Receptor
PDB id Resolution Class Description Source Keywords
2DHN 2.2 Å EC: 4.1.2.25 COMPLEX OF 7,8-DIHYDRONEOPTERIN ALDOLASE FROM STAPHYLOCOCCUS WITH 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 2.2 A RESOLUTION STAPHYLOCOCCUS AUREUS PRODUCT COMPLEX PTERINE BINDING FOLATE BIOSYNTHESIS ANTIBTARGET BETA-BARREL
Ref.: CRYSTAL STRUCTURE AND REACTION MECHANISM OF 7,8-DIHYDRONEOPTERIN ALDOLASE FROM STAPHYLOCOCCUS A NAT.STRUCT.BIOL. V. 5 357 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PH2 A:122;
Valid;
none;
submit data
195.179 C7 H9 N5 O2 C1C(=...
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: PH2; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PH2 1 1
2 2PH 0.55 0.830769
3 44W 0.5 0.857143
4 ZSP 0.482143 0.852459
5 78H 0.477612 0.898305
6 HBI 0.464286 0.852459
Similar Ligands (3D)
Ligand no: 1; Ligand: PH2; Similar ligands found: 1274
No: Ligand Similarity coefficient
1 HHR 1.0000
2 ZZZ 1.0000
3 DQU 0.9929
4 XHP 0.9910
5 OTW 0.9906
6 B62 0.9905
7 MVN 0.9904
8 2K8 0.9897
9 QX4 0.9892
10 0FO 0.9859
11 PRF 0.9834
12 HHS 0.9808
13 9R5 0.9803
14 44V 0.9789
15 6ME 0.9788
16 FDR 0.9774
17 N8Y 0.9744
18 PQ0 0.9711
19 4JQ 0.9674
20 0TU 0.9666
21 MQN 0.9665
22 2FQ 0.9649
23 4YO 0.9640
24 B56 0.9630
25 CLZ 0.9606
26 8HC 0.9595
27 0FK 0.9588
28 KUF 0.9587
29 UFO 0.9571
30 QBK 0.9571
31 N0Z 0.9560
32 0P6 0.9559
33 8CM 0.9551
34 CWS 0.9544
35 AJV 0.9538
36 B5D 0.9517
37 8W9 0.9515
38 ZYR 0.9514
39 BEA 0.9512
40 2HQ 0.9509
41 3Z8 0.9507
42 3QV 0.9504
43 344 0.9501
44 XAZ 0.9486
45 MUA 0.9485
46 2AK 0.9476
47 8MO 0.9474
48 2KA 0.9473
49 BTY 0.9472
50 BCU 0.9470
51 8NX 0.9468
52 DNA 0.9467
53 TGX 0.9461
54 HBO 0.9457
55 20J 0.9456
56 BPU 0.9454
57 APZ 0.9453
58 N2I 0.9453
59 6Q3 0.9447
60 B55 0.9447
61 8TX 0.9446
62 4KL 0.9444
63 2EC 0.9443
64 86J 0.9438
65 H5B 0.9436
66 Q71 0.9434
67 URC 0.9428
68 75K 0.9427
69 JF2 0.9416
70 8ZE 0.9416
71 GJP 0.9414
72 2LY 0.9412
73 8IG 0.9409
74 BNX 0.9408
75 4RU 0.9408
76 4TU 0.9407
77 KDV 0.9397
78 94W 0.9396
79 1HN 0.9396
80 68A 0.9394
81 5RO 0.9392
82 5TY 0.9391
83 INE 0.9391
84 JU2 0.9389
85 0JD 0.9386
86 LOG 0.9384
87 5JL 0.9384
88 Q77 0.9380
89 12T 0.9380
90 NAG 0.9379
91 FBB 0.9379
92 K2T 0.9376
93 WSD 0.9374
94 C9E 0.9372
95 KT7 0.9371
96 5JQ 0.9365
97 DRG 0.9364
98 GDL 0.9357
99 M1Q 0.9357
100 8WT 0.9353
101 R9Y 0.9351
102 AA 0.9349
103 92P 0.9349
104 428 0.9347
105 7AP 0.9346
106 BZJ 0.9344
107 15N 0.9337
108 C2Y 0.9334
109 9ZE 0.9334
110 V1T 0.9333
111 VXX 0.9333
112 MO8 0.9328
113 JND 0.9327
114 MRW 0.9323
115 ANF 0.9323
116 DIN 0.9323
