Receptor
PDB id Resolution Class Description Source Keywords
1rs2 2.31 Å EC: 4.1.2.25 DHNA COMPLEX WITH 8-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-2,6 STAPHYLOCOCCUS AUREUS DHNA 78-DIHYDRONEOP8-AMINO-13-DIMETHYL-37-DIHYDROPURINE-DIONETERIN ALDOLASE LYASE
Ref.: DISCOVERY OF POTENT INHIBITORS OF DIHYDRONEOPTERIN USING CRYSTALEAD HIGH-THROUGHPUT X-RAY CRYSTALLOGRA SCREENING AND STRUCTURE-DIRECTED LEAD OPTIMIZATION. J.MED.CHEM. V. 47 1709 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
209 A:1001;
 Valid;
 none;
 ic50 = 50 uM
195.179 C7 H9 N5 O2 CN1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RSD 2.5 Å EC: 4.1.2.25 DHNA COMPLEX WITH 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5- D]PYRIMIDIN-2-YL)-N-[2-(2-HYDROXYMETHYL-PHENYLSULFANYL)-BENB ENZAMIDE STAPHYLOCOCCUS AUREUS DHNA 78-DIHYDRONEOPTERIN ALDOLASE 3-(5-AMINO-7-HYDROXY-[13]TRIAZOLO[45-D]PYRIMIDIN-2-YL)-N-[2-(2-HYDROXYMETHYL- PHENYLSULFANYL)-BENZYL]-BENZAMIDE LYASE
Ref.: DISCOVERY OF POTENT INHIBITORS OF DIHYDRONEOPTERIN USING CRYSTALEAD HIGH-THROUGHPUT X-RAY CRYSTALLOGRA SCREENING AND STRUCTURE-DIRECTED LEAD OPTIMIZATION. J.MED.CHEM. V. 47 1709 2004
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2NM3 - MPU C9 H11 N5 O4 c1c(nc2c(n....
2 1RRW ic50 = 28 uM 9MG C6 H7 N5 O Cn1cnc2c1n....
3 1RSD ic50 = 0.3 uM PSB C25 H21 N7 O3 S c1ccc(c(c1....
4 2DHN - PH2 C7 H9 N5 O2 C1C(=NC2=C....
5 1RRI ic50 = 1.5 uM A45 C11 H8 N6 O3 c1cc(cc(c1....
6 1RSI ic50 = 38 uM 977 C10 H8 Br N3 O c1ccc(cc1)....
7 2NM2 - NEU C9 H11 N5 O4 c1c(nc2c(n....
8 1RS2 ic50 = 50 uM 209 C7 H9 N5 O2 CN1c2c(nc(....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2NM3 - MPU C9 H11 N5 O4 c1c(nc2c(n....
2 1RRW ic50 = 28 uM 9MG C6 H7 N5 O Cn1cnc2c1n....
3 1RSD ic50 = 0.3 uM PSB C25 H21 N7 O3 S c1ccc(c(c1....
4 2DHN - PH2 C7 H9 N5 O2 C1C(=NC2=C....
5 1RRI ic50 = 1.5 uM A45 C11 H8 N6 O3 c1cc(cc(c1....
6 1RSI ic50 = 38 uM 977 C10 H8 Br N3 O c1ccc(cc1)....
7 2NM2 - NEU C9 H11 N5 O4 c1c(nc2c(n....
8 1RS2 ic50 = 50 uM 209 C7 H9 N5 O2 CN1c2c(nc(....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1SQL - GUN C5 H5 N5 O c1[nH]c2c(....
2 2NM3 - MPU C9 H11 N5 O4 c1c(nc2c(n....
3 1RRW ic50 = 28 uM 9MG C6 H7 N5 O Cn1cnc2c1n....
4 1RSD ic50 = 0.3 uM PSB C25 H21 N7 O3 S c1ccc(c(c1....
5 2DHN - PH2 C7 H9 N5 O2 C1C(=NC2=C....
6 1RRI ic50 = 1.5 uM A45 C11 H8 N6 O3 c1cc(cc(c1....
7 1RSI ic50 = 38 uM 977 C10 H8 Br N3 O c1ccc(cc1)....
8 2NM2 - NEU C9 H11 N5 O4 c1c(nc2c(n....
