Receptor
PDB id Resolution Class Description Source Keywords
1PAX 2.4 Å EC: 2.4.2.30 THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE GALLUS GALLUS TRANSFERASE GLYCOSYLTRANSFERASE NAD(+) ADP- RIBOSYLTRANSFERASE
Ref.: STRUCTURE OF THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE FROM CHICKEN. PROC.NATL.ACAD.SCI.USA V. 93 7481 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DHQ A:200;
 Valid;
 none;
 submit data
161.2 C10 H11 N O Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1EFY 2.2 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF THE CATALYTIC FRAGMENT OF POLY (ADP-RIB POLYMERASE COMPLEXED WITH A BENZIMIDAZOLE INHIBITOR GALLUS GALLUS BENZIMIDAZOLE INHIBITOR CATALYTIC FRAGMENT POLYMERASE TR
Ref.: RESISTANCE-MODIFYING AGENTS. 9. SYNTHESIS AND BIOLO PROPERTIES OF BENZIMIDAZOLE INHIBITORS OF THE DNA R ENZYME POLY(ADP-RIBOSE) POLYMERASE. J.MED.CHEM. V. 43 4084 2000
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 2PAX ic50 = 0.18 uM 4AN C12 H8 N2 O2 c1cc2c(ccc....
2 3PAX ic50 = 10 uM 3MB C8 H9 N O2 COc1cccc(c....
3 1EFY Ki = 6 nM BZC C15 H13 N3 O2 COc1cccc(c....
4 1PAX - DHQ C10 H11 N O Cc1cccc2c1....
5 6I8T - H7Z C21 H29 N3 O2 C[C@@H]1c2....
6 6I8M - H7W C21 H29 N3 O2 C[C@H]1c2c....
7 1A26 - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
70% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 5XSU Kd = 180 nM 8E3 C15 H13 F N4 O2 c1c(cc2c(c....
2 4R6E ic50 = 132 nM 3JD C19 H20 N4 O c1cc2cn(nc....
3 4ZZZ Kd = 0.087 uM FSU C13 H16 N2 O3 COCCCN1Cc2....
4 5XSR Kd = 0.000000064 M 8EC C15 H13 F N4 O S c1c(cc2c(c....
5 6VKK - RPB C19 H18 F N3 O CNCc1ccc(c....
6 3GJW Ki = 0.005 uM GJW C16 H17 N3 O c1cc2n(c1)....
7 4L6S Kd = 0.003 uM 1WQ C21 H21 Cl N2 O2 C[C@H]1C(=....
8 4HHY ic50 = 1.92 nM 15R C33 H30 F N5 O4 c1ccc2c(c1....
9 4UND - 2YQ C19 H14 F2 N6 O Cn1c(ncn1)....
10 5XST ic50 = 27 nM 8E6 C15 H13 F N4 O S c1c(cc2c(c....
11 3L3L Ki = 33 nM L3L C14 H17 N3 O2 c1cc2c(c(c....
12 4PJT ic50 = 0.57 nM 2YQ C19 H14 F2 N6 O Cn1c(ncn1)....
13 3L3M Ki = 0.006 uM A92 C19 H19 F N4 O c1cc(c2c(c....
14 6XVW - O3H C19 H21 N5 O S c1ccc2c(c1....
15 2PAX ic50 = 0.18 uM 4AN C12 H8 N2 O2 c1cc2c(ccc....
16 3PAX ic50 = 10 uM 3MB C8 H9 N O2 COc1cccc(c....
17 1EFY Ki = 6 nM BZC C15 H13 N3 O2 COc1cccc(c....
18 1PAX - DHQ C10 H11 N O Cc1cccc2c1....
19 6I8T - H7Z C21 H29 N3 O2 C[C@@H]1c2....
20 6I8M - H7W C21 H29 N3 O2 C[C@H]1c2c....
21 1A26 - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
50% Homology Family (46)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 5XSU Kd = 180 nM 8E3 C15 H13 F N4 O2 c1c(cc2c(c....
2 4R6E ic50 = 132 nM 3JD C19 H20 N4 O c1cc2cn(nc....
3 4ZZZ Kd = 0.087 uM FSU C13 H16 N2 O3 COCCCN1Cc2....