117 JXZ 0.9322
118 H4B 0.9321
119 4HC 0.9320
120 J6W 0.9320
121 CWJ 0.9319
122 HKD 0.9319
123 6KT 0.9319
124 BIO 0.9318
125 DX3 0.9318
126 7B3 0.9316
127 ARP 0.9315
128 PYQ 0.9313
129 BGU 0.9310
130 B21 0.9309
131 S60 0.9309
132 E1T 0.9303
133 JF1 0.9302
134 ROI 0.9302
135 4ME 0.9302
136 JXW 0.9298
137 H2B 0.9298
138 3ZB 0.9298
139 K3Q 0.9297
140 AQO 0.9296
141 15E 0.9296
142 4AB 0.9294
143 1QP 0.9294
144 97T 0.9293
145 EOL 0.9290
146 A7W 0.9288
147 209 0.9283
148 GXY 0.9282
149 6E8 0.9282
150 MEW 0.9278
151 E7S 0.9275
152 UNJ 0.9274
153 M6N 0.9273
154 H33 0.9273
155 Q24 0.9272
156 J9W 0.9272
157 JG8 0.9271
158 2FY 0.9271
159 GCS 0.9271
160 VOH 0.9270
161 APS 0.9268
162 PEY 0.9268
163 MAQ 0.9267
164 N91 0.9267
165 N7I 0.9267
166 NID 0.9265
167 0N7 0.9260
168 AJ2 0.9260
169 8WO 0.9260
170 CH9 0.9258
171 M5K 0.9257
172 28N 0.9255
173 IV2 0.9255
174 K97 0.9255
175 KTW 0.9254
176 PE0 0.9253
177 5NE 0.9253
178 36R 0.9253
179 NGA 0.9251
180 HNT 0.9250
181 AJY 0.9248
182 THA 0.9248
183 ESI 0.9247
184 ST2 0.9245
185 7MU 0.9245
186 6VD 0.9243
187 MS9 0.9243
188 1SS 0.9241
189 X0U 0.9241
190 SLS 0.9241
191 KYA 0.9240
192 FDB 0.9240
193 27B 0.9240
194 0XT 0.9240
195 A7H 0.9239
196 5VM 0.9239
197 92K 0.9237
198 4BY 0.9236
199 537 0.9235
200 0FN 0.9235
201 MQG 0.9231
202 1A7 0.9231
203 CK2 0.9231
204 AZ8 0.9231
205 A29 0.9229
206 HA5 0.9228
207 AP4 0.9227
208 E35 0.9227
209 HQD 0.9226
210 LDR 0.9225
211 MAG 0.9223
212 4FS 0.9221
213 5WU 0.9220
214 B60 0.9220
215 TOF 0.9218
216 TT4 0.9218
217 AN3 0.9217
218 BGC 0.9217
219 2A9 0.9216
220 1KP 0.9212
221 DPZ 0.9210
222 ET2 0.9205
223 03V 0.9204
224 J9T 0.9204
225 2D0 0.9202
226 4M0 0.9202
227 G3F 0.9202
228 CLW 0.9199
229 9FL 0.9198
230 2AQ 0.9195
231 3J8 0.9195
232 ES5 0.9194
233 RZH 0.9192
234 DEE 0.9192
235 2BG 0.9191
236 BHS 0.9191
237 4BL 0.9191
238 8S0 0.9191
239 3VX 0.9190
240 E1K 0.9190
241 XQ0 0.9187
242 BZ3 0.9187
243 A2G 0.9186
244 BHA 0.9186
245 TTY 0.9185
246 RXA 0.9184
247 TWO 0.9184
248 46P 0.9182
249 H42 0.9180
250 LNR 0.9180
251 GHM 0.9178
252 6FB 0.9178
253 GNM 0.9177
254 DOB 0.9177
255 NDG 0.9177
256 GSY 0.9175
257 FA0 0.9175
258 5NS 0.9175
259 549 0.9174
260 GC3 0.9172
261 JTH 0.9171
262 5OB 0.9171
263 CK1 0.9168
264 ES2 0.9167
265 VK3 0.9166
266 1M2 0.9165
267 4MU 0.9165
268 OCH 0.9164
269 AZ9 0.9164
270 NQ 0.9164
271 QIV 0.9164
272 61M 0.9164
273 DRL 0.9163
274 OQC 0.9163
275 EN1 0.9163
276 JXN 0.9162
277 BK9 0.9162
278 9CA 0.9160
279 M4E 0.9160
280 0J5 0.9160
281 6RQ 0.9160
282 1P8 0.9159
283 5XC 0.9158
284 COU 0.9157
285 SJK 0.9157