9 1RS2 ic50 = 50 uM 209 C7 H9 N5 O2 CN1c2c(nc(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 209; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 209 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 209; Similar ligands found: 933
No: Ligand Similarity coefficient
1 H33 0.9981
2 9KT 0.9814
3 LI6 0.9791
4 TEP 0.9759
5 K32 0.9731
6 G3F 0.9730
7 BGC 0.9727
8 K22 0.9694
9 GLC 0.9654
10 8S0 0.9645
11 GCS 0.9598
12 AZ9 0.9582
13 B57 0.9580
14 0N7 0.9568
15 2FQ 0.9561
16 RXA 0.9560
17 CFF 0.9554
18 NTZ 0.9550
19 HQD 0.9542
20 VK3 0.9541
21 NQ 0.9540
22 TBS 0.9522
23 K17 0.9513
24 URC 0.9513
25 DPZ 0.9507
26 GAL 0.9503
27 NDM 0.9498
28 BEA 0.9469
29 SHG 0.9466
30 PFB 0.9459
31 IV2 0.9458
32 APZ 0.9450
33 4ME 0.9448
34 4KL 0.9445
35 XAZ 0.9422
36 LGC 0.9422
37 B55 0.9419
38 NOJ 0.9417
39 BTY 0.9414
40 GCU 0.9413
41 K3Q 0.9409
42 8XQ 0.9406
43 680 0.9400
44 8TX 0.9399
45 AEZ 0.9395
46 PHH 0.9394
47 TTY 0.9393
48 GIM 0.9392
49 75K 0.9387
50 CLZ 0.9384
51 6RQ 0.9377
52 5WY 0.9376
53 A7W 0.9376
54 K37 0.9376
55 FLV 0.9374
56 5JQ 0.9368
57 HNQ 0.9362
58 TTL 0.9359
59 DNC 0.9355
60 12B 0.9352
61 HTP 0.9351
62 UFO 0.9350
63 3MG 0.9349
64 PQ0 0.9348
65 226 0.9346
66 N8Y 0.9344
67 5RO 0.9344
68 3PF 0.9343
69 LKA 0.9343
70 OTW 0.9328
71 PYQ 0.9325
72 5JL 0.9323
73 J9Q 0.9318
74 8IG 0.9317
75 FDB 0.9315
76 0FO 0.9312
77 XHP 0.9310
78 ZYR 0.9310
79 DIN 0.9309
80 97T 0.9308
81 UAN 0.9306
82 4AA 0.9305
83 6VD 0.9305
84 DQU 0.9301
85 B60 0.9301
86 MRW 0.9300
87 DNF 0.9299
88 QX4 0.9297
89 0P6 0.9294
90 BDP 0.9294
91 12Q 0.9292
92 5WU 0.9290
93 7NI 0.9289
94 Z5P 0.9288
95 2H5 0.9288
96 PH2 0.9283
97 JTH 0.9282
98 B62 0.9282
99 2ZQ 0.9281
100 37T 0.9281
101 PX7 0.9280
102 NID 0.9278
103 7ZE 0.9277
104 6BL 0.9275
105 KUF 0.9272
106 SYA 0.9270
107 PRF 0.9269
108 CWS 0.9268
109 K6X 0.9266
110 MT0 0.9265
111 AZ8 0.9265
112 Q6T 0.9265
113 8CM 0.9263
114 5QX 0.9263
115 AJ2 0.9261
116 ISE 0.9259
117 FOT 0.9258
118 3HA 0.9257
119 KT7 0.9255
120 KYA 0.9255
121 MAQ 0.9252
122 44W 0.9252
123 E7S 0.9252
124 MUA 0.9251
125 MVL 0.9250
126 AY4 0.9250
127 AJV 0.9250
128 7B3 0.9248
129 0FK 0.9248
130 X8D 0.9247
131 5QY 0.9246
132 2KA 0.9244
133 HZQ 0.9242
134 MVN 0.9241
135 G3E 0.9239
136 PXL 0.9239
137 82I 0.9236
138 OA3 0.9236
139 M5K 0.9236
140 2LY 0.9236
141 8HC 0.9235
142 INE 0.9234
143 EVA 0.9234
144 PEY 0.9233
145 CTS 0.9232
146 2D0 0.9232
147 MEW 0.9232
148 92P 0.9232
149 HQT 0.9231
150 44V 0.9230
151 N3W 0.9230
152 PE0 0.9229
153 HJP 0.9225
154 3F0 0.9224
155 92K 0.9224
156 SE2 0.9223
157 AKH 0.9223
158 K8X 0.9223
159 ZVO 0.9220
