Receptor
PDB id Resolution Class Description Source Keywords
5OFW 1.5 Å EC: 1.1.1.95 CRYSTAL STRUCTURE OF HUMAN 3-PHOSPHOGLYCERATE DEHYDROGENASE WITH 3-CHLORO-4-FLUOROBENZAMIDE HOMO SAPIENS DEHYDROGENASE SERINE METABOLISM FBDD OXIDOREDUCTASE
Ref.: VALIDATING AND ENABLING PHOSPHOGLYCERATE DEHYDROGEN (PHGDH) AS A TARGET FOR FRAGMENT-BASED DRUG DISCOVE PHGDH-AMPLIFIED BREAST CANCER. ONCOTARGET V. 9 13139 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
9TW B:401;
A:401;
Valid;
Valid;
none;
none;
Kd = 1.6 mM
173.572 C7 H5 Cl F N O c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5OFW 1.5 Å EC: 1.1.1.95 CRYSTAL STRUCTURE OF HUMAN 3-PHOSPHOGLYCERATE DEHYDROGENASE WITH 3-CHLORO-4-FLUOROBENZAMIDE HOMO SAPIENS DEHYDROGENASE SERINE METABOLISM FBDD OXIDOREDUCTASE
Ref.: VALIDATING AND ENABLING PHOSPHOGLYCERATE DEHYDROGEN (PHGDH) AS A TARGET FOR FRAGMENT-BASED DRUG DISCOVE PHGDH-AMPLIFIED BREAST CANCER. ONCOTARGET V. 9 13139 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5OFV Kd = 26.2 mM 9TZ C8 H7 F O2 Cc1ccc(cc1....
2 5OFW Kd = 1.6 mM 9TW C7 H5 Cl F N O c1cc(c(cc1....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5N53 Kd = 2.8 mM 8NB C9 H10 Cl N O2 CC(=O)Nc1c....
2 5NZP Kd = 6.5 mM 9EW C7 H5 N O2 c1ccc2c(c1....
3 6CWA - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
4 6RJ6 ic50 = 2 nM K5K C21 H20 Cl2 N2 O6 S Cc1cc2c(cc....
5 6RJ2 ic50 = 0.1 uM K52 C21 H22 N4 O4 S C[C@H](c1c....
6 6RIH Kd = 105 uM K4T C14 H15 N3 O Cn1c(cc(n1....
7 6PLF ic50 = 0.238 uM ONV C22 H20 Cl N3 O7 c1cc(ccc1[....
8 6RJ3 ic50 = 0.4 uM K58 C20 H19 N3 O3 C[C@H](c1c....
9 6RJ5 ic50 = 0.3 uM K5N C21 H22 N4 O4 S C[C@H](c1c....
10 5N6C Ka = 22500 M^-1 NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 5OFV Kd = 26.2 mM 9TZ C8 H7 F O2 Cc1ccc(cc1....
12 5OFW Kd = 1.6 mM 9TW C7 H5 Cl F N O c1cc(c(cc1....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 5N53 Kd = 2.8 mM 8NB C9 H10 Cl N O2 CC(=O)Nc1c....
2 4E5M - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4E5N - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 4E5K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 6RJ6 ic50 = 2 nM K5K C21 H20 Cl2 N2 O6 S Cc1cc2c(cc....
6 6RJ2 ic50 = 0.1 uM K52 C21 H22 N4 O4 S C[C@H](c1c....
7 5OFV Kd = 26.2 mM 9TZ C8 H7 F O2 Cc1ccc(cc1....
8 5OFW Kd = 1.6 mM 9TW C7 H5 Cl F N O c1cc(c(cc1....
9 2DBQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 5AOV - GLV C2 H2 O3 C(=O)C(=O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 9TW; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 9TW 1 1
2 2HO 0.529412 0.954545
Similar Ligands (3D)
Ligand no: 1; Ligand: 9TW; Similar ligands found: 1329
No: Ligand Similarity coefficient
1 P9P 1.0000
2 DHB 1.0000
3 4NC 1.0000
4 CHB 1.0000
5 QSB 1.0000
6 93K 1.0000
7 IHB 1.0000
8 JLZ 1.0000
9 INO 1.0000
10 FHB 0.9997
11 3HM 0.9993
12 4A3 0.9992
13 NNO 0.9974
14 MYJ 0.9969
15 XX2 0.9909
16 VNL 0.9790
17 DHK 0.9765
18 4CS 0.9753
19 F31 0.9749