286 TIY 0.9156
287 BBK 0.9156
288 EE8 0.9155
289 TSS 0.9153
290 6QF 0.9152
291 I3A 0.9152
292 1IT 0.9150
293 3MG 0.9149
294 MD6 0.9149
295 4VS 0.9149
296 0HO 0.9148
297 9AP 0.9148
298 8XL 0.9147
299 1F1 0.9147
300 BPY 0.9146
301 JYT 0.9143
302 0FR 0.9142
303 JBZ 0.9142
304 KTJ 0.9142
305 EGR 0.9141
306 GO2 0.9141
307 1P7 0.9139
308 UAN 0.9139
309 J9Q 0.9138
310 BDP 0.9136
311 30G 0.9135
312 ICO 0.9133
313 5NI 0.9132
314 4I8 0.9132
315 GO8 0.9131
316 KIB 0.9129
317 5GV 0.9128
318 6NT 0.9128
319 3NY 0.9128
320 ODO 0.9127
321 JYB 0.9127
322 6NI 0.9127
323 7W1 0.9127
324 GLC 0.9126
325 4V2 0.9125
326 AC2 0.9124
327 2HU 0.9124
328 0HN 0.9124
329 D07 0.9122
330 L99 0.9122
331 F5C 0.9122
332 DHQ 0.9119
333 WS7 0.9119
334 2ZM 0.9119
335 7MX 0.9118
336 SOR 0.9116
337 LT2 0.9116
338 E7Z 0.9115
339 KJH 0.9115
340 DNF 0.9114
341 ZHA 0.9113
342 G3E 0.9113
343 9KT 0.9113
344 069 0.9113
345 5QY 0.9110
346 7ME 0.9110
347 37T 0.9110
348 NFM 0.9109
349 JAW 0.9107
350 B57 0.9107
351 3A9 0.9106
352 LZ2 0.9105
353 2CZ 0.9105
354 TTL 0.9103
355 5QX 0.9102
356 JB5 0.9102
357 7FF 0.9102
358 4Z4 0.9100
359 3PF 0.9100
360 12Q 0.9097
361 BA5 0.9096
362 EXD 0.9095
363 NDM 0.9094
364 TYL 0.9094
365 ABI 0.9094
366 LI6 0.9094
367 CFF 0.9094
368 L22 0.9089
369 XIY 0.9089
370 ANC 0.9088
371 KW8 0.9086
372 5NU 0.9086
373 54X 0.9084
374 AX3 0.9083
375 363 0.9081
376 39O 0.9080
377 ESP 0.9080
378 F2W 0.9079
379 H7Y 0.9078
380 J5I 0.9077
381 7VS 0.9077
382 CWM 0.9076
383 PJW 0.9074
384 5CU 0.9074
385 ALE 0.9073
386 XDE 0.9073
387 3Y7 0.9073
388 6X9 0.9072
389 SG2 0.9071
390 LDP 0.9071
391 32X 0.9070
392 O2A 0.9070
393 HQT 0.9067
394 MR1 0.9067
395 3R4 0.9065
396 9LI 0.9064
397 JDN 0.9064
398 M0W 0.9063
399 E7R 0.9063
400 3DO 0.9061
401 G12 0.9061
402 KMY 0.9061
403 GM7 0.9060
404 X0W 0.9060
405 4JT 0.9059
406 FF2 0.9059
407 RM1 0.9059
408 IAC 0.9056
409 KF5 0.9055
410 EA1 0.9054
411 D48 0.9053
412 SE2 0.9050
413 B61 0.9047
414 8NB 0.9046
415 SQ7 0.9046
416 Y3L 0.9045
417 1Z6 0.9045
418 KJY 0.9043
419 5B1 0.9043
420 7B4 0.9042
421 9FE 0.9041
422 ZVO 0.9040
423 DBJ 0.9040
424 HJH 0.9040
425 TSR 0.9040
426 JXK 0.9039
427 4XV 0.9039
428 SKA 0.9039
429 F9Y 0.9038
430 GCU 0.9038
431 CTL 0.9038
432 5OO 0.9037
433 0J4 0.9037
434 MNS 0.9036
435 42A 0.9034
436 L46 0.9033
437 ZEC 0.9031
438 HLZ 0.9030
439 7HQ 0.9030
440 GAL 0.9030
441 55D 0.9029
442 NSG 0.9029
443 ESX 0.9029
444 ZYQ 0.9028
445 3DM 0.9028
446 BQ2 0.9027
447 RH1 0.9027
448 ZME 0.9027
449 PQK 0.9026
450 M78 0.9026
451 M2K 0.9026
452 M0Q 0.9025
453 V55 0.9025
454 ICB 0.9024