160 CWM 0.9219
161 4MU 0.9218
162 C2Y 0.9217
163 3IT 0.9216
164 J5I 0.9212
165 JR2 0.9212
166 GCB 0.9212
167 SYV 0.9211
168 495 0.9210
169 ES0 0.9209
170 D48 0.9208
171 Q24 0.9206
172 JG8 0.9204
173 M1Q 0.9203
174 Q88 0.9200
175 7W1 0.9199
176 FDR 0.9197
177 AQO 0.9196
178 VNL 0.9196
179 QPR 0.9194
180 AA 0.9194
181 JUG 0.9193
182 8W9 0.9193
183 EA1 0.9193
184 TOF 0.9193
185 M2K 0.9192
186 4RU 0.9191
187 K25 0.9188
188 RPQ 0.9188
189 LDR 0.9187
190 QWW 0.9186
191 JBK 0.9186
192 DNA 0.9183
193 9MG 0.9183
194 G1O 0.9181
195 DMD 0.9180
196 4HC 0.9175
197 GZL 0.9175
198 QX2 0.9174
199 42C 0.9174
200 JU2 0.9173
201 537 0.9172
202 ICO 0.9172
203 DBH 0.9172
204 UEG 0.9172
205 XAN 0.9171
206 HKD 0.9171
207 2AK 0.9167
208 BPY 0.9167
209 7VJ 0.9164
210 9DG 0.9162
211 M4E 0.9161
212 2EC 0.9161
213 7WR 0.9160
214 3ID 0.9157
215 1HN 0.9155
216 V1T 0.9153
217 ANF 0.9151
218 9FL 0.9151
219 GUN 0.9151
220 GIO 0.9150
221 AZA 0.9150
222 EMZ 0.9150
223 4M0 0.9145
224 NAG 0.9145
225 J9W 0.9144
226 6ME 0.9144
227 GJP 0.9143
228 39A 0.9142
229 G2F 0.9142
230 15N 0.9142
231 DHK 0.9142
232 B53 0.9142
233 E1K 0.9140
234 9AP 0.9138
235 5WX 0.9137
236 GLA 0.9137
237 15L 0.9136
238 R9Y 0.9135
239 VXX 0.9134
240 M6N 0.9132
241 GNM 0.9129
242 H5B 0.9128
243 CH9 0.9126
244 0JD 0.9125
245 7VS 0.9124
246 GTR 0.9123
247 28N 0.9122
248 5RN 0.9121
249 BPU 0.9121
250 0F9 0.9120
251 3M0 0.9119
252 SOE 0.9119
253 F12 0.9118
254 IGA 0.9117
255 67N 0.9114
256 8ZE 0.9113
257 FA0 0.9113
258 SOR 0.9110
259 9R5 0.9109
260 141 0.9108
261 7I2 0.9107
262 GTZ 0.9106
263 3Z8 0.9106
264 GDE 0.9106
265 52C 0.9105
266 2D3 0.9104
267 FE DB1 0.9103
268 3WA 0.9103
269 DRG 0.9102
270 BSP 0.9102
271 5NE 0.9099
272 G1P 0.9098
273 MT5 0.9097
274 IJZ 0.9097
275 B56 0.9092
276 SKA 0.9090
277 EJZ 0.9090
278 CFP 0.9087
279 DOB 0.9087
280 5CU 0.9086
281 C9E 0.9085
282 4TU 0.9084
283 8NX 0.9083
284 AZG 0.9083
285 A2F 0.9082
286 ZZ8 0.9081
287 5NU 0.9081
288 3J8 0.9080
289 G12 0.9079
290 QBK 0.9079
291 GF4 0.9077
292 NDG 0.9077
293 BHA 0.9077
294 TWO 0.9076
295 PRZ 0.9076
296 9CA 0.9075
297 INS 0.9074
298 KJY 0.9072
299 DRL 0.9070
300 X05 0.9069
301 15E 0.9069
302 C2U 0.9067
303 MS9 0.9064
304 N2I 0.9064
305 SHA 0.9063
306 GRE 0.9062
307 YH7 0.9062
308 1IT 0.9062
309 F1A 0.9061
310 5Q0 0.9061
311 1KP 0.9060
312 03V 0.9060
313 KDV 0.9059
314 IBM 0.9059
315 GI3 0.9058
316 YSO 0.9057
317 XFE 0.9056
318 344 0.9055
319 HHS 0.9054
320 6AP 0.9052
321 ET2 0.9051
322 HHR 0.9050
323 KIF 0.9049
324 4AN 0.9047
325 THA 0.9047
326 6GU 0.9047
327 E1T 0.9046
328 JBQ 0.9046
329 ESI 0.9046