20 WCE 0.9742
21 BRT 0.9734
22 3HB 0.9730
23 PHB 0.9728
24 3NT 0.9718
25 GAB 0.9710
26 NPO 0.9709
27 HBD 0.9691
28 PAB 0.9689
29 8WO 0.9684
30 SKM 0.9682
31 NMJ 0.9680
32 GDE 0.9677
33 4XR 0.9674
34 QSH 0.9672
35 PBZ 0.9670
36 OVV 0.9670
37 4MA 0.9656
38 53C 0.9650
39 3AB 0.9639
40 8GC 0.9626
41 826 0.9624
42 KOJ 0.9618
43 LNR 0.9617
44 AC6 0.9611
45 L99 0.9606
46 1Y6 0.9606
47 FGZ 0.9595
48 ZXD 0.9590
49 0HO 0.9590
50 4P5 0.9585
51 4AA 0.9579
52 X0V 0.9578
53 SW7 0.9576
54 GYE 0.9575
55 P72 0.9573
56 5HN 0.9573
57 Z82 0.9571
58 HX3 0.9565
59 KKN 0.9563
60 3A9 0.9560
61 3PF 0.9560
62 IFP 0.9557
63 BGC 0.9557
64 174 0.9553
65 0HN 0.9551
66 3BZ 0.9549
67 4FH 0.9546
68 5QY 0.9545
69 LCN 0.9544
70 4Z4 0.9541
71 4WL 0.9540
72 ISN 0.9538
73 3DO 0.9532
74 4SX 0.9530
75 GZL 0.9530
76 J9T 0.9530
77 CN0 0.9529
78 EKZ 0.9528
79 BDP 0.9528
80 ES7 0.9528
81 5WV 0.9522
82 LDP 0.9517
83 GLC 0.9511
84 E7Z 0.9509
85 3OC 0.9508
86 2AL 0.9500
87 TWO 0.9499
88 DMD 0.9494
89 VXX 0.9488
90 NOY 0.9484
91 4ZA 0.9483
92 GTQ 0.9483
93 6NT 0.9482
94 DOB 0.9478
95 D48 0.9476
96 F0J 0.9475
97 DHS 0.9475
98 3ID 0.9472
99 2A9 0.9468
100 3NY 0.9468
101 J9Q 0.9466
102 1F1 0.9464
103 G3E 0.9463
104 V55 0.9462
105 NOJ 0.9462
106 12Q 0.9462
107 2HU 0.9460
108 ICO 0.9460
109 ASC 0.9459
110 SYV 0.9459
111 TTL 0.9458
112 BEN 0.9458
113 HQJ 0.9458
114 7WR 0.9456
115 LT2 0.9454
116 PBC 0.9454
117 NCA 0.9453
118 3MB 0.9451
119 4HM 0.9450
120 4M0 0.9449
121 SKA 0.9449
122 JAW 0.9448
123 4XV 0.9446
124 069 0.9445
125 7W4 0.9444
126 BEZ 0.9443
127 86J 0.9443
128 5RO 0.9442
129 5RN 0.9441
130 HIS 0.9441
131 54G 0.9439
132 BHA 0.9438
133 5RG 0.9438
134 HDH 0.9437
135 G4D 0.9437
136 IFL 0.9433
137 FA0 0.9433
138 5NI 0.9433
139 ASO 0.9431
140 M2K 0.9431
141 EUG 0.9430
142 4M4 0.9429
143 ADA 0.9428
144 DGJ 0.9426
145 E5X 0.9426
146 J5I 0.9426
147 5NU 0.9422
148 AL0 0.9421
149 G2F 0.9421
150 2ZM 0.9420
151 HBA 0.9420
152 SX1 0.9416
153 HQT 0.9415
154 7MU 0.9415
155 NIO 0.9410
156 6PC 0.9409
157 AW5 0.9406
158 BAM 0.9405
159 5OB 0.9404
160 3HA 0.9403
161 BZ2 0.9403
162 DNF 0.9402
163 ABI 0.9400
164 SE2 0.9400
165 ESP 0.9398
166 DBH 0.9396
167 7W1 0.9396
168 2HQ 0.9396
169 5CU 0.9394
170 IPB 0.9392
171 AHR 0.9392
172 6NI 0.9391
173 GLU 0.9390
174 4XS 0.9388
175 97T 0.9388
176 PNZ 0.9388
177 GTR 0.9387
178 6CS 0.9386
179 5M0 0.9386
180 H42 0.9385
181 CFI 0.9384
182 PHU 0.9382
183 OAA 0.9381
184 UNU 0.9380
185 HA5 0.9380
186 LGC 0.9379
187 BHO 0.9379
188 15N 0.9378
189 0F9 0.9378
190 AC0 0.9377
191 KUF 0.9377
192 4BZ 0.9375
193 NBZ 0.9375
194 PZA 0.9375
195 1P3 0.9374
196 ORO 0.9374
197 BPN 0.9374
198 OVM 0.9373
199 ONR 0.9372
200 5MK 0.9372
201 IF7 0.9370
202 OW4 0.9369
203 D1X 0.9369
204 3F0 0.9368
205 SAL 0.9367
206 ISZ 0.9364
207 1LQ 0.9362
208 AZ9 0.9361
209 L5V 0.9360
210 FBW 0.9359
211 5QX 0.9358
212 0W8 0.9358
213 HQD 0.9358
214 M4T 0.9357
215 2FG 0.9357
216 HHA 0.9354
217 717 0.9354
218 Q88 0.9353