455 ISN 0.9021
456 ES0 0.9021
457 FLV 0.9021
458 I3E 0.9021
459 AEH 0.9020
460 KJU 0.9020
461 SQ4 0.9020
462 VNL 0.9020
463 M1H 0.9018
464 BZ2 0.9018
465 GVG 0.9018
466 SYA 0.9017
467 S98 0.9017
468 W81 0.9016
469 VGD 0.9015
470 S0E 0.9014
471 SXS 0.9013
472 6FZ 0.9013
473 JB8 0.9012
474 SNG 0.9012
475 5RN 0.9012
476 MIG 0.9011
477 LGC 0.9011
478 SKF 0.9010
479 NDH 0.9010
480 BHQ 0.9010
481 N3W 0.9010
482 Z5P 0.9010
483 4M4 0.9010
484 8Y7 0.9006
485 JP2 0.9006
486 SRO 0.9005
487 3R6 0.9005
488 AMR 0.9004
489 N1E 0.9004
490 LZM 0.9003
491 SYV 0.9002
492 OA3 0.9001
493 GZL 0.9001
494 2HC 0.8999
495 2WU 0.8998
496 680 0.8997
497 0W1 0.8997
498 86L 0.8995
499 EUG 0.8994
500 HDH 0.8994
501 EV0 0.8994
502 QAS 0.8993
503 SNO 0.8991
504 FOT 0.8991
505 GLT 0.8990
506 ES7 0.8990
507 Q88 0.8990
508 H4E 0.8989
509 D8Q 0.8988
510 226 0.8988
511 A5E 0.8988
512 IWT 0.8987
513 GJS 0.8987
514 5GU 0.8986
515 SNU 0.8985
516 N2M 0.8984
517 ADZ 0.8984
518 FYU 0.8983
519 HHA 0.8982
520 ASC 0.8982
521 7I2 0.8982
522 GZ8 0.8981
523 I6G 0.8981
524 5WV 0.8980
525 CIY 0.8980
526 EYV 0.8977
527 MSR 0.8975
528 GF4 0.8974
529 MFZ 0.8974
530 F4E 0.8974
531 QAT 0.8973
532 4BZ 0.8971
533 PXL 0.8970
534 K37 0.8970
535 7W4 0.8970
536 MPU 0.8969
537 SHG 0.8969
538 NVU 0.8969
539 CG 0.8968
540 3HA 0.8967
541 INO 0.8967
542 K82 0.8966
543 TZF 0.8966
544 2F6 0.8966
545 ALL 0.8965
546 EUE 0.8965
547 KKN 0.8964
548 4AA 0.8964
549 X8D 0.8963
550 F6P 0.8961
551 3M0 0.8961
552 F0J 0.8960
553 DDU 0.8959
554 XM5 0.8959
555 8H8 0.8958
556 24W 0.8957
557 2O6 0.8956
558 4V6 0.8955
559 CCV 0.8955
560 X04 0.8955
561 QPR 0.8955
562 3IT 0.8955
563 PNZ 0.8955
564 7PJ 0.8954
565 9UL 0.8954
566 HHT 0.8953
567 EVA 0.8953
568 EMZ 0.8952
569 2ZQ 0.8951
570 7ZE 0.8951
571 QBM 0.8950
572 NDD 0.8949
573 0LH 0.8948
574 CFA 0.8948
575 RNO 0.8947
576 K22 0.8947
577 9MG 0.8947
578 3GQ 0.8946
579 4NC 0.8946
580 1SQ 0.8946
581 1QV 0.8946
582 878 0.8945
583 5VL 0.8945
584 ANN 0.8944
585 NEU 0.8943
586 OTR 0.8943
587 DHB 0.8943
588 LKA 0.8941
589 MWP 0.8941
590 FE DB1 0.8940
591 I4D 0.8940
592 XX2 0.8939
593 5WX 0.8939
594 Q6T 0.8938
595 HQJ 0.8938
596 DPT 0.8937
597 2GQ 0.8937
598 42C 0.8936
599 DBH 0.8935
600 GCB 0.8935
601 FQX 0.8934
602 KBG 0.8934
603 K44 0.8934
604 ABV 0.8934
605 M5H 0.8934
606 D3G 0.8933
607 IOS 0.8931
608 AH9 0.8930
609 K68 0.8930
610 K7H 0.8929
611 SHA 0.8927
612 LZB 0.8926
613 4XS 0.8926
614 XAN 0.8926
615 NNO 0.8926
616 64C 0.8925
617 QUS 0.8924
618 HMH 0.8924
619 HRM 0.8923
620 WOO 0.8923
621 67N 0.8923
622 MP5 0.8922
623 X11 0.8921
