Receptor
PDB id Resolution Class Description Source Keywords
4CFT 1.79 Å EC: 1.14.13.39 STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 7-((3-FLUOROPHENETHYLAMINO)ETHYL) Q UINOLIN-2-AMINE BOS TAURUS OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: SIMPLIFIED 2-AMINOQUINOLINE-BASED SCAFFOLD FOR POTE SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITION J.MED.CHEM. V. 57 1513 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
H4B B:600;
A:600;
Valid;
Valid;
none;
none;
submit data
241.247 C9 H15 N5 O3 C[C@@...
ACT A:861;
A:860;
B:861;
B:860;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
ZN A:1483;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
GOL A:880;
B:880;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
M48 B:801;
A:801;
Valid;
Valid;
none;
none;
Ki = 11.16 uM
309.381 C19 H20 F N3 c1cc(...
HEM A:500;
B:500;
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
4CFT 1.79 Å EC: 1.14.13.39 STRUCTURE OF BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 7-((3-FLUOROPHENETHYLAMINO)ETHYL) Q UINOLIN-2-AMINE BOS TAURUS OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: SIMPLIFIED 2-AMINOQUINOLINE-BASED SCAFFOLD FOR POTE SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITION J.MED.CHEM. V. 57 1513 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 4CFT Ki = 11.16 uM M48 C19 H20 F N3 c1cc(cc(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4CFT Ki = 11.16 uM M48 C19 H20 F N3 c1cc(cc(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4CFT Ki = 11.16 uM M48 C19 H20 F N3 c1cc(cc(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: H4B; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 H4B 1 1
2 BHS 1 1
3 2K8 0.534483 0.903226
4 44V 0.526316 0.852459
5 B62 0.526316 0.852459
6 ZZZ 0.508475 0.852459
Ligand no: 2; Ligand: M48; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 M48 1 1
2 M46 0.825397 0.975
3 M87 0.75 0.948718
4 M7K 0.75 0.948718
5 M68 0.714286 0.95
6 ML6 0.633803 0.975
7 M62 0.513889 0.794872
8 9PM 0.474359 0.818182
9 M94 0.45679 0.64
10 9P4 0.444444 0.951219
11 JHT 0.44 0.630435
12 9P7 0.4375 0.733333
13 P94 0.434211 0.804878
14 P64 0.428571 0.717391
15 XH8 0.419753 0.853659
16 0GD 0.414634 0.857143
17 JI4 0.406593 0.730769
18 J11 0.406593 0.730769
19 J14 0.406593 0.730769
20 JI5 0.406593 0.730769
21 9P1 0.4 0.630435
Similar Ligands (3D)
Ligand no: 1; Ligand: H4B; Similar ligands found: 1269
No: Ligand Similarity coefficient
1 4AB 1.0000
2 H2B 1.0000
3 HBI 1.0000
4 EF2 1.0000
5 EQU 1.0000
6 GDL 1.0000
7 Y4L 1.0000
8 REL 1.0000
9 CIY 1.0000
10 ZSP 0.9931
11 BIO 0.9871
12 NEO 0.9812
13 7AP 0.9763
14 NEU 0.9706
15 MPU 0.9623
16 0J4 0.9614
17 S60 0.9600
18 BGU 0.9599
19 2WU 0.9590
20 S98 0.9561
21 LUM 0.9546
22 N0Z 0.9545
23 HHS 0.9518
24 NPX 0.9515
25 1DR 0.9501
26 RSV 0.9491
27 AP6 0.9480
28 HRD 0.9479