219 BE2 0.9353
220 YCP 0.9347
221 DOR 0.9344
222 CWS 0.9343
223 ANN 0.9342
224 XIY 0.9342
225 A7W 0.9341
226 67N 0.9340
227 JBK 0.9340
228 OVP 0.9336
229 M1A 0.9334
230 EOL 0.9333
231 4NM 0.9332
232 0N7 0.9332
233 GAL 0.9331
234 1SQ 0.9331
235 BNS 0.9330
236 QIC 0.9329
237 45L 0.9329
238 9TZ 0.9328
239 JDN 0.9326
240 0JD 0.9324
241 MLT 0.9324
242 DIN 0.9322
243 4FA 0.9322
244 FBM 0.9321
245 9FE 0.9321
246 3M0 0.9320
247 TSU 0.9318
248 SAN 0.9318
249 G3F 0.9317
250 5XC 0.9317
251 6FZ 0.9317
252 UFV 0.9316
253 CWM 0.9315
254 FAN 0.9314
255 6RQ 0.9313
256 0P6 0.9313
257 OTR 0.9312
258 H7Y 0.9311
259 FA1 0.9311
260 QWN 0.9311
261 ESI 0.9311
262 BZ3 0.9310
263 1NP 0.9308
264 ODO 0.9307
265 GCU 0.9307
266 1P7 0.9307
267 6TZ 0.9305
268 AX7 0.9300
269 4J8 0.9300
270 15L 0.9299
271 N2Z 0.9299
272 COU 0.9298
273 34D 0.9297
274 M3H 0.9294
275 OXC 0.9294
276 SOE 0.9293
277 FE DB1 0.9291
278 3IT 0.9290
279 6M9 0.9290
280 2AQ 0.9289
281 8WT 0.9288
282 TH7 0.9287
283 RAT 0.9286
284 4FS 0.9284
285 DYA 0.9284
286 AMH 0.9283
287 KBG 0.9283
288 173 0.9282
289 ABV 0.9282
290 XQ0 0.9281
291 R8V 0.9279
292 TPA 0.9278
293 9ZE 0.9278
294 ES0 0.9277
295 JB8 0.9277
296 N5J 0.9276
297 3XX 0.9275
298 51R 0.9274
299 NTN 0.9273
300 8S0 0.9273
301 ALL 0.9273
302 QSC 0.9273
303 ES6 0.9273
304 24W 0.9272
305 JFJ 0.9272
306 OCH 0.9269
307 QXW 0.9269
308 MRW 0.9269
309 DHR 0.9269
310 BE7 0.9267
311 AEH 0.9267
312 03V 0.9266
313 XX3 0.9263
314 7B4 0.9263
315 4VP 0.9262
316 270 0.9258
317 GUA 0.9258
318 SHA 0.9256
319 FOT 0.9256
320 9FL 0.9255
321 PIM 0.9253
322 52C 0.9253
323 GVG 0.9253
324 JB5 0.9251
325 BEA 0.9250
326 TYL 0.9250
327 EA1 0.9248
328 RSO 0.9248
329 FBS 0.9247
330 ES5 0.9246
331 2BG 0.9245
332 ET2 0.9243
333 ICB 0.9242
334 FBA 0.9242
335 VOH 0.9242
336 FCR 0.9242
337 JPZ 0.9242
338 ES1 0.9241
339 ES2 0.9241
340 IFM 0.9240
341 PIY 0.9240
342 5IQ 0.9240
343 4XH 0.9240
344 I3A 0.9240
345 XCZ 0.9239
346 XM0 0.9238
347 NIZ 0.9237
348 YIO 0.9236
349 JAE 0.9236
350 PZI 0.9235
351 LMR 0.9234
352 HMH 0.9234
353 4JM 0.9233
354 PXL 0.9233
355 5SG 0.9232
356 VGL 0.9231
357 4SV 0.9230
358 E1T 0.9229
359 259 0.9228
360 WOO 0.9226
361 HY1 0.9226
362 AEF 0.9226
363 4AV 0.9225
364 4YS 0.9225
365 1GN 0.9224
366 SS1 0.9224
367 Q6T 0.9224
368 SLS 0.9222
369 8ZE 0.9222
370 42J 0.9221
371 MS9 0.9220
372 IV2 0.9219
373 CXF 0.9219
374 C2Y 0.9219
375 82I 0.9218
376 1P8 0.9218
377 R20 0.9217
378 9CA 0.9217
379 4YO 0.9216
380 2D0 0.9215
381 2FY 0.9213
382 8CM 0.9213
383 SRT 0.9212
384 BZX 0.9212
385 4JQ 0.9212
386 463 0.9211
387 M1H 0.9211
388 ESX 0.9211
389 0RW 0.9211
390 MQN 0.9210
391 JKE 0.9210
392 GXL 0.9209
393 92K 0.9209
394 3U4 0.9209
395 AAS 0.9208
396 UNC 0.9208
397 2YU 0.9208
398 S2G 0.9206
399 F9P 0.9206
400 FBB 0.9205
401 7HQ 0.9205
402 HC4 0.9204
403 PRZ 0.9203
404 KTA 0.9203
405 14O 0.9203
406 QUZ 0.9203
407 5Q0 0.9202
408 5B1 0.9202
409 PA1 0.9200
410 0W1 0.9200
411 FP1 0.9200
412 F60 0.9198