4 5XSR Kd = 0.000000064 M 8EC C15 H13 F N4 O S c1c(cc2c(c....
5 6VKK - RPB C19 H18 F N3 O CNCc1ccc(c....
6 3GJW Ki = 0.005 uM GJW C16 H17 N3 O c1cc2n(c1)....
7 4L6S Kd = 0.003 uM 1WQ C21 H21 Cl N2 O2 C[C@H]1C(=....
8 4HHY ic50 = 1.92 nM 15R C33 H30 F N5 O4 c1ccc2c(c1....
9 4UND - 2YQ C19 H14 F2 N6 O Cn1c(ncn1)....
10 5XST ic50 = 27 nM 8E6 C15 H13 F N4 O S c1c(cc2c(c....
11 3L3L Ki = 33 nM L3L C14 H17 N3 O2 c1cc2c(c(c....
12 4PJT ic50 = 0.57 nM 2YQ C19 H14 F2 N6 O Cn1c(ncn1)....
13 3L3M Ki = 0.006 uM A92 C19 H19 F N4 O c1cc(c2c(c....
14 6XVW - O3H C19 H21 N5 O S c1ccc2c(c1....
15 4TVJ ic50 = 251 nM 09L C24 H23 F N4 O3 c1ccc2c(c1....
16 4ZZY Kd = 1.389 uM D7N C20 H24 F3 N3 O2 c1c(cc(c2c....
17 4PJV - 2YQ C19 H14 F2 N6 O Cn1c(ncn1)....
18 3KCZ - 3AB C7 H8 N2 O c1cc(cc(c1....
19 3KJD Kd = 2.9 nM 78P C13 H16 N4 O C[C@@]1(CC....
20 4ZZX Kd = 0.125 uM FSU C13 H16 N2 O3 COCCCN1Cc2....
21 3C4H Kd = 2 uM DRL C8 H10 N2 O S CC1=NC2=C(....
22 4L7P - M95 C20 H19 N3 O3 c1ccc(cc1)....
23 4L7L - 1VA C20 H21 N3 O3 c1ccc(cc1)....
24 4L7N - 1VB C19 H20 N4 O4 S C[C@@H](c1....
25 4L7R - M00 C15 H19 N3 O3 CC[C@@H](C....
26 4L6Z - 1DC C18 H18 N4 O2 C[C@@H](c1....
27 3FHB Kd > 2 uM GAB C7 H7 N O2 c1cc(cc(c1....
28 4L70 - 1V9 C20 H21 N3 O2 CC[C@@H](c....
29 4GV4 ic50 = 0.89 uM MEJ C19 H19 N3 O2 C[C@@H](c1....
30 4GV0 ic50 = 1.3 uM 8ME C18 H18 N4 O2 C[C@@H](c1....
31 4L7O - 1VD C22 H21 N5 O2 C[C@@H](c1....
32 4GV2 - 5ME C18 H18 N4 O2 C[C@H](c1c....
33 6NRG ic50 = 56 nM KYY C17 H12 F N5 O3 c1cc2c(c(o....
34 6NRJ ic50 = 36 nM KYJ C26 H20 N4 O4 c1ccc2c(c1....
35 6NRI ic50 = 27 nM KYM C25 H21 N5 O4 c1cc2c(c(c....
36 6NTU - GLC FRU n/a n/a
37 6NRF ic50 = 18 nM KYV C28 H25 N5 O4 c1ccc2c(c1....
38 6NRH ic50 = 55 nM KYP C25 H23 N5 O4 c1cc2c(c(o....
39 6BHV Kd = 5.87 uM DQV C22 H28 N6 O14 P2 c1cc(cc(c1....
40 2PAX ic50 = 0.18 uM 4AN C12 H8 N2 O2 c1cc2c(ccc....
41 3PAX ic50 = 10 uM 3MB C8 H9 N O2 COc1cccc(c....
42 1EFY Ki = 6 nM BZC C15 H13 N3 O2 COc1cccc(c....
43 1PAX - DHQ C10 H11 N O Cc1cccc2c1....
44 6I8T - H7Z C21 H29 N3 O2 C[C@@H]1c2....
45 6I8M - H7W C21 H29 N3 O2 C[C@H]1c2c....