29 LFN 0.9466
30 GXG 0.9465
31 FT6 0.9452
32 B52 0.9434
33 H4B NO 0.9420
34 6FB 0.9419
35 ANC 0.9406
36 WS7 0.9398
37 WS6 0.9395
38 FYR 0.9389
39 N1E 0.9389
40 PMM 0.9385
41 B61 0.9380
42 M78 0.9379
43 CX6 0.9376
44 2QU 0.9373
45 0SY 0.9372
46 SJK 0.9369
47 92O 0.9366
48 HRM 0.9364
49 6QF 0.9362
50 DX2 0.9361
51 0FK 0.9360
52 FWD 0.9359
53 NRA 0.9357
54 PRL 0.9356
55 KF5 0.9349
56 JRO 0.9347
57 NPS 0.9345
58 TRP 0.9343
59 344 0.9342
60 EQA 0.9340
61 96Z 0.9338
62 CTE 0.9336
63 WV7 0.9331
64 2J1 0.9329
65 ITE 0.9327
66 S7G 0.9325
67 3VX 0.9324
68 5VU 0.9322
69 PH2 0.9321
70 4Z1 0.9318
71 K7H 0.9314
72 N91 0.9314
73 QIV 0.9313
74 Z25 0.9310
75 YZ9 0.9302
76 B5A 0.9298
77 0OK 0.9298
78 3J8 0.9296
79 FF2 0.9292
80 Y3L 0.9286
81 B56 0.9284
82 8HC 0.9284
83 GEN 0.9280
84 OLU 0.9278
85 5E5 0.9274
86 4OG 0.9270
87 ZHA 0.9268
88 UAY 0.9265
89 X48 0.9264
90 OA4 0.9258
91 7L4 0.9257
92 0J5 0.9257
93 8Y7 0.9255
94 AJG 0.9255
95 VUP 0.9247
96 AJ1 0.9247
97 EES 0.9246
98 5NN 0.9246
99 HHR 0.9245
100 5SJ 0.9243
101 1Q4 0.9240
102 JTA 0.9240
103 GZV 0.9239
104 XCG 0.9236
105 5AD 0.9234
106 MUX 0.9234
107 5S9 0.9232
108 ZEC 0.9230
109 KLV 0.9229
110 PIQ 0.9229
111 CC5 0.9221
112 9CE 0.9219
113 5TY 0.9218
114 GNV 0.9217
115 Z21 0.9213
116 MUK 0.9212
117 7PJ 0.9210
118 1A5 0.9208
119 3SU 0.9203
120 X0U 0.9201
121 T1N 0.9196
122 DBS 0.9196
123 JF8 0.9195
124 DRG 0.9195
125 0UL 0.9195
126 ZRK 0.9192
127 5C1 0.9192
128 PVQ 0.9192
129 D64 0.9191
130 3Y7 0.9191
131 CWD 0.9190
132 AC2 0.9189
133 3R4 0.9189
134 2PV 0.9188
135 ITW 0.9187
136 9KZ 0.9183
137 F40 0.9181
138 3IL 0.9181
139 V1T 0.9181
140 CG 0.9180
141 BQ2 0.9180
142 ZYR 0.9180
143 2P3 0.9179
144 KMY 0.9177
145 Q0K 0.9177
146 BWD 0.9177
147 1ZC 0.9176
148 2QV 0.9175
149 TMG 0.9174
150 RVE 0.9173
151 CHQ 0.9171
152 3GX 0.9169
153 1FE 0.9167
154 1QV 0.9167
155 697 0.9165
156 7PS 0.9165
157 Y70 0.9164
158 KP2 0.9164
159 EUH 0.9161
160 S0E 0.9161
161 20D 0.9160
162 68A 0.9160
163 9TF 0.9160
164 DNQ 0.9159
165 B21 0.9158
166 1V1 0.9156
167 JGB 0.9156
168 EMO 0.9155
169 0NJ 0.9154
170 SYE 0.9153
171 0DF 0.9153
172 4NR 0.9152
173 WLH 0.9151
174 2PK 0.9150
175 ZRL 0.9149
176 EYY 0.9149
177 RE4 0.9142
178 1BW 0.9141
179 FQX 0.9141
180 GO8 0.9139
181 ONZ 0.9137
182 3N1 0.9137
183 DPT 0.9137
184 BVS 0.9136
185 3IB 0.9135
186 H75 0.9134
187 APS 0.9134
188 SG2 0.9133
189 DFL 0.9133
190 PYU 0.9131
191 5WT 0.9131
192 2GQ 0.9131
193 PMP 0.9131
194 2JX 0.9130
195 FDR 0.9130
196 22L 0.9130
197 AMR 0.9129
198 RGK 0.9128
199 AN3 0.9127
200 PVK 0.9127
201 YX1 0.9127
202 A73 0.9126
203 0FR 0.9123
204 QME 0.9123
205 JBZ 0.9123
206 MD6 0.9123
207 NKI 0.9121
208 22T 0.9120
209 5B2 0.9119
210 3F4 0.9119
211 EV2 0.9119
212 7EH 0.9119
213 GO2 0.9119
214 EI1 0.9118
215 25F 0.9118
216 4R1 0.9118
217 7FU 0.9117
218 SZ5 0.9116
219 HNT 0.9116
220 CPW 0.9115