413 92P 0.9197
414 A29 0.9196
415 K2T 0.9196
416 2H5 0.9196
417 BSX 0.9195
418 GCS 0.9195
419 DE5 0.9194
420 GCB 0.9193
421 7VS 0.9193
422 DBJ 0.9192
423 GIF 0.9192
424 1M2 0.9191
425 149 0.9191
426 DGL 0.9190
427 NPY 0.9189
428 M0Q 0.9188
429 GF4 0.9187
430 4JT 0.9187
431 HH8 0.9187
432 PAC 0.9186
433 KTW 0.9183
434 N3W 0.9182
435 YRL 0.9182
436 HQY 0.9182
437 5JC 0.9182
438 6AI 0.9182
439 2MI 0.9181
440 VGD 0.9181
441 PD2 0.9180
442 F05 0.9179
443 5H1 0.9178
444 6M4 0.9177
445 AMS 0.9176
446 CLW 0.9176
447 MZG 0.9176
448 M58 0.9175
449 HLZ 0.9172
450 MCT 0.9172
451 H8N 0.9171
452 RIB 0.9170
453 11S 0.9170
454 QX2 0.9170
455 1IT 0.9169
456 IJZ 0.9169
457 X6X 0.9168
458 HJP 0.9168
459 KBB 0.9167
460 CTL 0.9167
461 GJZ 0.9166
462 3Z8 0.9166
463 I1E 0.9166
464 CH9 0.9166
465 39O 0.9165
466 VNJ 0.9165
467 CPZ 0.9165
468 AJY 0.9165
469 XXG 0.9164
470 OGA 0.9164
471 2K4 0.9163
472 JBE 0.9162
473 0TU 0.9160
474 MR1 0.9159
475 7WV 0.9159
476 SJ5 0.9156
477 PQK 0.9156
478 IT2 0.9156
479 OK7 0.9153
480 K34 0.9150
481 MSR 0.9150
482 36R 0.9149
483 5MI 0.9148
484 XBZ 0.9148
485 PDC 0.9148
486 2CK 0.9147
487 9EW 0.9147
488 GAF 0.9146
489 AMC 0.9145
490 RM1 0.9145
491 GIV 0.9145
492 C2U 0.9144
493 N8Y 0.9144
494 4HO 0.9143
495 GLA 0.9141
496 1MC 0.9141
497 HT4 0.9140
498 12T 0.9139
499 5LA 0.9139
500 2HC 0.9138
501 KT7 0.9135
502 SVN 0.9135
503 URC 0.9135
504 FYU 0.9134
505 5MB 0.9134
506 P92 0.9133
507 EVA 0.9132
508 FA3 0.9132
509 DIU 0.9131
510 23A 0.9130
511 Z5P 0.9130
512 URS 0.9130
513 261 0.9129
514 4NG 0.9128
515 1PT 0.9128
516 3MG 0.9127
517 SN4 0.9126
518 DBX 0.9125
519 F4E 0.9125
520 URF 0.9125
521 K5W 0.9124
522 7NI 0.9124
523 1DW 0.9124
524 GLN 0.9122
525 H4E 0.9121
526 SWA 0.9120
527 4ZE 0.9120
528 Y8I 0.9120
529 TTY 0.9119
530 A13 0.9118
531 15E 0.9117
532 MPV 0.9117
533 ADE 0.9116
534 XYL 0.9115
535 RB5 0.9115
536 AKH 0.9115
537 EYK 0.9115
538 GXY 0.9113
539 ASP 0.9113
540 PEA 0.9113
541 7N0 0.9112
542 TM7 0.9112
543 8XL 0.9110
544 4JJ 0.9110
545 MWM 0.9110
546 27Y 0.9108
547 XDE 0.9107
548 4JL 0.9107
549 4ME 0.9107
550 RNT 0.9106
551 NCT 0.9106
552 OMD 0.9105
553 QY9 0.9105
554 268 0.9104
555 BCU 0.9103
556 QWW 0.9103
557 AKG 0.9103
558 34A 0.9102
559 COI 0.9101
560 EXD 0.9101
561 CXH 0.9099
562 FQI 0.9099
563 FK1 0.9099
564 PJW 0.9096
565 R8S 0.9095
566 QMP 0.9095
567 2FQ 0.9095
568 JG8 0.9095
569 MWJ 0.9094
570 ES9 0.9094
571 AGK 0.9093
572 SNU 0.9093
573 275 0.9092
574 XYP 0.9092
575 M6N 0.9092
576 4ZC 0.9091
577 A1U 0.9091
578 ADZ 0.9090
579 DHY 0.9089
580 LXC 0.9089
581 TLD 0.9089
582 42C 0.9087
583 ZB1 0.9087
584 4CL 0.9087
585 TH0 0.9087
586 KJU 0.9085
587 MBG 0.9084
588 5VM 0.9084
589 8H8 0.9082
590 3Z7 0.9081
591 1WD 0.9081
592 42A 0.9081
593 MAJ 0.9080
594 B62 0.9080
595 FB2 0.9078
596 PBA 0.9077
597 3HP 0.9076
598 BR9 0.9076
599 C1M 0.9075
600 5GU 0.9074
601 36Y 0.9074
602 AJV 0.9074
603 M4E 0.9074
604 2AC 0.9070
605 ALA ALA 0.9070
606 NDH 0.9070