624 GUN 0.8921
625 Q7A 0.8920
626 ST1 0.8920
627 3F0 0.8918
628 3MB 0.8918
629 R8V 0.8918
630 2GS 0.8917
631 ST3 0.8917
632 MT5 0.8915
633 9DG 0.8914
634 MOK 0.8913
635 5LA 0.8913
636 ASO 0.8912
637 UNC 0.8912
638 505 0.8911
639 5WY 0.8911
640 OVM 0.8911
641 ITE 0.8911
642 B53 0.8910
643 EAE 0.8910
644 MS0 0.8909
645 1NP 0.8909
646 3N1 0.8909
647 OW7 0.8908
648 IOP 0.8907
649 NIZ 0.8907
650 CTS 0.8906
651 9BF 0.8906
652 JR2 0.8906
653 PFB 0.8906
654 SX1 0.8905
655 K25 0.8905
656 GTQ 0.8904
657 2F8 0.8903
658 GDE 0.8903
659 E5X 0.8903
660 93K 0.8903
661 7NI 0.8901
662 42J 0.8901
663 3WA 0.8901
664 ONZ 0.8900
665 CXH 0.8899
666 36M 0.8899
667 0W8 0.8899
668 AZA 0.8898
669 1LQ 0.8898
670 GI3 0.8897
671 JTA 0.8897
672 IJZ 0.8896
673 WS6 0.8896
674 GNV 0.8896
675 JBK 0.8895
676 2HO 0.8894
677 GTC 0.8894
678 2AL 0.8894
679 SLC 0.8893
680 XFE 0.8893
681 5SG 0.8892
682 5IQ 0.8892
683 ENO 0.8892
684 MAJ 0.8891
685 L5V 0.8891
686 2H5 0.8890
687 FHB 0.8890
688 CX6 0.8887
689 IL5 0.8886
690 SKM 0.8885
691 4A3 0.8885
692 IGA 0.8885
693 GOE 0.8884
694 52C 0.8884
695 3HM 0.8883
696 NLA 0.8882
697 K32 0.8881
698 IFL 0.8879
699 AX7 0.8879
700 JBH 0.8878
701 54G 0.8878
702 DHC 0.8878
703 KJ5 0.8876
704 JRB 0.8876
705 TH7 0.8875
706 OSB 0.8875
707 ES1 0.8874
708 5Q0 0.8874
709 DHK 0.8874
710 PXM 0.8874
711 HA7 0.8874
712 HPT 0.8873
713 HQY 0.8873
714 O72 0.8873
715 PX7 0.8872
716 AKH 0.8872
717 IPB 0.8872
718 JUG 0.8869
719 4AN 0.8869
720 FHC 0.8868
721 GLO 0.8867
722 7VP 0.8867
723 NBG 0.8865
724 NOY 0.8865
725 2MI 0.8863
726 LL1 0.8863
727 NCT 0.8862
728 IBM 0.8861
729 3ID 0.8861
730 PDC 0.8860
731 0F9 0.8860
732 173 0.8860
733 HJP 0.8859
734 5MK 0.8859
735 1XM 0.8859
736 141 0.8858
737 CHQ 0.8858
738 4YS 0.8857
739 5V7 0.8857
740 RA7 0.8855
741 X09 0.8855
742 64E 0.8855
743 54Z 0.8855
744 PRL 0.8855
745 QMS 0.8854
746 KP2 0.8853
747 CKA 0.8853
748 R6T 0.8853
749 TXW 0.8853
750 PMP 0.8852
751 6BL 0.8851
752 LQ2 0.8850
753 GZ2 0.8849
754 FTV 0.8848
755 57O 0.8848
756 EVF 0.8847
757 CN0 0.8847
758 2JK 0.8847
759 BPN 0.8847
760 CPZ 0.8847
761 0NX 0.8846
762 YH7 0.8845
763 4NM 0.8843
764 5M0 0.8843
765 7VJ 0.8843
766 GVY 0.8842
767 X0T 0.8842
768 M1E 0.8841
769 SWA 0.8840
770 JPZ 0.8839
771 C2U 0.8839
772 PBA 0.8839
773 JCZ 0.8839
774 EJZ 0.8838
775 1LM 0.8838
776 091 0.8837
777 45L 0.8837
778 PHH 0.8836
779 YZM 0.8836
780 A2F 0.8836
781 AMH 0.8835
782 EV3 0.8835
783 DNC 0.8835
784 4NB 0.8834
785 MYJ 0.8833
786 1L5 0.8833
787 6CS 0.8832
788 5RG 0.8831
789 HC4 0.8831
790 YQA 0.8831
791 LYL 0.8830
792 AZG 0.8830