221 4HB 0.9113
222 A9B 0.9113
223 DTR 0.9112
224 BP7 0.9112
225 CGW 0.9112
226 4I8 0.9111
227 3D8 0.9110
228 L2K 0.9109
229 LVY 0.9103
230 397 0.9103
231 78U 0.9102
232 FNT 0.9102
233 F5C 0.9101
234 2D2 0.9100
235 A5H 0.9100
236 272 0.9096
237 OA1 0.9095
238 SKF 0.9094
239 IWD 0.9094
240 YF3 0.9093
241 X0T 0.9093
242 28A 0.9093
243 EUE 0.9093
244 CNI 0.9093
245 E3X 0.9092
246 5V7 0.9091
247 657 0.9090
248 W23 0.9090
249 GW3 0.9089
250 4GU 0.9089
251 IOP 0.9089
252 FCD 0.9089
253 KWB 0.9089
254 NAL 0.9088
255 MFR 0.9088
256 FCW 0.9087
257 OUB 0.9086
258 N2M 0.9086
259 363 0.9085
260 IQW 0.9084
261 AUG 0.9083
262 NWD 0.9083
263 3AD 0.9082
264 CDY 0.9081
265 BPY 0.9081
266 6DQ 0.9080
267 X04 0.9079
268 LTN 0.9076
269 LOT 0.9075
270 ZYQ 0.9075
271 LZ2 0.9075
272 54E 0.9074
273 1V4 0.9073
274 DTE 0.9070
275 4KL 0.9070
276 IDZ 0.9070
277 47V 0.9069
278 E1T 0.9069
279 ANF 0.9068
280 BBY 0.9066
281 E6Q 0.9065
282 537 0.9064
283 AVX 0.9063
284 4BX 0.9062
285 XYP XIF 0.9061
286 XIF XYP 0.9061
287 NIF 0.9061
288 IXG 0.9061
289 THA 0.9061
290 5OR 0.9060
291 109 0.9059
292 HBO 0.9058
293 8XL 0.9058
294 E9S 0.9057
295 P9E 0.9057
296 46M 0.9055
297 P4L 0.9055
298 A05 0.9055
299 ARP 0.9055
300 GB4 0.9054
301 M9K 0.9053
302 JO5 0.9053
303 5M2 0.9052
304 6L6 0.9052
305 A5Q 0.9052
306 AQN 0.9049
307 II4 0.9048
308 JA5 0.9047
309 1V3 0.9044
310 S0D 0.9044
311 3DE 0.9042
312 E1K 0.9042
313 YE7 0.9041
314 6KT 0.9041
315 A6W 0.9040
316 ZAR 0.9038
317 88R 0.9037
318 AH6 0.9037
319 CXH 0.9037
320 EXG 0.9036
321 2FX 0.9035
322 4FE 0.9034
323 3L1 0.9034
324 HWD 0.9034
325 GFE 0.9033
326 BZJ 0.9031
327 6HO 0.9031
328 XI7 0.9031
329 789 0.9030
330 15Q 0.9029
331 JCZ 0.9028
332 4BY 0.9027
333 49P 0.9027
334 KW7 0.9026
335 7MW 0.9026
336 YE6 0.9026
337 AA 0.9026
338 PE2 0.9025
339 801 0.9025
340 CK2 0.9025
341 IKY 0.9024
342 BGN 0.9023
343 M3F 0.9023
344 IL5 0.9023
345 1HR 0.9022
346 26C 0.9022
347 3D1 0.9021
348 G6P 0.9021
349 BG6 0.9021
350 5F1 0.9019
351 1FL 0.9019
352 9JT 0.9019
353 2UD 0.9018
354 LI7 0.9017
355 78P 0.9017
356 BMZ 0.9017
357 EE8 0.9017
358 GA2 0.9015
359 47X 0.9014
360 E9L 0.9013
361 8M5 0.9013
362 833 0.9012
363 0GA 0.9012
364 4Z9 0.9012
365 XYP XYP 0.9012
366 EYJ 0.9011
367 3QV 0.9011
368 8D6 0.9010
369 TCR 0.9010
370 1CY 0.9010
371 ADN 0.9009
372 MXD 0.9008
373 6EL 0.9007
374 DXK 0.9007
375 KTW 0.9007
376 PRH 0.9006
377 B41 0.9005
378 MDR 0.9005
379 HFT 0.9004
380 TIA 0.9004
381 P2L 0.9003
382 P4T 0.9002
383 JF2 0.9002
384 5GV 0.9000
385 30G 0.9000
386 JY4 0.9000
387 0OO 0.9000
388 PW1 0.8998
389 EXR 0.8997
390 KYN 0.8996
391 1QP 0.8995
392 5ER 0.8994
393 JF1 0.8994
394 2J5 0.8994
395 FHV 0.8994
396 MNS 0.8994
397 PQT 0.8993
398 CR4 0.8993
399 X2M 0.8993
400 3JL 0.8992
401 120 0.8992
402 CP6 0.8992
403 3ZB 0.8991
404 78Y 0.8991
405 9ZE 0.8990
406 GXD 0.8990
407 C4E 0.8989
408 4BL 0.8988