607 AJ2 0.9070
608 2CQ 0.9070
609 2LY 0.9069
610 3FH 0.9068
611 TIU 0.9067
612 OXZ 0.9066
613 F9Y 0.9066
614 HHH 0.9065
615 2F6 0.9065
616 ZZT 0.9065
617 N2I 0.9065
618 XYD 0.9065
619 SWD 0.9065
620 HMU 0.9064
621 G6D 0.9064
622 2MP 0.9063
623 H4N 0.9063
624 HPA 0.9063
625 RD4 0.9062
626 RBL 0.9062
627 X05 0.9061
628 XHP 0.9061
629 0FK 0.9059
630 AY4 0.9059
631 CTS 0.9059
632 FBV 0.9058
633 3C4 0.9057
634 TZF 0.9057
635 SOR 0.9057
636 C2B 0.9057
637 EDR 0.9056
638 OW7 0.9056
639 MUA 0.9055
640 4MU 0.9054
641 AZ8 0.9054
642 DMJ 0.9053
643 75K 0.9053
644 PYD 0.9053
645 TOF 0.9053
646 ZYR 0.9053
647 24B 0.9050
648 5MH 0.9050
649 1A7 0.9049
650 DS0 0.9049
651 MRZ 0.9047
652 3R6 0.9046
653 M5K 0.9044
654 FDK 0.9043
655 PMB 0.9043
656 ORN 0.9042
657 MXN 0.9042
658 PO6 0.9042
659 2O6 0.9042
660 C2A 0.9042
661 DQA 0.9042
662 36E 0.9041
663 FBU 0.9040
664 DNC 0.9040
665 37T 0.9040
666 MWP 0.9039
667 KJY 0.9038
668 TSS 0.9037
669 L14 0.9037
670 DHQ 0.9037
671 RNS 0.9036
672 6LW 0.9036
673 8G0 0.9036
674 JZ2 0.9036
675 6MP 0.9036
676 WBU 0.9033
677 GUN 0.9033
678 RHU 0.9031
679 PYF 0.9031
680 5XB 0.9030
681 14J 0.9029
682 TDR 0.9028
683 0BP 0.9027
684 SD4 0.9027
685 2FT 0.9026
686 P3K 0.9026
687 LZM 0.9025
688 F12 0.9025
689 PZM 0.9024
690 XAZ 0.9024
691 GLT 0.9024
692 S76 0.9024
693 PEP 0.9023
694 2HG 0.9023
695 9DG 0.9023
696 0FO 0.9023
697 IAC 0.9022
698 FPI 0.9022
699 2PG 0.9020
700 XSP 0.9020
701 UNJ 0.9020
702 9MG 0.9020
703 FH2 0.9019
704 AHB 0.9019
705 TGX 0.9019
706 MO8 0.9017
707 JA8 0.9017
708 4NB 0.9017
709 OTW 0.9017
710 NSP 0.9017
711 ICP 0.9016
712 PEY 0.9016
713 DEN 0.9015
714 SYN 0.9015
715 NGO 0.9014
716 10L 0.9013
717 2EC 0.9012
718 6ME 0.9012
719 8HC 0.9011
720 SEP 0.9011
721 0FN 0.9011
722 ZZ3 0.9010
723 43M 0.9010
724 4HC 0.9010
725 B57 0.9009
726 2LP 0.9008
727 5JQ 0.9008
728 HBX 0.9008
729 MNM 0.9007
730 AX3 0.9007
731 HSO 0.9006
732 JYB 0.9006
733 ALE 0.9005
734 SHG 0.9005
735 LYL 0.9004
736 O2A 0.9004
737 6M1 0.9004
738 Q24 0.9003
739 Z6J 0.9002
740 1KP 0.9002
741 5WY 0.9002
742 BDF 0.9000
743 AQO 0.9000
744 6R8 0.8999
745 3ZB 0.8999
746 3QM 0.8998
747 R9Y 0.8998
748 E7S 0.8997
749 5UC 0.8995
750 MEW 0.8994
751 MJ2 0.8994
752 XAN 0.8994
753 KYA 0.8993
754 QPR 0.8992
755 HPS 0.8991
756 3AL 0.8991
757 I3E 0.8987
758 8TX 0.8987
759 258 0.8986
760 GV9 0.8986
761 8NB 0.8985
762 BK9 0.8985
763 IND 0.8985
764 A5E 0.8984
765 APZ 0.8984
766 FB1 0.8984
767 NAG 0.8983
768 8NY 0.8983
769 ES4 0.8983
770 IWT 0.8983
771 XUL 0.8982
772 RMN 0.8981
773 7MH 0.8981
774 150 0.8981
775 B85 0.8979
776 9DA 0.8979
777 FRU 0.8978
778 6OT 0.8978
779 DQU 0.8978
780 7WG 0.8977
781 GRE 0.8977
782 R2B 0.8976
783 6KT 0.8976
784 UAN 0.8975
785 FDB 0.8975
786 EGR 0.8975
787 R9S 0.8975
788 DGN 0.8973
789 8U3 0.8973
790 AZA 0.8973
791 9R5 0.8973
792 AH8 0.8972
793 PKU 0.8972
794 DA4 0.8972
795 25W 0.8972
796 BTY 0.8972
797 NK 0.8971
798 428 0.8971
799 PEQ 0.8970
800 2MN 0.8969