330 GOX 0.9045
331 2JK 0.9044
332 1NP 0.9044
333 290 0.9044
334 0HO 0.9043
335 PXM 0.9043
336 TSS 0.9041
337 23A 0.9040
338 HQY 0.9040
339 4XV 0.9040
340 O2A 0.9039
341 ONR 0.9038
342 BK9 0.9037
343 5SG 0.9037
344 AIN 0.9037
345 8GK 0.9036
346 1X7 0.9035
347 XQ0 0.9034
348 QWN 0.9033
349 3FH 0.9033
350 N5J 0.9032
351 ODO 0.9031
352 1XM 0.9031
353 DK1 0.9031
354 HHA 0.9030
355 Q71 0.9030
356 GIV 0.9030
357 DX4 0.9029
358 6M1 0.9029
359 ES2 0.9028
360 CLW 0.9027
361 X0W 0.9027
362 ES1 0.9025
363 R8V 0.9025
364 G5V 0.9024
365 M1A 0.9024
366 2K8 0.9024
367 7MX 0.9023
368 ES5 0.9022
369 5IQ 0.9022
370 1P8 0.9021
371 KIB 0.9020
372 GV9 0.9017
373 BMA 0.9016
374 0CU 0.9014
375 FBB 0.9014
376 4JQ 0.9013
377 M0W 0.9012
378 4FS 0.9011
379 27B 0.9011
380 ASO 0.9010
381 8WT 0.9009
382 TIY 0.9009
383 293 0.9008
384 KJH 0.9007
385 KJU 0.9007
386 PDC 0.9007
387 4YS 0.9006
388 3QV 0.9006
389 5XC 0.9005
390 MBG 0.9004
391 HFB 0.9004
392 24W 0.9004
393 7HQ 0.9004
394 GTQ 0.9003
395 OMD 0.9003
396 IAC 0.9002
397 582 0.9002
398 1SQ 0.9002
399 VGD 0.9002
400 HBO 0.9001
401 12T 0.9001
402 HA5 0.9001
403 0HN 0.9000
404 INO 0.9000
405 I6G 0.8999
406 54X 0.8998
407 GHM 0.8997
408 4XS 0.8997
409 O72 0.8997
410 32X 0.8995
411 6F0 0.8995
412 5VM 0.8995
413 COU 0.8995
414 36R 0.8994
415 BOA 0.8994
416 ADA 0.8993
417 86J 0.8992
418 PJW 0.8991
419 NNO 0.8991
420 1LM 0.8991
421 K2T 0.8991
422 KIA 0.8991
423 1GN 0.8990
424 NGO 0.8990
425 1LQ 0.8990
426 UNC 0.8990
427 3GQ 0.8989
428 ADZ 0.8989
429 30G 0.8989
430 6QF 0.8986
431 I3A 0.8985
432 5NS 0.8981
433 2AQ 0.8981
434 3RI 0.8979
435 2ZM 0.8978
436 06B 0.8977
437 AX3 0.8977
438 149 0.8976
439 AN3 0.8976
440 KBG 0.8974
441 FBG 0.8974
442 HIS 0.8974
443 JKZ 0.8973
444 DIU 0.8972
445 SXS 0.8972
446 V55 0.8972
447 OCH 0.8972
448 JPZ 0.8971
449 DHB 0.8971
450 H42 0.8969
451 BNT 0.8968
452 MQN 0.8966
453 HLZ 0.8966
454 2ZV 0.8965
455 PCI 0.8965
456 MO8 0.8964
457 DQN 0.8962
458 3DM 0.8962
459 39O 0.8962
460 D07 0.8962
461 5OB 0.8961
462 2HQ 0.8960
463 K44 0.8959
464 4NC 0.8959
465 J9T 0.8959
466 6NT 0.8958
467 1XA 0.8955
468 CWJ 0.8954
469 XXP 0.8954
470 JB5 0.8952
471 8MO 0.8951
472 JP2 0.8950
473 XQK 0.8950
474 BZ3 0.8949
475 QXW 0.8948
476 2FY 0.8948
477 M0Q 0.8946
478 4HM 0.8946
479 HQJ 0.8945
480 2HU 0.8944
481 JLZ 0.8943
482 7B4 0.8942
483 68A 0.8941
484 KGK 0.8941
485 NDH 0.8940
486 LZM 0.8940
487 XX2 0.8937
488 SWA 0.8935
489 F0J 0.8934
490 ABI 0.8934
491 QAS 0.8933
492 3A9 0.8932
493 A29 0.8931
494 TQU 0.8931
495 DHQ 0.8930
496 8WO 0.8930
497 P9P 0.8930
498 3HM 0.8930
499 NVU 0.8929