409 Q5M 0.8988
410 AX5 0.8988
411 CL9 0.8987
412 7D7 0.8986
413 DT7 0.8986
414 092 0.8986
415 DAH 0.8986
416 V15 0.8986
417 HA6 0.8985
418 ZIP 0.8984
419 JAH 0.8984
420 NIY 0.8983
421 3AK 0.8982
422 MPP 0.8982
423 BA5 0.8982
424 TGW 0.8982
425 M5H 0.8981
426 Z17 0.8981
427 TXQ 0.8981
428 4CN 0.8980
429 14Z 0.8979
430 8SK 0.8977
431 5XL 0.8975
432 549 0.8974
433 A7H 0.8974
434 GJK 0.8974
435 4FF 0.8973
436 CX4 0.8973
437 1HN 0.8973
438 8NX 0.8972
439 5WS 0.8971
440 89J 0.8971
441 6H2 0.8971
442 2O6 0.8971
443 P1J 0.8971
444 F52 0.8971
445 7MX 0.8970
446 1SF 0.8970
447 SLS 0.8970
448 1HP 0.8970
449 C2M 0.8970
450 UNJ 0.8969
451 PQS 0.8969
452 FPL 0.8969
453 5I5 0.8968
454 S0G 0.8968
455 9FH 0.8967
456 6MD 0.8967
457 9R5 0.8966
458 1YL 0.8965
459 Y0V 0.8964
460 54X 0.8963
461 2L2 0.8963
462 ZEZ 0.8962
463 D9Z 0.8961
464 D8Q 0.8960
465 WSD 0.8960
466 H2W 0.8959
467 GJP 0.8959
468 AWE 0.8959
469 1AJ 0.8958
470 2LT 0.8958
471 D1Y 0.8957
472 GNG 0.8957
473 MP5 0.8957
474 SIZ 0.8956
475 NDD 0.8956
476 GNY 0.8956
477 ZTW 0.8955
478 52F 0.8954
479 3BH 0.8954
480 XYA 0.8953
481 041 0.8953
482 5CD 0.8953
483 A4D 0.8953
484 CDJ 0.8953
485 0K7 0.8953
486 NAG 0.8953
487 TOH 0.8952
488 HPR 0.8951
489 F4U 0.8951
490 VC3 0.8950
491 C9M 0.8949
492 JOB 0.8949
493 LL1 0.8948
494 B4O 0.8948
495 W8L 0.8948
496 4AU 0.8948
497 H35 0.8947
498 RDT 0.8947
499 6HP 0.8947
500 9UL 0.8947
501 6TJ 0.8947
502 FER 0.8947
503 XYP XDN 0.8946
504 AH9 0.8946
505 GVY 0.8946
506 BB4 0.8945
507 EAE 0.8945
508 PLP 0.8945
509 FMQ 0.8945
510 PQM 0.8944
511 STZ 0.8944
512 FZM 0.8944
513 6ZW 0.8942
514 124 0.8942
515 SQM 0.8941
516 21D 0.8940
517 BIK 0.8940
518 TBN 0.8939
519 L3L 0.8939
520 ESI 0.8938
521 MS0 0.8936
522 K97 0.8936
523 7EL 0.8935
524 3VS 0.8935
525 MIL 0.8934
526 9BF 0.8934
527 42R 0.8933
528 4RU 0.8932
529 QMS 0.8932
530 RNK 0.8931
531 3IP 0.8931
532 6P3 0.8931
533 AUE 0.8931
534 EAT 0.8930
535 PTB 0.8930
536 5O6 0.8928
537 9OF 0.8928
538 5WK 0.8926
539 G30 0.8926
540 JY2 0.8926
541 6QT 0.8926
542 FY8 0.8925
543 NOS 0.8925
544 ZEA 0.8925
545 8G6 0.8925
546 EXD 0.8925
547 TSR 0.8923
548 CZ0 0.8921
549 5NB 0.8921
550 B23 0.8920
551 LR8 0.8920
552 BDI 0.8919
553 92P 0.8919
554 S8G 0.8919
555 L15 0.8919
556 61M 0.8919
557 3CA 0.8919
558 JXQ 0.8918
559 19E 0.8918
560 J38 0.8917
561 ARJ 0.8917
562 8OX 0.8917
563 NOC 0.8917
564 CX5 0.8917
565 S7V 0.8914
566 LJ3 0.8914
567 GZ2 0.8914
568 ENG 0.8913
569 1XS 0.8912
570 JWS 0.8912
571 B2E 0.8911
572 CMU 0.8911
573 18E 0.8911
574 5N5 0.8911
575 XDL XYP 0.8910
576 XIL 0.8910
577 MMS 0.8910
578 U13 0.8910
579 F18 0.8910
580 28N 0.8910
581 8MO 0.8909
582 5FD 0.8909
583 FM1 0.8908
584 EYV 0.8908
585 EQW 0.8908
586 1DA 0.8908
587 NB1 0.8908
588 A63 0.8908
589 3WK 0.8907
590 N8Y 0.8907
591 7G0 0.8907
592 5NS 0.8907
593 JP2 0.8907
594 NQ8 0.8907
595 5WN 0.8905