801 ASN 0.8968
802 ABN 0.8968
803 JTH 0.8968
804 GAG 0.8967
805 DEE 0.8966
806 8OZ 0.8966
807 FUD 0.8965
808 TT4 0.8965
809 3PG 0.8964
810 HSE 0.8964
811 44V 0.8964
812 HG3 0.8964
813 0R0 0.8964
814 3DM 0.8963
815 BPY 0.8963
816 HLR 0.8962
817 M4S 0.8961
818 1SA 0.8960
819 94W 0.8958
820 M45 0.8958
821 GOX 0.8956
822 R2P 0.8956
823 BZI 0.8956
824 J9N 0.8955
825 B53 0.8954
826 7VP 0.8954
827 JZ3 0.8954
828 KJH 0.8954
829 PE0 0.8954
830 Q02 0.8952
831 LZ1 0.8952
832 XBT 0.8951
833 YH7 0.8951
834 TC7 0.8950
835 2AK 0.8949
836 7WA 0.8948
837 B55 0.8947
838 8NX 0.8945
839 XQG 0.8944
840 BP1 0.8944
841 4JC 0.8944
842 BZF 0.8944
843 7HP 0.8943
844 EMZ 0.8943
845 H76 0.8943
846 G5V 0.8942
847 32X 0.8942
848 IDM 0.8941
849 H62 0.8941
850 9HX 0.8941
851 IGA 0.8941
852 F4Z 0.8941
853 GZ3 0.8940
854 DIE 0.8940
855 PM6 0.8939
856 LQ2 0.8939
857 2A7 0.8938
858 4P0 0.8937
859 BTE 0.8937
860 R67 0.8936
861 GJP 0.8935
862 3SL 0.8935
863 INE 0.8935
864 MVN 0.8935
865 4BY 0.8934
866 95Z 0.8933
867 NLE 0.8932
868 3YP 0.8932
869 9PY 0.8931
870 T6C 0.8931
871 6F0 0.8931
872 4RU 0.8930
873 1AL 0.8929
874 DRL 0.8928
875 M1E 0.8927
876 FDR 0.8926
877 1MR 0.8926
878 7MX 0.8926
879 TCA 0.8926
880 60P 0.8923
881 44W 0.8923
882 PY7 0.8922
883 A2F 0.8920
884 BNL 0.8919
885 XXP 0.8918
886 4JP 0.8918
887 CFF 0.8918
888 LRH 0.8917
889 4JO 0.8916
890 13P 0.8916
891 MAN 0.8914
892 GGL 0.8913
893 PEL 0.8913
894 7ZE 0.8913
895 GBD 0.8912
896 HQ9 0.8911
897 AOS 0.8910
898 P7Y 0.8910
899 4TU 0.8910
900 45C 0.8910
901 1HN 0.8909
902 NQ 0.8908
903 MT0 0.8908
904 1XN 0.8907
905 NBE 0.8906
906 61M 0.8905
907 OHP 0.8905
908 AN3 0.8905
909 PCA 0.8903
910 9RW 0.8903
911 BOA 0.8902
912 CWJ 0.8901
913 NID 0.8901
914 ZBT 0.8900
915 0LH 0.8899
916 IUR 0.8899
917 RXA 0.8899
918 1WG 0.8899
919 DFB 0.8897
920 2TQ 0.8897
921 MPI 0.8896
922 9KT 0.8896
923 2MH 0.8895
924 JIF 0.8893
925 SNO 0.8893
926 KDV 0.8892
927 L22 0.8892
928 2GS 0.8891
929 5JL 0.8891
930 AZF 0.8891
931 TLA 0.8891
932 69O 0.8890
933 VK3 0.8890
934 HHI 0.8890
935 495 0.8887
936 GVH 0.8887
937 0CT 0.8887
938 TEP 0.8886
939 II6 0.8885
940 OKG 0.8884
941 KBZ 0.8884
942 4V2 0.8883
943 XRG 0.8883
944 LDU 0.8883
945 PHE 0.8883
946 TZE 0.8882
947 X0W 0.8881
948 ZWZ 0.8881
949 PHH 0.8879
950 1XM 0.8878
951 FBJ 0.8877
952 4BL 0.8877
953 JZ9 0.8876
954 329 0.8874
955 FUL 0.8874
956 AZG 0.8873
957 J9W 0.8872
958 141 0.8872
959 AS3 0.8871
960 6AP 0.8871
961 YPN 0.8870
962 BZJ 0.8870
963 0R1 0.8869
964 C21 0.8869
965 0MK 0.8868
966 3BU 0.8867
967 SYA 0.8866
968 TBP 0.8866
969 JZ5 0.8866
970 HX4 0.8865
971 FPY 0.8865
972 YTX 0.8864
973 5VL 0.8863
974 OXQ 0.8863
975 SMN 0.8862
976 A65 0.8861
977 209 0.8861
978 RIP 0.8860
979 M5H 0.8860
980 IDH 0.8859
981 RAM 0.8859
982 2DR 0.8858
983 4VY 0.8857
984 CFP 0.8857
985 8W9 0.8856
986 GO2 0.8856
987 9X7 0.8855
988 PQ0 0.8855
989 EV0 0.8855
990 QBM 0.8854
991 UEG 0.8854
992 R8A 0.8853
993 4JU 0.8853
994 BMA 0.8852