46 1A26 - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DHQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 DHQ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: DHQ; Similar ligands found: 922
No: Ligand Similarity coefficient
1 32X 0.9928
2 3WA 0.9789
3 24W 0.9759
4 3M0 0.9750
5 7B4 0.9734
6 3F0 0.9725
7 1LQ 0.9701
8 DBH 0.9699
9 1SQ 0.9695
10 3HA 0.9694
11 4YS 0.9685
12 5SG 0.9682
13 HQY 0.9678
14 HLZ 0.9677
15 5IQ 0.9676
16 AJV 0.9674
17 JPZ 0.9668
18 5Q0 0.9665
19 4XH 0.9661
20 M0Q 0.9659
21 ES1 0.9658
22 HH8 0.9655
23 B60 0.9652
24 N5J 0.9645
25 JUG 0.9640
26 M0W 0.9635
27 MAQ 0.9623
28 G1O 0.9609
29 ADZ 0.9606
30 0P6 0.9600
31 O72 0.9591
32 JBH 0.9585
33 1NP 0.9585
34 FE DB1 0.9581
35 1LM 0.9574
36 SVN 0.9572
37 I3A 0.9567
38 ISN 0.9551
39 7VS 0.9548
40 JBQ 0.9547
41 HHA 0.9547
42 HQT 0.9544
43 3IT 0.9544
44 6M9 0.9542
45 JBK 0.9538
46 KKN 0.9536
47 12Q 0.9530
48 5WX 0.9530
49 9MG 0.9519
50 M1H 0.9518
51 JXN 0.9505
52 KUF 0.9500
53 A7W 0.9496
54 2EC 0.9496
55 8CM 0.9494
56 7HQ 0.9491
57 F05 0.9486
58 SAL 0.9485
59 FOT 0.9484
60 ES7 0.9480
61 CWS 0.9475
62 DIN 0.9472
63 FDB 0.9469
64 1XN 0.9469
65 7W4 0.9465
66 0W8 0.9464
67 G6D 0.9463
68 5QX 0.9462
69 HLR 0.9461
70 2CK 0.9459
71 BHO 0.9455
72 4HC 0.9453
73 7B3 0.9453
74 TOF 0.9453
75 SKA 0.9451
76 PE0 0.9449
77 9EW 0.9449
78 GLC 0.9447
79 5WV 0.9446
80 Q24 0.9445
81 AZ8 0.9442
82 25W 0.9435
83 G3F 0.9435
84 EQT 0.9433
85 KJY 0.9432
86 4AA 0.9432
87 QUZ 0.9432
88 PXL 0.9431
89 IJZ 0.9430
90 6M4 0.9430
91 0RW 0.9429
92 DBJ 0.9427
93 KT7 0.9422
94 7W1 0.9421
95 BE2 0.9421
96 AZ9 0.9418
97 UNC 0.9417
98 6M1 0.9417
99 6F0 0.9416
100 495 0.9416
101 NDM 0.9416
102 5RG 0.9412
103 M5K 0.9411
104 MRW 0.9410
105 GRE 0.9409
106 ISE 0.9409
107 XQ0 0.9405
108 KJH 0.9405
109 AQO 0.9405
110 MEW 0.9403
111 CTS 0.9402
112 HQD 0.9397
113 HJP 0.9390
114 R8V 0.9388
115 BTE 0.9386
116 DRL 0.9380
117 JKE 0.9379
118 6MP 0.9378
119 AJ2 0.9375
120 C2U 0.9375
121 NPY 0.9374
122 7VJ 0.9374
123 BGC 0.9371
124 YSO 0.9371
125 5NE 0.9369
126 2D0 0.9366
127 MUA 0.9366
128 5RO 0.9365
129 NDH 0.9363
130 ZVO 0.9362
131 GTQ 0.9362
132 5M0 0.9358
133 3U4 0.9357
134 ASC 0.9357
135 PYQ 0.9357
136 L3Q 0.9356
137 F5B 0.9356
138 HPA 0.9356
139 G5V 0.9352
140 HZQ 0.9350
141 X05 0.9349
142 SWD 0.9348
143 M1E 0.9345
144 K5W 0.9340
145 CFF 0.9339