596 AD3 0.8905
597 15N 0.8905
598 WCU 0.8905
599 8HG 0.8904
600 NK5 0.8903
601 XFE 0.8902
602 PIC 0.8901
603 VPU 0.8901
604 1EB 0.8901
605 LR2 0.8901
606 M3W 0.8900
607 1KN 0.8900
608 GNM 0.8900
609 JXT 0.8899
610 FMB 0.8899
611 PXP 0.8899
612 M4E 0.8898
613 C2Y 0.8898
614 PEY 0.8898
615 MTP 0.8897
616 A 0.8897
617 RKV 0.8897
618 LWS 0.8896
619 121 0.8895
620 RAB 0.8895
621 FT2 0.8895
622 3WJ 0.8894
623 122 0.8894
624 6BK 0.8894
625 A5P 0.8894
626 AOY 0.8893
627 GI4 0.8893
628 BC3 0.8893
629 I2E 0.8892
630 9DI 0.8891
631 3UG 0.8890
632 IMH 0.8890
633 C93 0.8889
634 12R 0.8889
635 M77 0.8889
636 MQG 0.8889
637 UA2 0.8888
638 LP8 0.8888
639 OQC 0.8888
640 OX2 0.8887
641 M6P 0.8887
642 JA3 0.8887
643 5TZ 0.8887
644 3JN 0.8886
645 BVA 0.8885
646 HH6 0.8884
647 NE2 0.8884
648 THM 0.8884
649 5OO 0.8884
650 JG8 0.8882
651 MUR 0.8882
652 ENO 0.8882
653 FMC 0.8881
654 L21 0.8880
655 JYK 0.8880
656 IMG 0.8880
657 WUB 0.8880
658 BZQ 0.8879
659 P0P 0.8878
660 57D 0.8878
661 JXK 0.8877
662 NOK 0.8876
663 4UM 0.8876
664 PLR 0.8876
665 MW5 0.8876
666 AJ4 0.8875
667 M01 0.8875
668 ZME 0.8875
669 ZZA 0.8875
670 AU8 0.8875
671 14N 0.8874
672 FC2 0.8874
673 EZL 0.8874
674 N7I 0.8874
675 MJ5 0.8874
676 MR6 0.8873
677 B1J 0.8873
678 6SD 0.8873
679 3WN 0.8872
680 3WO 0.8872
681 5P3 0.8871
682 S7D 0.8871
683 MR4 0.8871
684 2J2 0.8871
685 0JD 0.8871
686 1SS 0.8871
687 IDD 0.8869
688 AX4 0.8868
689 6J5 0.8868
690 555 0.8867
691 39Z 0.8867
692 K80 0.8866
693 NYJ 0.8864
694 RKN 0.8864
695 EST 0.8864
696 5GT 0.8864
697 CUE 0.8864
698 QR2 0.8864
699 BSA 0.8864
700 XYS XYP 0.8863
701 C0H 0.8862
702 PZP 0.8862
703 PLP PMP 0.8862
704 VT3 0.8861
705 LTM 0.8860
706 27F 0.8858
707 BGP 0.8858
708 62D 0.8858
709 GNJ 0.8858
710 ELH 0.8858
711 848 0.8857
712 9FG 0.8857
713 KMP 0.8857
714 EVF 0.8857
715 PUR 0.8856
716 27B 0.8854
717 6ZE 0.8854
718 UL1 0.8854
719 DHC 0.8854
720 LJ4 0.8854
721 NIR 0.8852
722 91F 0.8850
723 27M 0.8850
724 64F 0.8849
725 KYA 0.8849
726 IAC 0.8849
727 C53 0.8849
728 6WR 0.8848
729 4CF 0.8846
730 9H2 0.8846
731 3VQ 0.8845
732 6Q3 0.8845
733 B86 0.8845
734 B0K 0.8845
735 1A7 0.8845
736 OCZ 0.8845
737 VXX 0.8844
738 1VK 0.8843
739 TB8 0.8842
740 F4K 0.8842
741 CR1 0.8842
742 ODK 0.8842
743 XTS 0.8841
744 AJD 0.8841
745 DUR 0.8841
746 3G3 0.8840
747 GJB 0.8840
748 26A 0.8840
749 TR4 0.8840
750 428 0.8840
751 DCF 0.8840
752 08C 0.8838
753 T98 0.8837
754 GHM 0.8836
755 IOS 0.8835
756 3WL 0.8834
757 92G 0.8834
758 ET0 0.8833
759 8NB 0.8833
760 2MQ 0.8833
761 H7S 0.8832
762 QIF 0.8832
763 B2L 0.8831
764 WDW 0.8831
765 GMP 0.8831
766 KLS 0.8830
767 RHN 0.8829
768 2LY 0.8828
769 3DT 0.8828
770 56N 0.8828
771 CG8 0.8827
772 M4N 0.8825
773 NPA 0.8825
774 9GP 0.8824
775 BNX 0.8824
776 8RK 0.8823
777 ALE 0.8822
778 2FA 0.8822
779 5RO 0.8820
780 12T 0.8820
781 E9P 0.8820
782 YIH 0.8819
783 SWX 0.8819