995 B2J 0.8852
996 4A5 0.8851
997 PRY 0.8851
998 282 0.8851
999 TAG 0.8850
1000 TZC 0.8850
1001 EN1 0.8850
1002 LKA 0.8849
1003 MZB 0.8849
1004 290 0.8848
1005 BP9 0.8847
1006 30G 0.8845
1007 MET 0.8845
1008 505 0.8845
1009 F81 0.8844
1010 URO 0.8842
1011 PRO 0.8842
1012 DX4 0.8842
1013 23J 0.8840
1014 FK8 0.8840
1015 XYS 0.8840
1016 PXM 0.8839
1017 HH5 0.8839
1018 SRO 0.8838
1019 HDL 0.8837
1020 ICF 0.8837
1021 PYQ 0.8834
1022 2CZ 0.8834
1023 BQ2 0.8833
1024 HZQ 0.8833
1025 M1Q 0.8830
1026 1L5 0.8830
1027 8IG 0.8830
1028 J6W 0.8825
1029 LEU 0.8824
1030 1DV 0.8823
1031 MB1 0.8822
1032 27B 0.8822
1033 PFB 0.8822
1034 3SK 0.8822
1035 DFU 0.8821
1036 JZ4 0.8820
1037 SR1 0.8819
1038 SF9 0.8816
1039 FA6 0.8816
1040 QX4 0.8816
1041 M6Z 0.8815
1042 2ZV 0.8815
1043 TSR 0.8814
1044 12M 0.8810
1045 EVF 0.8810
1046 PPY 0.8809
1047 K17 0.8809
1048 0VT 0.8808
1049 PH3 0.8808
1050 BZE 0.8808
1051 JFD 0.8807
1052 3WA 0.8807
1053 BCP 0.8806
1054 CXP 0.8805
1055 9YL 0.8805
1056 8XQ 0.8804
1057 2ZQ 0.8803
1058 BNF 0.8803
1059 TBS 0.8802
1060 PRF 0.8802
1061 B60 0.8802
1062 LI6 0.8801
1063 1XA 0.8800
1064 NVU 0.8799
1065 FBT 0.8799
1066 RNO 0.8797
1067 6VD 0.8797
1068 SKF 0.8795
1069 3QV 0.8795
1070 FUC 0.8794
1071 TAR 0.8793
1072 TEO 0.8793
1073 K3Q 0.8792
1074 FHN 0.8791
1075 UY7 0.8791
1076 6QF 0.8791
1077 WOT 0.8790
1078 RSF 0.8790
1079 449 0.8789
1080 JXN 0.8789
1081 PYC 0.8789
1082 OHG 0.8789
1083 3HG 0.8787
1084 1WC 0.8787
1085 APG 0.8787
1086 4HP 0.8786
1087 1QP 0.8786
1088 JBQ 0.8785
1089 MAE 0.8783
1090 1X7 0.8782
1091 HNQ 0.8781
1092 PRA 0.8779
1093 HLD 0.8779
1094 UFO 0.8778
1095 EQT 0.8778
1096 KTJ 0.8778
1097 SMV 0.8777
1098 JBN 0.8777
1099 B24 0.8776
1100 CLZ 0.8775
1101 KGK 0.8775
1102 IOS 0.8774
1103 GCO 0.8773
1104 286 0.8770
1105 E35 0.8766
1106 GZ2 0.8766
1107 GWM 0.8764
1108 SIN 0.8764
1109 APS 0.8762
1110 URP 0.8761
1111 N7I 0.8761
1112 SME 0.8760
1113 SVD 0.8760
1114 AMG 0.8759
1115 39A 0.8756
1116 K6X 0.8756
1117 JBH 0.8755
1118 5WX 0.8755
1119 PH2 0.8754
1120 2PC 0.8752
1121 I6G 0.8752
1122 TP5 0.8751
1123 344 0.8751
1124 XXR 0.8751
1125 BSP 0.8749
1126 MAQ 0.8749
1127 KMH 0.8748
1128 1U6 0.8748
1129 MSN 0.8747
1130 D07 0.8747
1131 BML 0.8747
1132 7D2 0.8745
1133 0GZ 0.8745
1134 0CU 0.8744
1135 H33 0.8743
1136 HX2 0.8743
1137 FUM 0.8743
1138 RUY 0.8741
1139 C9E 0.8741
1140 HHR 0.8740
1141 GLY PRO 0.8739
1142 PCR 0.8739
1143 HHS 0.8739
1144 ABE 0.8738
1145 A09 0.8738
1146 ANC 0.8738
1147 LYS 0.8737
1148 HQE 0.8737
1149 HY3 0.8736
1150 2BX 0.8735
1151 GOJ 0.8735
1152 6GU 0.8735
1153 7VJ 0.8733
1154 1DU 0.8732
1155 8K2 0.8732
1156 AA 0.8732
1157 O72 0.8730
1158 ARB 0.8730
1159 X09 0.8730
1160 4CH 0.8730
1161 HSM 0.8729
1162 PXY 0.8728
1163 HYP 0.8727
1164 QBK 0.8725
1165 GNM 0.8725
1166 DX3 0.8724
1167 PMF 0.8723
1168 4KL 0.8722
1169 IP0 0.8721
1170 692 0.8721
1171 1LM 0.8720
1172 28N 0.8719
1173 4HS 0.8718
1174 KYD 0.8718
1175 RBJ 0.8717
1176 APY 0.8717