793 4P5 0.8830
794 92G 0.8829
795 GCW 0.8829
796 49O 0.8829
797 M1A 0.8829
798 NPX 0.8829
799 1XA 0.8829
800 HNQ 0.8829
801 21D 0.8828
802 TYR 0.8828
803 M6Z 0.8828
804 AJ1 0.8827
805 692 0.8827
806 PRZ 0.8826
807 N4E 0.8826
808 G1O 0.8825
809 P92 0.8825
810 PPY 0.8825
811 4HM 0.8823
812 N5J 0.8823
813 GT0 0.8823
814 S0G 0.8823
815 2FX 0.8823
816 RD4 0.8821
817 DK1 0.8821
818 F4K 0.8821
819 BHO 0.8821
820 NGW 0.8820
821 NGT 0.8820
822 293 0.8820
823 SYE 0.8819
824 MQB 0.8818
825 NOJ 0.8818
826 J9N 0.8818
827 4FE 0.8818
828 BZE 0.8817
829 SQP 0.8817
830 795 0.8816
831 F1A 0.8816
832 ONR 0.8816
833 I2E 0.8815
834 DUR 0.8815
835 LAO 0.8815
836 AJG 0.8814
837 RVE 0.8814
838 FER 0.8812
839 259 0.8810
840 AY4 0.8810
841 PD2 0.8810
842 TMG 0.8810
843 B0K 0.8809
844 P7Y 0.8809
845 CHB 0.8809
846 774 0.8808
847 DHY 0.8808
848 MAN 0.8807
849 ZZ8 0.8805
850 657 0.8804
851 KLK 0.8804
852 L1O 0.8803
853 8XQ 0.8803
854 OW4 0.8801
855 3RI 0.8800
856 270 0.8799
857 SOE 0.8799
858 TEP 0.8798
859 MUR 0.8798
860 RSV 0.8798
861 X05 0.8797
862 A7N 0.8797
863 P9E 0.8797
864 XQK 0.8796
865 GWM 0.8795
866 HX3 0.8794
867 GOX 0.8794
868 6AP 0.8794
869 P9P 0.8793
870 6HO 0.8791
871 9KZ 0.8790
872 M1Z 0.8790
873 GNY 0.8790
874 CFP 0.8790
875 A5H 0.8789
876 4LW 0.8788
877 4NO 0.8787
878 D2G 0.8787
879 THM 0.8787
880 67X 0.8787
881 36E 0.8786
882 JAE 0.8786
883 2J1 0.8786
884 YRL 0.8785
885 4XH 0.8785
886 EV2 0.8783
887 5WT 0.8782
888 JY2 0.8782
889 FUD 0.8780
890 22L 0.8780
891 KG1 0.8780
892 7WR 0.8780
893 GLA 0.8779
894 K6X 0.8779
895 ISZ 0.8779
896 DIU 0.8778
897 X0V 0.8778
898 G2F 0.8776
899 F31 0.8776
900 X48 0.8773
901 DBX 0.8772
902 12B 0.8771
903 TJM 0.8771
904 2UZ 0.8770
905 FK1 0.8769
906 HH8 0.8769
907 VM1 0.8768
908 CFI 0.8768
909 4WL 0.8767
910 06B 0.8766
911 DMD 0.8765
912 261 0.8765
913 PFL 0.8765
914 QWN 0.8764
915 DX4 0.8764
916 DGJ 0.8764
917 5XL 0.8762
918 5MI 0.8760
919 5F5 0.8760
920 NBV 0.8759
921 YZ9 0.8759
922 HX4 0.8759
923 6HP 0.8757
924 8U3 0.8757
925 BOA 0.8757
926 2QC 0.8757
927 HH5 0.8757
928 L1Q 0.8756
929 JBQ 0.8756
930 290 0.8755
931 18N 0.8754
932 9TW 0.8754
933 ZZT 0.8754
934 4FA 0.8754
935 SN4 0.8753
936 3XR 0.8753
937 NSP 0.8753
938 IPD 0.8751
939 BP7 0.8751
940 R20 0.8751
941 5GT 0.8750
942 11S 0.8750
943 NQH 0.8750
944 5H1 0.8750
945 C53 0.8750
946 F69 0.8749
947 14O 0.8749
948 S7S 0.8749
949 KIF 0.8748
950 4B0 0.8747
951 H4N 0.8747
952 582 0.8747
953 FBG 0.8747
954 LEL 0.8747
955 GCO 0.8746
956 PLP 0.8746
957 G6P 0.8745
958 ZZA 0.8745
959 OXC 0.8745
960 DX1 0.8744
961 QBS 0.8744
962 FP1 0.8744