146 EXO 0.9337
147 ES0 0.9337
148 DMD 0.9336
149 9TZ 0.9336
150 E7Z 0.9335
151 B57 0.9334
152 39A 0.9328
153 GOG 0.9327
154 PQ0 0.9326
155 3ID 0.9325
156 G3E 0.9325
157 Q88 0.9325
158 1P7 0.9324
159 NMJ 0.9324
160 M1Q 0.9323
161 1WG 0.9323
162 BP1 0.9323
163 DQN 0.9322
164 0N7 0.9320
165 DPZ 0.9320
166 MO8 0.9320
167 JBE 0.9319
168 MT0 0.9319
169 M1A 0.9314
170 B62 0.9314
171 PRF 0.9313
172 COU 0.9310
173 2ZV 0.9307
174 INS 0.9304
175 ES6 0.9304
176 9DG 0.9303
177 4SV 0.9302
178 2CQ 0.9301
179 SWA 0.9300
180 86J 0.9300
181 1KP 0.9299
182 03V 0.9297
183 SJ5 0.9296
184 DQU 0.9296
185 GUN 0.9296
186 Q7A 0.9295
187 AZA 0.9294
188 3FH 0.9293
189 LZM 0.9292
190 CWM 0.9291
191 CTL 0.9291
192 EA1 0.9290
193 GAL 0.9289
194 XAN 0.9284
195 PFB 0.9283
196 XXR 0.9281
197 M6N 0.9281
198 ADE 0.9280
199 SYV 0.9279
200 1WD 0.9279
201 D48 0.9279
202 141 0.9277
203 2AK 0.9276
204 150 0.9274
205 7ZE 0.9274
206 42A 0.9273
207 3Z8 0.9273
208 XHP 0.9272
209 LT2 0.9272
210 3AB 0.9271
211 OCH 0.9269
212 DIU 0.9269
213 23A 0.9268
214 12B 0.9268
215 44W 0.9267
216 7HP 0.9266
217 7WV 0.9265
218 J9W 0.9264
219 8GC 0.9263
220 2AQ 0.9263
221 4JT 0.9262
222 UEG 0.9262
223 SE2 0.9261
224 TEP 0.9261
225 3NT 0.9259
226 4FS 0.9257
227 BRT 0.9256
228 54G 0.9256
229 6CS 0.9256
230 5B1 0.9255
231 FA0 0.9252
232 ES4 0.9252
233 ES5 0.9251
234 A29 0.9250
235 LSA 0.9250
236 3DO 0.9245
237 680 0.9245
238 8S0 0.9244
239 J5I 0.9244
240 92K 0.9243
241 IGA 0.9243
242 9DA 0.9243
243 5RN 0.9243
244 D07 0.9242
245 BDP 0.9242
246 APZ 0.9240
247 JB5 0.9238
248 6ME 0.9235
249 10L 0.9234
250 5WY 0.9232
251 PM6 0.9231
252 6AP 0.9231
253 BEA 0.9230
254 7WA 0.9228
255 3HB 0.9228
256 A2F 0.9226
257 B53 0.9224
258 OVV 0.9223
259 N8Y 0.9222
260 GCS 0.9222
261 MT5 0.9218
262 SHG 0.9215
263 YH7 0.9215
264 OTW 0.9215
265 DOB 0.9213
266 4Z4 0.9213
267 5MK 0.9213
268 44V 0.9212
269 AZG 0.9211
270 9HX 0.9211
271 5HN 0.9211
272 GAB 0.9210
273 WCE 0.9210
274 5CU 0.9209
275 MVL 0.9209
276 3PF 0.9209
277 UAN 0.9208
278 BHA 0.9202
279 37T 0.9202
280 ORO 0.9201
281 45C 0.9199
282 RAM 0.9192
283 0FO 0.9191
284 290 0.9190
285 MWP 0.9189
286 Q6T 0.9189
287 TTL 0.9189
288 DOR 0.9186
289 H42 0.9186
290 OXC 0.9180
291 GXY 0.9179
292 1XM 0.9179
293 NQ 0.9178
294 7NI 0.9178
295 5QY 0.9178
296 5NU 0.9176
297 LGC 0.9175
298 MVN 0.9175
299 FBT 0.9175
300 3SK 0.9174