784 RCV 0.8819
785 GI1 0.8819
786 5O5 0.8818
787 9FE 0.8817
788 JYT 0.8817
789 CP7 0.8817
790 MPK 0.8816
791 2QC 0.8816
792 TYR 0.8816
793 DNF 0.8815
794 MFZ 0.8814
795 Q8G 0.8814
796 27K 0.8814
797 3LJ 0.8813
798 TYP 0.8812
799 BEU 0.8810
800 ZIQ 0.8809
801 NDG 0.8809
802 MI2 0.8808
803 68B 0.8808
804 M6Z 0.8807
805 BHQ 0.8806
806 A4N 0.8806
807 HA5 0.8806
808 KW8 0.8804
809 DTY 0.8804
810 X11 0.8803
811 DNA 0.8803
812 NPL 0.8803
813 PK3 0.8802
814 6X9 0.8802
815 3VW 0.8800
816 N18 0.8800
817 L03 0.8799
818 D6G 0.8799
819 BPU 0.8798
820 S7S 0.8798
821 4G2 0.8796
822 TJM 0.8796
823 VM1 0.8796
824 MR5 0.8795
825 6WL 0.8794
826 2L1 0.8794
827 5XM 0.8794
828 IQZ 0.8794
829 IS2 0.8794
830 GB5 0.8793
831 GLP 0.8793
832 A6P 0.8793
833 BHM 0.8793
834 LO1 0.8793
835 CH8 0.8793
836 UN9 0.8792
837 4EU 0.8791
838 Z94 0.8791
839 ALX 0.8791
840 1EL 0.8790
841 0LA 0.8789
842 GOE 0.8789
843 6CR 0.8789
844 NXB 0.8788
845 0ON 0.8788
846 TNX 0.8788
847 I4D 0.8788
848 LAH 0.8787
849 DDC 0.8787
850 7I2 0.8787
851 3JC 0.8787
852 TXW 0.8787
853 FTU 0.8786
854 YIP 0.8786
855 RCM 0.8786
856 8W9 0.8783
857 9CA 0.8783
858 AJY 0.8782
859 38E 0.8781
860 4ZF 0.8780
861 CFA 0.8779
862 JFS 0.8779
863 IXM 0.8779
864 PF1 0.8779
865 NQH 0.8779
866 MAJ 0.8778
867 JMG 0.8777
868 A4V 0.8777
869 PUE 0.8777
870 6J9 0.8776
871 Q9P 0.8776
872 51Y 0.8775
873 3XH 0.8774
874 0LO 0.8774
875 9FL 0.8774
876 K44 0.8773
877 EAJ 0.8772
878 GC2 0.8771
879 5XK 0.8771
880 XRS 0.8771
881 1UZ 0.8770
882 613 0.8768
883 N4E 0.8768
884 M6D 0.8768
885 5TT 0.8767
886 UFO 0.8767
887 1IT 0.8767
888 SOV 0.8766
889 5ID 0.8766
890 0DN 0.8765
891 FM2 0.8764
892 ISC 0.8764
893 SGW 0.8763
894 IYR 0.8763
895 CFE 0.8762
896 QUB 0.8762
897 8HH 0.8762
898 2JK 0.8761
899 M2E 0.8760
900 ANB 0.8760
901 ESX 0.8759
902 1SV 0.8759
903 EN1 0.8758
904 LOG 0.8757
905 L22 0.8757
906 9NB 0.8757
907 K25 0.8757
908 DEW 0.8755
909 4AF 0.8755
910 AGI 0.8755
911 NU3 0.8754
912 50C 0.8754
913 Y3J 0.8753
914 6E8 0.8753
915 AUV 0.8753
916 J1K 0.8753
917 J3Z 0.8753
918 PTS 0.8752
919 CKA 0.8752
920 PCQ 0.8751
921 CU8 0.8751
922 536 0.8751
923 AZY 0.8751
924 69K 0.8751
925 XYS XYS 0.8751
926 CLI 0.8751
927 3QI 0.8750
928 XYP XYS 0.8750
929 PNP 0.8749
930 RPP 0.8748
931 8UY 0.8747
932 CBE 0.8747
933 MCY 0.8747
934 AZM 0.8747
935 8ZE 0.8747
936 4MP 0.8747
937 2LW 0.8746
938 372 0.8745
939 W29 0.8745
940 MJW 0.8745
941 XDK 0.8744
942 DT9 0.8744
943 U7E 0.8744
944 OTA 0.8744
945 GRX 0.8743
946 QBP 0.8743
947 CEG 0.8743
948 M83 0.8743
949 M3E 0.8742
950 1OT 0.8742
951 V13 0.8741
952 ALR 0.8741
953 1YO 0.8740
954 ZYV 0.8740
955 M3Q 0.8740
956 CSN 0.8740
957 WG8 0.8739
958 4NP 0.8739
959 Q11 0.8738
960 0OL 0.8738
961 244 0.8737
962 EGR 0.8737
963 6VW 0.8737
964 0HO 0.8737
965 A4T 0.8737
966 2KU 0.8736
967 GJW 0.8736
968 96U 0.8736
969 NGA 0.8736
970 80G 0.8735
971 D87 0.8735