1177 XIZ 0.8717
1178 FCA 0.8716
1179 I4B 0.8715
1180 51F 0.8714
1181 JU2 0.8713
1182 2AS 0.8712
1183 ANF 0.8712
1184 FF2 0.8708
1185 FOA 0.8708
1186 FHC 0.8707
1187 LAO 0.8706
1188 PG3 0.8706
1189 EXO 0.8706
1190 G3P 0.8703
1191 G3H 0.8703
1192 2QC 0.8703
1193 L7T 0.8703
1194 F1A 0.8698
1195 PLQ 0.8698
1196 9KH 0.8696
1197 3RK 0.8696
1198 091 0.8695
1199 MFU 0.8694
1200 PYJ 0.8693
1201 265 0.8693
1202 K32 0.8691
1203 2D3 0.8690
1204 XQK 0.8689
1205 OTD 0.8689
1206 ROI 0.8688
1207 7B3 0.8687
1208 F2W 0.8687
1209 X0U 0.8686
1210 NTZ 0.8685
1211 2K8 0.8684
1212 GBN 0.8683
1213 LSA 0.8683
1214 SXS 0.8682
1215 25R 0.8682
1216 SS2 0.8679
1217 KMT 0.8677
1218 HXX 0.8676
1219 G12 0.8675
1220 GIO 0.8675
1221 4LW 0.8675
1222 TFU 0.8674
1223 S0E 0.8674
1224 FPN 0.8673
1225 DA1 0.8673
1226 M2H 0.8672
1227 4JN 0.8671
1228 LG4 0.8671
1229 AIN 0.8666
1230 RM4 0.8665
1231 SYR 0.8664
1232 HCI 0.8664
1233 GHM 0.8663
1234 152 0.8662
1235 FUF 0.8662
1236 CRS 0.8662
1237 F4K 0.8661
1238 0XT 0.8659
1239 PGH 0.8658
1240 ADK 0.8658
1241 SG2 0.8657
1242 BNT 0.8656
1243 5CL 0.8655
1244 NDG 0.8654
1245 680 0.8653
1246 FCB 0.8651
1247 MHK 0.8650
1248 CIY 0.8649
1249 RCO 0.8649
1250 64K 0.8647
1251 NDM 0.8647
1252 273 0.8647
1253 K8X 0.8646
1254 KFH 0.8645
1255 7CZ 0.8643
1256 2KA 0.8642
1257 LDR 0.8642
1258 MFB 0.8641
1259 S7J 0.8638
1260 BPU 0.8638
1261 IOL 0.8636
1262 5NS 0.8634
1263 1Z6 0.8631
1264 FBF 0.8631
1265 K22 0.8629
1266 5NE 0.8627
1267 DNA 0.8625
1268 THA 0.8625
1269 HEW 0.8622
1270 0TR 0.8622
1271 JP2 0.8621
1272 MZW 0.8620
1273 JF2 0.8615
1274 DTL 0.8615
1275 YZM 0.8615
1276 6DP 0.8614
1277 284 0.8614
1278 H5B 0.8613
1279 GCW 0.8613
1280 X48 0.8611
1281 Q71 0.8606
1282 CIT 0.8605
1283 3R4 0.8604
1284 GP9 0.8601
1285 JAB 0.8601
1286 0OC 0.8600
1287 57O 0.8598
1288 7I2 0.8597
1289 4I8 0.8595
1290 T9G 0.8594
1291 4H2 0.8594
1292 B5D 0.8594
1293 6X9 0.8591
1294 J1Z 0.8591
1295 TZM 0.8586
1296 JUG 0.8586
1297 V1T 0.8585
1298 9AP 0.8582
1299 JXW 0.8582
1300 HKD 0.8582
1301 JF1 0.8581
1302 CKA 0.8581
1303 DPT 0.8581
1304 LZ2 0.8579
1305 DRG 0.8578
1306 7ME 0.8577
1307 KIB 0.8576
1308 PFL 0.8575
1309 4NZ 0.8574
1310 M3T 0.8574
1311 HGQ 0.8573
1312 AES 0.8568
1313 9UL 0.8565
1314 CK2 0.8564
1315 23W 0.8564
1316 3J8 0.8561
1317 BP7 0.8559
1318 E3D 0.8556
1319 PEZ 0.8550
1320 DHC 0.8550
1321 X8D 0.8548
1322 P9E 0.8544
1323 B3R 0.8544
1324 1VK 0.8535
1325 JR2 0.8534
1326 2CL 0.8529
1327 A9P 0.8525
1328 INS 0.8518
1329 NCD 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5OFW; Ligand: 9TW; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 5ofw.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5DN9 NAD 43.9462
2 5DN9 NAD 43.9462
Pocket No.: 2; Query (leader) PDB : 5OFW; Ligand: 9TW; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 5ofw.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5DN9 NAD 43.9462
2 5DN9 NAD 43.9462
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