500 FHB 0.8928
501 X0U 0.8927
502 Q77 0.8926
503 4A3 0.8925
504 ANC 0.8925
505 MYJ 0.8923
506 GJS 0.8923
507 HH5 0.8923
508 GSY 0.8923
509 SKM 0.8922
510 6CS 0.8922
511 CKA 0.8922
512 1F1 0.8922
513 GM7 0.8922
514 6NI 0.8922
515 GAF 0.8921
516 WOO 0.8920
517 DBJ 0.8920
518 5NI 0.8920
519 2FG 0.8919
520 P3K 0.8919
521 MIG 0.8918
522 39U 0.8918
523 94W 0.8915
524 F9Y 0.8914
525 2AL 0.8913
526 2HO 0.8912
527 AJY 0.8912
528 4XH 0.8912
529 XIY 0.8912
530 3NY 0.8910
531 5VL 0.8910
532 X6X 0.8909
533 261 0.8909
534 M1E 0.8909
535 FGZ 0.8909
536 M6Z 0.8909
537 JA8 0.8909
538 F31 0.8908
539 MT8 0.8908
540 5M0 0.8907
541 42A 0.8907
542 F2W 0.8906
543 KTW 0.8905
544 93K 0.8904
545 BCP 0.8904
546 ALL 0.8902
547 KFH 0.8902
548 18N 0.8902
549 XQG 0.8901
550 1M2 0.8900
551 CTL 0.8900
552 RM1 0.8900
553 PQK 0.8897
554 ARP 0.8896
555 5RG 0.8896
556 5GU 0.8895
557 GXL 0.8895
558 0W1 0.8893
559 0FN 0.8893
560 57O 0.8891
561 FDK 0.8890
562 3Y7 0.8890
563 E7Z 0.8890
564 DEE 0.8888
565 EV0 0.8887
566 0TU 0.8886
567 QAT 0.8886
568 LDP 0.8886
569 ISN 0.8885
570 DPT 0.8884
571 GOG 0.8884
572 NOY 0.8884
573 5TY 0.8883
574 EQT 0.8883
575 MAN 0.8882
576 M1H 0.8881
577 BZ2 0.8881
578 X09 0.8881
579 TT4 0.8880
580 ZB1 0.8880
581 KG1 0.8880
582 FH2 0.8879
583 B5D 0.8879
584 LT2 0.8879
585 N2Z 0.8878
586 XM5 0.8877
587 4YO 0.8874
588 6TZ 0.8874
589 HH8 0.8873
590 4M4 0.8872
591 5WV 0.8871
592 KKN 0.8870
593 AHR 0.8870
594 1A7 0.8869
595 L5V 0.8868
596 54G 0.8868
597 K5W 0.8868
598 CR1 0.8867
599 GZ8 0.8867
600 9FE 0.8866
601 LZ2 0.8865
602 9ZE 0.8864
603 M5H 0.8864
604 SYR 0.8862
605 FP1 0.8862
606 L7T 0.8861
607 EN1 0.8861
608 9TW 0.8861
609 SLS 0.8860
610 IBF 0.8859
611 N7I 0.8859
612 EXD 0.8858
613 F3B 0.8857
614 HLD 0.8856
615 CHB 0.8855
616 6XI 0.8855
617 1QV 0.8854
618 IFL 0.8854
619 NBG 0.8853
620 GDL 0.8853
621 AX7 0.8852
622 7W4 0.8851
623 MXX 0.8850
624 270 0.8849
625 LT8 0.8848
626 64C 0.8845
627 J6W 0.8844
628 MHK 0.8844
629 SRO 0.8843
630 MB1 0.8842
631 069 0.8841
632 4FH 0.8841
633 2F6 0.8840
634 GCW 0.8840
635 505 0.8840
636 JDN 0.8840
637 4Z4 0.8835
638 BE2 0.8833
639 2BG 0.8831
640 QSH 0.8830
641 EUG 0.8830
642 1X8 0.8829
643 FBT 0.8828
644 ZME 0.8826
645 FA3 0.8825
646 0W8 0.8824
647 7FF 0.8820
648 ADK 0.8820
649 ICB 0.8820
650 3MA 0.8817
651 P92 0.8814
652 2HC 0.8814
653 R6T 0.8813
654 AMG 0.8813
655 KLK 0.8812
656 L46 0.8811
657 ESP 0.8811
658 1QP 0.8811
659 Q7A 0.8810
660 SAL 0.8810
661 W81 0.8810
662 GO2 0.8810
663 ES7 0.8809
664 BBF 0.8803
665 BTE 0.8802
666 LIP 0.8802
667 2MI 0.8802
668 ZWZ 0.8800
669 5OF 0.8800