963 HIS 0.8744
964 EQT 0.8743
965 495 0.8743
966 W8G 0.8742
967 2K4 0.8741
968 IHB 0.8741
969 2B4 0.8741
970 F60 0.8740
971 E3X 0.8740
972 0BP 0.8739
973 LO1 0.8739
974 GTR 0.8738
975 MPK 0.8738
976 GJK 0.8738
977 6GU 0.8738
978 BIK 0.8737
979 TCR 0.8737
980 BSP 0.8736
981 A65 0.8736
982 BZX 0.8736
983 JGB 0.8734
984 G1P 0.8734
985 JVN 0.8733
986 8GK 0.8733
987 S8A 0.8733
988 B2J 0.8733
989 7FU 0.8732
990 R2P 0.8732
991 3VQ 0.8732
992 T1N 0.8731
993 C8O 0.8731
994 LIP 0.8731
995 QWW 0.8731
996 9TZ 0.8730
997 NPA 0.8730
998 PH3 0.8730
999 DCZ 0.8729
1000 1GN 0.8729
1001 QSB 0.8729
1002 QX2 0.8728
1003 39A 0.8727
1004 28S 0.8727
1005 G14 0.8727
1006 4SX 0.8727
1007 HL4 0.8726
1008 PHE 0.8726
1009 3AE 0.8726
1010 P81 0.8726
1011 YSO 0.8726
1012 FBM 0.8725
1013 36Y 0.8724
1014 PHU 0.8723
1015 L14 0.8722
1016 4VY 0.8722
1017 S7J 0.8722
1018 IFP 0.8721
1019 XCG 0.8720
1020 NGO 0.8719
1021 4ZA 0.8718
1022 MXD 0.8718
1023 TAG 0.8717
1024 JXT 0.8717
1025 9H2 0.8717
1026 EPR 0.8717
1027 3VS 0.8717
1028 K5W 0.8717
1029 NTZ 0.8717
1030 K4V 0.8716
1031 LUM 0.8716
1032 BNL 0.8716
1033 5TZ 0.8715
1034 FDK 0.8713
1035 ORO 0.8713
1036 M6P 0.8713
1037 QXW 0.8711
1038 6M9 0.8711
1039 1ZC 0.8710
1040 VC2 0.8710
1041 PZI 0.8710
1042 39U 0.8710
1043 HMU 0.8709
1044 FGZ 0.8709
1045 TRP 0.8708
1046 ES9 0.8706
1047 6AI 0.8705
1048 6L6 0.8705
1049 MT0 0.8705
1050 GIV 0.8704
1051 5MB 0.8703
1052 RKV 0.8703
1053 8OZ 0.8703
1054 GC2 0.8702
1055 535 0.8702
1056 Y0V 0.8701
1057 372 0.8700
1058 HRD 0.8699
1059 L7T 0.8698
1060 JY4 0.8697
1061 GI1 0.8696
1062 GIM 0.8696
1063 D9Z 0.8696
1064 1U6 0.8696
1065 DOR 0.8695
1066 ADA 0.8694
1067 KGK 0.8694
1068 GB4 0.8694
1069 HZQ 0.8693
1070 PUE 0.8692
1071 UFV 0.8692
1072 P80 0.8692
1073 M5N 0.8690
1074 UEG 0.8690
1075 0CU 0.8690
1076 QSH 0.8690
1077 BCP 0.8690
1078 GCV 0.8689
1079 J01 0.8689
1080 PAB 0.8687
1081 EKZ 0.8686
1082 2PV 0.8686
1083 XM0 0.8685
1084 QQQ 0.8684
1085 2J2 0.8683
1086 23J 0.8683
1087 B1J 0.8682
1088 KOJ 0.8682
1089 9PY 0.8681
1090 E3D 0.8681
1091 HLD 0.8681
1092 61O 0.8681
1093 MBG 0.8680
1094 B52 0.8679
1095 OVP 0.8679
1096 0UL 0.8679
1097 8NY 0.8678
1098 2PK 0.8677
1099 YTX 0.8676
1100 149 0.8676
1101 78Y 0.8675
1102 0OK 0.8675
1103 NPS 0.8674
1104 FIX 0.8674
1105 DXK 0.8674
1106 5OF 0.8674
1107 4A5 0.8674
1108 TPA 0.8674
1109 BNT 0.8673
1110 PQZ 0.8672
1111 AH6 0.8672
1112 IQZ 0.8672
1113 II4 0.8671
1114 Z25 0.8670
1115 PHB 0.8670
1116 1XN 0.8668
1117 FYR 0.8668
1118 NPO 0.8668
1119 F40 0.8665
1120 OCZ 0.8664
1121 56D 0.8664
1122 92O 0.8663
