.8864
627 HYA 0.8863
628 TH7 0.8863
629 6NA 0.8862
630 0OC 0.8862
631 RUY 0.8860
632 GTQ 0.8860
633 0LH 0.8860
634 5XB 0.8860
635 HIC 0.8860
636 COU 0.8860
637 2AQ 0.8860
638 3OL 0.8857
639 BRT 0.8856
640 GZL 0.8856
641 9FL 0.8855
642 L22 0.8854
643 SYG 0.8854
644 ICO 0.8854
645 9ZE 0.8853
646 GAG 0.8852
647 IDM 0.8852
648 ET2 0.8851
649 T2C 0.8851
650 4FS 0.8851
651 WOT 0.8850
652 2HC 0.8849
653 UFV 0.8849
654 AS3 0.8849
655 5NU 0.8847
656 CWM 0.8846
657 OCH 0.8845
658 16D 0.8843
659 GAL 0.8843
660 SYV 0.8842
661 SC2 0.8842
662 MES 0.8842
663 F31 0.8842
664 5HN 0.8841
665 HSE 0.8840
666 UY7 0.8839
667 GIF 0.8838
668 2CL 0.8838
669 QSH 0.8838
670 HCS 0.8838
671 N9J 0.8838
672 Q02 0.8838
673 4Z4 0.8837
674 AHB 0.8836
675 HX3 0.8836
676 NK 0.8835
677 0R0 0.8835
678 9R5 0.8834
679 OHG 0.8833
680 HPP 0.8832
681 M1Z 0.8827
682 36M 0.8827
683 0NX 0.8825
684 NSP 0.8825
685 GPF 0.8824
686 1X4 0.8823
687 CCE 0.8823
688 HNH 0.8822
689 2CK 0.8822
690 ES0 0.8821
691 5RN 0.8821
692 1XA 0.8821
693 7Q1 0.8820
694 4JC 0.8819
695 QBM 0.8818
696 1PT 0.8818
697 2AS 0.8817
698 KTJ 0.8816
699 PLU 0.8814
700 PSE 0.8813
701 JAE 0.8813
702 N6C 0.8812
703 EUG 0.8812
704 RIB 0.8811
705 5LA 0.8811
706 ENO 0.8808
707 DFB 0.8808
708 JTH 0.8808
709 A9P 0.8807
710 14O 0.8807
711 0JD 0.8807
712 R9Y 0.8806
713 E7S 0.8806
714 4HM 0.8805
715 M2K 0.8805
716 5H1 0.8805
717 GBD 0.8805
718 EOL 0.8804
719 E7Z 0.8803
720 BPY 0.8803
721 PRZ 0.8803
722 2K4 0.8802
723 V55 0.8802
724 JA8 0.8800
725 5MI 0.8798
726 OMD 0.8798
727 XXG 0.8797
728 X1S 0.8796
729 HHI 0.8795
730 C2A 0.8795
731 SOL 0.8795
732 1Z6 0.8794
733 GLC 0.8794
734 LT2 0.8792
735 HMH 0.8789
736 9TZ 0.8789
737 7MX 0.8789
738 FBU 0.8789
739 HNL 0.8788
740 A13 0.8788
741 F60 0.8787
742 KP6 0.8786
743 2EC 0.8786
744 4ME 0.8785
745 5MB 0.8784
746 S24 0.8782
747 FYU 0.8782
748 5RG 0.8781
749 60P 0.8780
750 XQI 0.8779
751 VNL 0.8778
752 G4D 0.8778
753 3BU 0.8777
754 8U3 0.8777
755 R8A 0.8776
756 TGX 0.8776
757 RUJ 0.8775
758 92G 0.8774
759 EYV 0.8773
760 4LR 0.8771
761 H7Y 0.8771
762 MJ2 0.8771
763 11S 0.8770
764 L14 0.8770
765 GYE 0.8769
766 E1P 0.8768
767 GCU 0.8766
768 R2B 0.8765
769 QUS 0.8764
770 8H8 0.8764
771 6AI 0.8762
772 428 0.8762
773 36R 0.8762
774 KTW 0.8761
775 CSS 0.8761
776 6OT 0.8761
777 AG2 0.8761
778 2HU 0.8760
779 HY3 0.8759
780 AGK 0.8759
781 MAH 0.8759
782 P3K 0.8759
783 5AC 0.8758
784 DQA 0.8758
785 E4P 0.8756
786 MAJ 0.8756
787 VGD 0.8753
788 AW5 0.8752
789 3XX 0.8751
790 LEA 0.8750
791 CFA 0.8750
792 46P 0.8749
793 IF7 0.8749
794 M5E 0.8748
795 NOJ 0.8748
796 9RH 0.8747
797 ES9 0.8747
798 4NG 0.8745
799 2D0 0.8745
800 M4S 0.8743
801 DQY 0.8743
802 GTR 0.8742
803 DHC 0.8740
804 ADA 0.8740