670 LAO 0.8800
671 6FZ 0.8800
672 FYU 0.8799
673 7MU 0.8799
674 1U1 0.8798
675 1P7 0.8798
676 PHT 0.8797
677 UFV 0.8796
678 YQA 0.8796
679 SX1 0.8795
680 ASC 0.8795
681 0GZ 0.8795
682 ABV 0.8794
683 GCO 0.8794
684 FUD 0.8791
685 49O 0.8790
686 SG2 0.8787
687 6MP 0.8786
688 ZZZ 0.8784
689 1DW 0.8783
690 5VJ 0.8782
691 GLT 0.8781
692 OXC 0.8780
693 7D2 0.8779
694 HPA 0.8778
695 9PY 0.8778
696 SQ7 0.8777
697 8WZ 0.8777
698 LNR 0.8776
699 ADE 0.8776
700 2CZ 0.8775
701 IHB 0.8775
702 BGU 0.8775
703 3R6 0.8773
704 BDF 0.8773
705 NLA 0.8772
706 R20 0.8772
707 IPB 0.8771
708 M1Z 0.8771
709 S60 0.8771
710 BA5 0.8770
711 4BY 0.8769
712 0XT 0.8768
713 4V6 0.8767
714 BZX 0.8767
715 7ME 0.8767
716 I4D 0.8767
717 MPV 0.8766
718 SQ4 0.8763
719 10L 0.8763
720 G6P 0.8761
721 ROI 0.8761
722 BZJ 0.8761
723 60Q 0.8761
724 TGX 0.8760
725 BIK 0.8757
726 4BL 0.8756
727 4SV 0.8756
728 IFP 0.8755
729 5MK 0.8754
730 1U6 0.8753
731 6R8 0.8753
732 JTA 0.8752
733 H6B 0.8752
734 3R4 0.8751
735 F81 0.8751
736 CKU 0.8751
737 JKE 0.8751
738 N91 0.8750
739 GXY 0.8750
740 F69 0.8749
741 BP1 0.8749
742 SJ5 0.8747
743 7HP 0.8746
744 KTJ 0.8745
745 DC5 0.8744
746 9DA 0.8744
747 9HX 0.8743
748 GYE 0.8741
749 4JT 0.8740
750 JF1 0.8740
751 KYD 0.8740
752 BCF 0.8739
753 23J 0.8738
754 3VX 0.8738
755 EGR 0.8738
756 3HB 0.8737
757 TH7 0.8737
758 173 0.8736
759 HMH 0.8735
760 JAW 0.8735
761 GNV 0.8735
762 67X 0.8735
763 NGT 0.8733
764 ORO 0.8733
765 NTM 0.8732
766 IOS 0.8732
767 MR1 0.8732
768 5B1 0.8731
769 JIF 0.8731
770 F5B 0.8731
771 DMJ 0.8730
772 H7Y 0.8730
773 14O 0.8729
774 A1Y 0.8729
775 DX3 0.8729
776 9TZ 0.8728
777 3ZB 0.8728
778 KOJ 0.8727
779 UNJ 0.8727
780 DGJ 0.8726
781 5H1 0.8724
782 428 0.8724
783 MOK 0.8724
784 TNF 0.8724
785 9UL 0.8723
786 2SX 0.8722
787 TNL 0.8721
788 ES6 0.8720
789 3TJ 0.8720
790 F5C 0.8719
791 6AI 0.8717
792 IPT 0.8717
793 D1X 0.8717
794 MZB 0.8716
795 2K4 0.8715
796 1XN 0.8714
797 NBV 0.8714
798 329 0.8714
799 F60 0.8712
800 GCV 0.8712
801 PIY 0.8712
802 2A9 0.8710
803 PD2 0.8709
804 2O6 0.8706
805 3U4 0.8706
806 PA1 0.8705
807 5MB 0.8701
808 8XL 0.8700
809 GAB 0.8699
810 7WA 0.8697
811 PHE 0.8695
812 9LI 0.8694
813 55D 0.8694
814 1Z8 0.8694
815 X0V 0.8691
816 6KT 0.8691
817 EKZ 0.8690
818 3C1 0.8690
819 4VS 0.8690
820 SWD 0.8689
821 4SX 0.8687
822 PIM 0.8685
823 QUZ 0.8683
824 L99 0.8682
825 YIO 0.8682
826 OVM 0.8681
827 FA6 0.8680
828 6DP 0.8680
829 JF2 0.8680
830 5MI 0.8680
831 NPY 0.8680
832 K68 0.8678
833 8GC 0.8677
834 878 0.8677
835 DOR 0.8676
836 MWP 0.8674
837 GI1 0.8674
838 EOL 0.8671
839 3AB 0.8670
840 GT0 0.8670