301 LKA 0.9173
302 4M0 0.9172
303 42C 0.9171
304 CLZ 0.9170
305 2HQ 0.9170
306 QWN 0.9170
307 BZX 0.9167
308 X09 0.9166
309 GYE 0.9165
310 XYP 0.9165
311 14O 0.9164
312 3BZ 0.9164
313 BOA 0.9163
314 4MU 0.9162
315 BK9 0.9162
316 CFP 0.9159
317 67N 0.9155
318 1DW 0.9152
319 06B 0.9150
320 173 0.9150
321 FLV 0.9149
322 LXC 0.9148
323 6AI 0.9147
324 TTY 0.9146
325 5H1 0.9146
326 2ZQ 0.9146
327 AHR 0.9145
328 VNL 0.9142
329 SX1 0.9141
330 AKH 0.9141
331 NTM 0.9139
332 JXW 0.9138
333 I1N 0.9138
334 5OB 0.9136
335 WOO 0.9136
336 4JQ 0.9135
337 IDM 0.9135
338 GCB 0.9133
339 VK3 0.9132
340 QX4 0.9132
341 URC 0.9128
342 PXM 0.9128
343 TC7 0.9128
344 ABV 0.9127
345 F60 0.9126
346 TH7 0.9126
347 ICO 0.9120
348 9KT 0.9120
349 DX4 0.9119
350 PH2 0.9119
351 NOJ 0.9116
352 4NC 0.9115
353 XX2 0.9115
354 FYU 0.9115
355 PCI 0.9113
356 HH5 0.9111
357 HFB 0.9110
358 5MB 0.9109
359 5MI 0.9106
360 6VD 0.9106
361 XQG 0.9105
362 PHH 0.9105
363 ALL 0.9105
364 2K4 0.9103
365 LI6 0.9102
366 RXA 0.9098
367 F4Z 0.9098
368 4CS 0.9095
369 SHA 0.9094
370 HHR 0.9093
371 SRO 0.9093
372 UQ 0.9093
373 GOX 0.9088
374 3MB 0.9087
375 18N 0.9086
376 QXW 0.9084
377 1U6 0.9082
378 AW5 0.9081
379 2FQ 0.9080
380 P9P 0.9079
381 MYJ 0.9079
382 DHB 0.9077
383 BEN 0.9076
384 BZF 0.9075
385 OA3 0.9075
386 NNO 0.9075
387 226 0.9074
388 NTZ 0.9074
389 JU2 0.9073
390 SYA 0.9072
391 BEZ 0.9071
392 OW4 0.9071
393 EVA 0.9069
394 V55 0.9069
395 53C 0.9069
396 1PT 0.9068
397 39O 0.9068
398 JAE 0.9068
399 ES9 0.9068
400 FBV 0.9065
401 6GU 0.9065
402 FHB 0.9065
403 3DM 0.9065
404 PHT 0.9061
405 270 0.9061
406 75K 0.9061
407 AX7 0.9061
408 BTY 0.9059
409 82I 0.9058
410 KJU 0.9058
411 ADK 0.9057
412 DEN 0.9056
413 CHB 0.9055
414 Q77 0.9052
415 0CU 0.9049
416 4ME 0.9049
417 F0J 0.9048
418 SXS 0.9046
419 8TX 0.9045
420 5CL 0.9043
421 F3B 0.9042
422 BZ3 0.9041
423 11S 0.9040
424 NIO 0.9040
425 HA7 0.9040
426 NCA 0.9040
427 OVM 0.9039
428 RPQ 0.9038
429 9TW 0.9037
430 DIE 0.9035
431 GCU 0.9035
432 BAM 0.9035
433 GCW 0.9033
434 XAZ 0.9033
435 IV2 0.9031
436 IND 0.9030
437 INO 0.9030
438 NID 0.9030
439 MQN 0.9027
440 HTP 0.9026
441 GVH 0.9026
442 AFR 0.9024
443 VOH 0.9024
444 FK1 0.9024
445 HMH 0.9024
446 2HO 0.9022
447 INE 0.9020
448 IBF 0.9020
449 0TR 0.9020
450 4HM 0.9018
451 DNF 0.9016
452 KFH 0.9016
453 8OZ 0.9016
454 93K 0.9015