972 G14 0.8735
973 B98 0.8734
974 3RP 0.8734
975 CC6 0.8732
976 TID 0.8732
977 K3D 0.8731
978 DCZ 0.8731
979 A8D 0.8730
980 1KX 0.8730
981 JHY 0.8730
982 34L 0.8729
983 F01 0.8729
984 BJ4 0.8725
985 5H6 0.8725
986 KLK 0.8725
987 K68 0.8725
988 CLZ 0.8725
989 9B3 0.8724
990 CUH 0.8724
991 2AN 0.8723
992 HHV 0.8723
993 R9Y 0.8722
994 GC3 0.8722
995 6NI 0.8722
996 5FL 0.8720
997 ASD 0.8720
998 GJG 0.8719
999 5F8 0.8719
1000 A5E 0.8719
1001 UQ1 0.8718
1002 FTV 0.8715
1003 1V8 0.8715
1004 TYC 0.8715
1005 AKD 0.8714
1006 4FP 0.8714
1007 9F8 0.8714
1008 7FZ 0.8714
1009 1F1 0.8714
1010 5LA 0.8714
1011 H70 0.8713
1012 8V8 0.8712
1013 GAL FUC 0.8712
1014 H5B 0.8711
1015 TLG 0.8710
1016 0XT 0.8710
1017 ATX 0.8709
1018 HC4 0.8709
1019 AAN 0.8708
1020 36M 0.8707
1021 AON 0.8707
1022 ESP 0.8706
1023 NHT 0.8706
1024 DQU 0.8706
1025 GF4 0.8705
1026 DX7 0.8704
1027 ST3 0.8703
1028 QX4 0.8702
1029 NE1 0.8700
1030 F2W 0.8699
1031 HJH 0.8699
1032 JAW 0.8699
1033 6ME 0.8699
1034 4MB 0.8698
1035 0QA 0.8697
1036 WVV 0.8695
1037 L07 0.8694
1038 4F8 0.8694
1039 HNL 0.8693
1040 JPQ 0.8692
1041 977 0.8691
1042 PFF 0.8691
1043 878 0.8689
1044 0HN 0.8689
1045 6J3 0.8689
1046 IA2 0.8688
1047 Q9T 0.8685
1048 KU1 0.8685
1049 E7S 0.8684
1050 IQQ 0.8684
1051 IIH 0.8683
1052 KCH 0.8683
1053 BZE 0.8681
1054 K75 0.8680
1055 DDU 0.8680
1056 BZ2 0.8680
1057 C09 0.8679
1058 VYM 0.8679
1059 96R 0.8679
1060 5NI 0.8679
1061 PJW 0.8678
1062 7G2 0.8677
1063 OPA 0.8677
1064 STX 0.8675
1065 28B 0.8675
1066 NWW 0.8675
1067 JDN 0.8675
1068 BY5 0.8675
1069 802 0.8675
1070 KLE 0.8674
1071 6DH 0.8674
1072 BDJ 0.8674
1073 64E 0.8673
1074 ESZ 0.8671
1075 7O4 0.8671
1076 531 0.8671
1077 JB8 0.8671
1078 MAG 0.8670
1079 72E 0.8669
1080 3A9 0.8669
1081 TIY 0.8669
1082 GAT 0.8669
1083 RFZ 0.8667
1084 VJJ 0.8667
1085 DKZ 0.8666
1086 WOE 0.8666
1087 CTN 0.8666
1088 TCL 0.8665
1089 3TV 0.8664
1090 LZJ 0.8664
1091 MG7 0.8663
1092 4NS 0.8663
1093 IPD 0.8663
1094 ST1 0.8662
1095 P81 0.8661
1096 PPY 0.8661
1097 FHI 0.8660
1098 ZYW 0.8660
1099 RKY 0.8659
1100 ICB 0.8659
1101 PH3 0.8657
1102 6NT 0.8657
1103 MQU 0.8655
1104 5NE 0.8655
1105 SX3 0.8655
1106 I59 0.8654
1107 MOK 0.8654
1108 AP4 0.8654
1109 9VQ 0.8654
1110 SRO 0.8653
1111 1Z6 0.8652
1112 4I5 0.8651
1113 5F5 0.8651
1114 CH9 0.8651
1115 205 0.8650
1116 17M 0.8650
1117 MTA 0.8650
1118 6MW 0.8650
1119 COL 0.8649
1120 6ZX 0.8649
1121 A51 0.8649
1122 5SD 0.8649
1123 Q4G 0.8648
1124 LEL 0.8648
1125 55D 0.8648
1126 6JO 0.8647
1127 A7K 0.8646
1128 LFQ 0.8646
1129 CLU 0.8646
1130 72D 0.8645
1131 SDN 0.8645
1132 A2G 0.8644
1133 DFV 0.8643
1134 38B 0.8643
1135 MZR 0.8643
1136 LC1 0.8642
1137 AOX 0.8640
1138 MBY 0.8638
1139 CCV 0.8638
1140 QUS 0.8638
1141 TES 0.8637
1142 J6W 0.8636
1143 BRY 0.8636
1144 BIH 0.8636
1145 PRF 0.8636
1146 88X 0.8636
1147 TSS 0.8635
1148 S8J 0.8635