841 QMS 0.8670
842 ESX 0.8669
843 PNZ 0.8669
844 TXW 0.8668
845 NIZ 0.8667
846 HMU 0.8664
847 JXN 0.8663
848 FHC 0.8663
849 7WV 0.8663
850 ES9 0.8663
851 AMR 0.8662
852 DBX 0.8661
853 T6C 0.8661
854 GTL 0.8659
855 JBE 0.8658
856 ITE 0.8658
857 N0Z 0.8657
858 34D 0.8655
859 MMA 0.8655
860 JFD 0.8655
861 VOH 0.8653
862 DQA 0.8652
863 LYL 0.8652
864 11S 0.8651
865 ZZT 0.8651
866 UQ 0.8651
867 7MH 0.8651
868 SVD 0.8651
869 KJ5 0.8650
870 4P5 0.8650
871 61M 0.8647
872 1WC 0.8645
873 6M9 0.8645
874 IF7 0.8644
875 4NO 0.8642
876 FK1 0.8640
877 5HN 0.8640
878 AW5 0.8640
879 3NT 0.8639
880 1WD 0.8638
881 6X9 0.8637
882 OVV 0.8636
883 4A5 0.8634
884 4WL 0.8633
885 A13 0.8630
886 HPT 0.8630
887 H4N 0.8628
888 NPO 0.8628
889 LSA 0.8626
890 6FB 0.8625
891 DIE 0.8623
892 8NB 0.8622
893 JYB 0.8619
894 QIC 0.8619
895 96R 0.8617
896 JAE 0.8616
897 YTX 0.8610
898 4ZA 0.8609
899 363 0.8606
900 N2M 0.8606
901 KLW 0.8605
902 HBD 0.8603
903 36E 0.8600
904 A9P 0.8600
905 NMJ 0.8598
906 BHO 0.8597
907 L22 0.8596
908 4V2 0.8594
909 ANN 0.8593
910 GNY 0.8593
911 UXH 0.8591
912 3C2 0.8590
913 5WT 0.8590
914 TYL 0.8588
915 GNL 0.8586
916 HX3 0.8586
917 NSG 0.8586
918 ISZ 0.8586
919 64E 0.8586
920 MSR 0.8585
921 LOG 0.8583
922 8NY 0.8577
923 MFZ 0.8571
924 ZXD 0.8568
925 P7Y 0.8565
926 BRT 0.8551
927 826 0.8549
928 TFU 0.8549
929 4NB 0.8548
930 61O 0.8540
931 ALE 0.8540
932 22L 0.8530
933 IPD 0.8522
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RSD; Ligand: PSB; 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: 1rsd.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1RSD; Ligand: PSB; 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: 1rsd.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1RSD; Ligand: PSB; 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: 1rsd.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1RSD; Ligand: PSB; 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: 1rsd.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1RSD; Ligand: PSB; 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: 1rsd.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1RSD; Ligand: PSB; 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: 1rsd.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1RSD; Ligand: PSB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1rsd.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1RSD; Ligand: PSB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1rsd.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
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