455 JYB 0.9013
456 0TU 0.9012
457 SRT 0.9012
458 5JQ 0.9012
459 4YO 0.9012
460 XM0 0.9011
461 NBZ 0.9011
462 DBX 0.9011
463 8ZE 0.9011
464 KLW 0.9010
465 3MA 0.9010
466 QSB 0.9009
467 DFB 0.9008
468 QX2 0.9008
469 TBS 0.9008
470 PA1 0.9006
471 JXZ 0.9006
472 KIB 0.9005
473 H4N 0.9004
474 4A3 0.9003
475 BZI 0.9002
476 F81 0.9002
477 RM1 0.9001
478 HNQ 0.8999
479 OVP 0.8999
480 GIO 0.8998
481 SOE 0.8998
482 8XQ 0.8997
483 4JP 0.8995
484 6PC 0.8994
485 5GU 0.8994
486 0R1 0.8993
487 XCZ 0.8993
488 QWW 0.8992
489 5NS 0.8991
490 RM4 0.8991
491 GDE 0.8991
492 4M4 0.8991
493 EUG 0.8991
494 X8D 0.8990
495 HIO 0.8990
496 QBK 0.8990
497 CFI 0.8989
498 2KA 0.8988
499 AJY 0.8988
500 0CT 0.8987
501 329 0.8986
502 8H8 0.8986
503 GIM 0.8986
504 RMN 0.8983
505 EJZ 0.8983
506 TAR 0.8983
507 K17 0.8982
508 MPI 0.8980
509 9FL 0.8979
510 5XC 0.8977
511 B55 0.8974
512 JG8 0.8973
513 3HM 0.8973
514 FDR 0.8972
515 2LY 0.8972
516 EYK 0.8971
517 3RK 0.8970
518 PZA 0.8969
519 I6G 0.8967
520 BMA 0.8965
521 FB1 0.8965
522 J9T 0.8964
523 LZ1 0.8963
524 JLZ 0.8962
525 KIA 0.8961
526 5JL 0.8960
527 2MI 0.8960
528 3MG 0.8959
529 51R 0.8959
530 7MU 0.8958
531 VGL 0.8957
532 NK 0.8957
533 JZ3 0.8956
534 94B 0.8955
535 QAS 0.8955
536 LZ2 0.8953
537 2H5 0.8952
538 SKM 0.8952
539 G12 0.8951
540 20J 0.8950
541 8WO 0.8950
542 9RW 0.8950
543 BCP 0.8950
544 0JD 0.8950
545 GJS 0.8950
546 M2K 0.8950
547 NTN 0.8949
548 MZB 0.8948
549 GM7 0.8948
550 FBB 0.8948
551 VNJ 0.8946
552 7CZ 0.8943
553 6KX 0.8941
554 6LW 0.8941
555 CN0 0.8940
556 AEZ 0.8940
557 ASO 0.8939
558 QPR 0.8939
559 VGD 0.8936
560 UNU 0.8936
561 JZ9 0.8936
562 RNS 0.8935
563 92P 0.8934
564 KBG 0.8933
565 8IG 0.8933
566 3R6 0.8932
567 45L 0.8932
568 N2I 0.8930
569 209 0.8930
570 36R 0.8929
571 24B 0.8928
572 CLW 0.8928
573 YCP 0.8927
574 A13 0.8925
575 A65 0.8923
576 FUL 0.8923
577 PHE 0.8922
578 3GQ 0.8922
579 8WT 0.8922
580 1P8 0.8922
581 ES2 0.8922
582 JFD 0.8921
583 HMU 0.8920
584 P92 0.8920
585 ZYR 0.8920
586 EKZ 0.8920
587 9CA 0.8918
588 0LH 0.8918
589 TGX 0.8918
590 FCB 0.8916
591 XYS 0.8916
592 HIS 0.8915
593 5WU 0.8914
594 C2Y 0.8914
595 8NY 0.8913
596 6BL 0.8913
597 FBW 0.8912
598 H33 0.8912
599 ROI 0.8911
600 KBB 0.8911
601 ADA 0.8911
602 F12 0.8911
603 6RQ 0.8910
604 GZ8 0.8910
605 948 0.8909
606 MS9 0.8909
607 KYD 0.8908
608 Q71 0.8908
609 1IT 0.8906