1123 AES 0.8662
1124 MPV 0.8661
1125 0RW 0.8661
1126 BNF 0.8661
1127 E1P 0.8660
1128 24B 0.8658
1129 LR5 0.8656
1130 M02 0.8656
1131 GOJ 0.8655
1132 2SX 0.8655
1133 LSA 0.8655
1134 MUK 0.8655
1135 G6D 0.8653
1136 6R8 0.8652
1137 HJ7 0.8652
1138 GAF 0.8651
1139 6TZ 0.8651
1140 Z82 0.8650
1141 82I 0.8649
1142 2FG 0.8648
1143 TR4 0.8647
1144 7O4 0.8646
1145 GYE 0.8646
1146 4HB 0.8646
1147 1VK 0.8646
1148 PZM 0.8646
1149 2D3 0.8644
1150 EYK 0.8644
1151 DE5 0.8642
1152 CNI 0.8642
1153 QNA 0.8641
1154 GAB 0.8641
1155 CSN 0.8640
1156 VC3 0.8640
1157 EWG 0.8640
1158 5VJ 0.8638
1159 3FH 0.8637
1160 6SD 0.8635
1161 XQG 0.8635
1162 BMA 0.8630
1163 XXP 0.8630
1164 96R 0.8630
1165 717 0.8630
1166 9UG 0.8629
1167 GXL 0.8628
1168 AMG 0.8627
1169 P72 0.8627
1170 174 0.8626
1171 D1X 0.8626
1172 H4B NO 0.8626
1173 3NT 0.8626
1174 4NZ 0.8625
1175 Q0K 0.8625
1176 ST4 0.8624
1177 ODK 0.8623
1178 6M1 0.8623
1179 DHR 0.8623
1180 9NB 0.8622
1181 1WC 0.8622
1182 78U 0.8621
1183 P4L 0.8619
1184 GRE 0.8619
1185 9CE 0.8618
1186 25W 0.8617
1187 AW5 0.8616
1188 JA5 0.8616
1189 CTN 0.8615
1190 WUB 0.8615
1191 CKU 0.8613
1192 96U 0.8612
1193 4CS 0.8611
1194 YO5 0.8609
1195 F05 0.8609
1196 TQU 0.8608
1197 OMD 0.8608
1198 TBS 0.8607
1199 BY5 0.8606
1200 X6X 0.8605
1201 0GZ 0.8605
1202 5VU 0.8601
1203 PBZ 0.8601
1204 AAN 0.8600
1205 3HB 0.8598
1206 EZL 0.8598
1207 1DR 0.8597
1208 3XH 0.8595
1209 NRA 0.8595
1210 9FH 0.8594
1211 A13 0.8593
1212 STT 0.8593
1213 NPY 0.8592
1214 JFJ 0.8591
1215 F12 0.8590
1216 PO6 0.8588
1217 4FH 0.8588
1218 L15 0.8587
1219 2D2 0.8586
1220 DC5 0.8586
1221 8D6 0.8585
1222 2BX 0.8583
1223 QUZ 0.8583
1224 P1J 0.8582
1225 RMN 0.8582
1226 6M4 0.8581
1227 DAH 0.8579
1228 1WG 0.8579
1229 5F8 0.8577
1230 2CQ 0.8572
1231 GLY PRO 0.8570
1232 6F0 0.8570
1233 2LP 0.8568
1234 IPT 0.8568
1235 A5P 0.8566
1236 JLZ 0.8566
1237 6DP 0.8565
1238 KTA 0.8563
1239 OVV 0.8563
1240 DX2 0.8561
1241 K17 0.8561
1242 KBZ 0.8561
1243 XXR 0.8560
1244 WCE 0.8559
1245 3AB 0.8555
1246 SWX 0.8553
1247 4MA 0.8553
1248 LP8 0.8553
1249 MMS 0.8550
1250 27K 0.8550
1251 8GC 0.8550
1252 PIY 0.8548
1253 QIC 0.8548
1254 HLR 0.8546
1255 MHK 0.8545
1256 HBD 0.8545
1257 39Z 0.8543
1258 SVN 0.8543
1259 IQ5 0.8543
1260 1DW 0.8541
1261 1Y6 0.8539
1262 2CK 0.8535
1263 L13 0.8534
1264 MT8 0.8533
1265 4FF 0.8532
1266 AC6 0.8529
1267 4JC 0.8529
1268 FA3 0.8528
1269 FSW 0.8527
1270 M3F 0.8527
1271 YIO 0.8524
1272 53C 0.8520
1273 9EW 0.8518
1274 CP6 0.8506
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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