1149 0OP 0.8634
1150 0FO 0.8633
1151 GT1 0.8633
1152 SNV 0.8632
1153 DX6 0.8632
1154 L1T 0.8631
1155 FC3 0.8630
1156 8CC 0.8628
1157 5E4 0.8628
1158 NAR 0.8628
1159 NBG 0.8627
1160 4BF 0.8626
1161 TI7 0.8626
1162 RYV 0.8625
1163 GI3 0.8625
1164 PQ0 0.8625
1165 EXX 0.8624
1166 VIB 0.8624
1167 CWE 0.8623
1168 JMQ 0.8621
1169 WA1 0.8621
1170 R7T 0.8620
1171 774 0.8619
1172 44W 0.8619
1173 DNC 0.8618
1174 MBT 0.8616
1175 4FC 0.8612
1176 6XC 0.8611
1177 JXW 0.8611
1178 LVD 0.8611
1179 MVN 0.8610
1180 3XR 0.8610
1181 YO5 0.8610
1182 2KA 0.8609
1183 X6P 0.8608
1184 P80 0.8608
1185 NFM 0.8608
1186 535 0.8607
1187 4CM 0.8607
1188 SU9 0.8604
1189 LU2 0.8603
1190 67Y 0.8602
1191 7A9 0.8601
1192 S8A 0.8601
1193 HX4 0.8600
1194 3NY 0.8600
1195 BIE 0.8599
1196 ALN 0.8599
1197 D3G 0.8597
1198 NLA 0.8597
1199 36E 0.8595
1200 LIP 0.8594
1201 11X 0.8594
1202 8OB 0.8593
1203 QBM 0.8591
1204 DHT 0.8591
1205 GVI 0.8590
1206 2ZM 0.8590
1207 KY3 0.8589
1208 PBQ 0.8589
1209 DX3 0.8589
1210 6C9 0.8586
1211 MSR 0.8586
1212 AGV 0.8585
1213 ESL 0.8585
1214 4LW 0.8585
1215 K82 0.8585
1216 BM3 0.8582
1217 I3E 0.8582
1218 XM5 0.8581
1219 MTS 0.8580
1220 A1Y 0.8579
1221 N2I 0.8579
1222 GF1 0.8579
1223 DBQ 0.8579
1224 MQR 0.8577
1225 TZM 0.8577
1226 BRH 0.8577
1227 0W1 0.8576
1228 AOM 0.8572
1229 FBC 0.8572
1230 JAK 0.8570
1231 0XR 0.8568
1232 TLE 0.8567
1233 XHP 0.8566
1234 AOI 0.8566
1235 DCN 0.8565
1236 W8G 0.8564
1237 STT 0.8563
1238 TWO 0.8557
1239 IM5 0.8556
1240 AND 0.8555
1241 OSB 0.8553
1242 7KB 0.8552
1243 2UZ 0.8549
1244 GG8 0.8548
1245 6JM 0.8546
1246 S62 0.8545
1247 RH1 0.8543
1248 9RM 0.8542
1249 LVE 0.8541
1250 H52 0.8541
1251 J84 0.8541
1252 BX4 0.8540
1253 ADL 0.8540
1254 TT4 0.8538
1255 MER 0.8538
1256 QUE 0.8537
1257 ABF 0.8532
1258 R18 0.8527
1259 TQU 0.8527
1260 2OX 0.8521
1261 AJ6 0.8520
1262 51P 0.8518
1263 1PS 0.8516
1264 B2X 0.8516
1265 URI 0.8515
1266 KJ5 0.8514
1267 A4Q 0.8514
1268 4LV 0.8504
1269 AVO 0.8503
Ligand no: 2; Ligand: M48; Similar ligands found: 13
No: Ligand Similarity coefficient
1 9OM 0.9472
2 9OS 0.9202
3 9OG 0.8972
4 9OJ 0.8917
5 F35 0.8917
6 M85 0.8825
7 TUE 0.8765
8 2SN 0.8729
9 FYC 0.8676
10 EN2 0.8612
11 OS7 0.8589
12 8VJ 0.8587
13 VU3 0.8574
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CFT; Ligand: H4B; 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: 4cft.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4CFT; Ligand: M48; 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: 4cft.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4CFT; Ligand: M48; 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: 4cft.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4CFT; Ligand: H4B; 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: 4cft.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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