805 1CO 0.8740
806 54G 0.8739
807 NM3 0.8738
808 NM2 0.8738
809 HDA 0.8738
810 QIC 0.8737
811 URC 0.8734
812 Z5P 0.8733
813 ILE 0.8733
814 EN1 0.8732
815 MZT 0.8732
816 3ID 0.8731
817 259 0.8731
818 5M0 0.8729
819 6RQ 0.8729
820 23A 0.8729
821 MEV 0.8727
822 DEW 0.8722
823 IAC 0.8721
824 FK1 0.8721
825 CWJ 0.8720
826 4P0 0.8718
827 H4N 0.8718
828 3S5 0.8717
829 GCO 0.8717
830 DTY 0.8717
831 IFL 0.8716
832 SWA 0.8716
833 P84 0.8715
834 FHC 0.8711
835 LDU 0.8711
836 OXQ 0.8710
837 HA5 0.8710
838 FGZ 0.8710
839 A8C 0.8710
840 KUF 0.8709
841 6M9 0.8709
842 P81 0.8709
843 PC 0.8708
844 5WV 0.8707
845 FA3 0.8703
846 D48 0.8703
847 JAB 0.8700
848 KBB 0.8700
849 1P7 0.8699
850 P80 0.8699
851 NOY 0.8699
852 5MK 0.8698
853 2A7 0.8698
854 286 0.8698
855 7HQ 0.8697
856 GZQ 0.8695
857 4BZ 0.8692
858 7QS 0.8690
859 24B 0.8689
860 ICF 0.8687
861 GPJ 0.8683
862 4TB 0.8683
863 EMZ 0.8682
864 ZZ3 0.8680
865 CLW 0.8680
866 KVP 0.8680
867 RLG 0.8679
868 SDD 0.8679
869 DC5 0.8679
870 G3E 0.8678
871 SSN 0.8677
872 SNO 0.8676
873 EVF 0.8673
874 Q6T 0.8672
875 6M1 0.8671
876 SRO 0.8669
877 5RO 0.8669
878 265 0.8666
879 2FG 0.8662
880 EXD 0.8658
881 MQN 0.8657
882 TZM 0.8657
883 F0J 0.8657
884 DMD 0.8655
885 UNJ 0.8654
886 SNE 0.8654
887 IFM 0.8651
888 42C 0.8649
889 YIE 0.8649
890 2HQ 0.8649
891 NPY 0.8648
892 MQB 0.8645
893 HMU 0.8644
894 NVU 0.8644
895 GBN 0.8643
896 JZ1 0.8643
897 5VM 0.8641
898 AT3 0.8640
899 DBX 0.8640
900 6CS 0.8639
901 G2F 0.8635
902 KDV 0.8634
903 L13 0.8632
904 CXH 0.8630
905 5B1 0.8630
906 CWS 0.8629
907 EVA 0.8628
908 ISN 0.8627
909 XQ0 0.8626
910 S76 0.8626
911 8NY 0.8625
912 LAO 0.8624
913 AKH 0.8620
914 CIT 0.8619
915 QUZ 0.8613
916 3PP 0.8611
917 ZZT 0.8611
918 LCN 0.8607
919 FBT 0.8605
920 GCB 0.8603
921 KKN 0.8603
922 795 0.8596
923 4SD 0.8594
924 J5I 0.8593
925 GLA 0.8592
926 1DW 0.8592
927 GRE 0.8591
928 AH8 0.8588
929 A7W 0.8583
930 0TU 0.8583
931 149 0.8581
932 ES7 0.8580
933 EYK 0.8579
934 JZ9 0.8579
935 82I 0.8578
936 DIN 0.8575
937 TTL 0.8574
938 PFF 0.8574
939 MRW 0.8572
940 NLP 0.8569
941 6F0 0.8568
942 3Z8 0.8560
943 12T 0.8559
944 URF 0.8555
945 3DO 0.8551
946 KBZ 0.8550
947 23W 0.8547
948 GAF 0.8541
949 JBE 0.8541
950 7W4 0.8540
951 FOT 0.8535
952 IJZ 0.8535
953 SE2 0.8534
954 86J 0.8531
955 LZM 0.8527
956 N8Y 0.8527
957 SV4 0.8512
958 C82 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3MDV; Ligand: CL6; 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: 3mdv.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3MDV; Ligand: CL6; 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: 3mdv.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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