610 ZZT 0.8906
611 URF 0.8904
612 IHB 0.8903
613 G2F 0.8900
614 4TU 0.8900
615 PEY 0.8899
616 IFL 0.8897
617 FGZ 0.8895
618 QSC 0.8894
619 BBF 0.8893
620 MR1 0.8893
621 3Z7 0.8893
622 BSP 0.8892
623 GT0 0.8892
624 HKD 0.8891
625 K2T 0.8889
626 7ME 0.8889
627 SOR 0.8886
628 GTR 0.8885
629 YQA 0.8883
630 PBC 0.8883
631 BCU 0.8880
632 DX3 0.8877
633 NIZ 0.8876
634 LNR 0.8875
635 ET2 0.8874
636 FSW 0.8873
637 HXX 0.8873
638 TDR 0.8873
639 F31 0.8870
640 SMN 0.8870
641 ISZ 0.8869
642 GAG 0.8869
643 0MK 0.8868
644 OAA 0.8865
645 1P3 0.8865
646 NPO 0.8865
647 PZI 0.8864
648 QAT 0.8864
649 NK2 0.8863
650 WBU 0.8859
651 SS1 0.8856
652 FUC 0.8852
653 PQK 0.8852
654 GTZ 0.8849
655 TH0 0.8847
656 NSP 0.8847
657 ARA 0.8847
658 0FN 0.8846
659 JND 0.8845
660 069 0.8845
661 15E 0.8844
662 2FG 0.8844
663 BCF 0.8842
664 GLA 0.8842
665 T6C 0.8841
666 5VM 0.8840
667 23J 0.8840
668 60P 0.8839
669 DHK 0.8839
670 PX7 0.8838
671 OXQ 0.8837
672 UFO 0.8836
673 LYL 0.8835
674 IFM 0.8834
675 PHB 0.8833
676 34A 0.8832
677 2AL 0.8832
678 B5D 0.8831
679 XYD 0.8831
680 2MP 0.8829
681 MAN 0.8827
682 QSH 0.8827
683 ARB 0.8825
684 AZF 0.8822
685 275 0.8821
686 LCN 0.8820
687 GMN 0.8819
688 FBU 0.8818
689 4KL 0.8817
690 0XT 0.8817
691 293 0.8816
692 MWM 0.8815
693 1Y6 0.8813
694 APS 0.8813
695 PYG 0.8813
696 7MH 0.8813
697 0FK 0.8812
698 3XX 0.8811
699 HQJ 0.8811
700 4VS 0.8811
701 MNM 0.8810
702 9R5 0.8810
703 PAB 0.8809
704 ODO 0.8809
705 4MA 0.8807
706 5UC 0.8806
707 DMJ 0.8806
708 KOJ 0.8805
709 FH2 0.8805
710 AC0 0.8803
711 43M 0.8803
712 3OC 0.8803
713 5MH 0.8802
714 BDF 0.8802
715 XBZ 0.8800
716 4FH 0.8799
717 ARP 0.8798
718 1MC 0.8798
719 Z5P 0.8798
720 64K 0.8798
721 ZZ8 0.8797
722 MBD 0.8796
723 0R0 0.8796
724 4HO 0.8795
725 2A9 0.8795
726 FBG 0.8795
727 TAG 0.8792
728 4ZE 0.8791
729 97T 0.8791
730 SR4 0.8791
731 4ZC 0.8790
732 P72 0.8790
733 4JO 0.8788
734 F1A 0.8788
735 D1X 0.8788
736 MCT 0.8787
737 K6X 0.8787
738 HX3 0.8787
739 2AC 0.8787
740 XYL 0.8786
741 PBZ 0.8786
742 IUR 0.8784
743 GZL 0.8783
744 091 0.8783
745 YIO 0.8782
746 IDH 0.8781
747 IFP 0.8780
748 ICP 0.8775
749 PYD 0.8775
750 SW7 0.8775
751 FLM 0.8774
752 FDK 0.8774
753 L7T 0.8771
754 4AN 0.8770
755 DUB 0.8770
756 MFU 0.8770
757 3MC 0.8769
758 MIG 0.8766
759 GCV 0.8766
760 MBG 0.8765
761 RIP 0.8764
762 L5V 0.8763
763 FCA 0.8762
764 TSS 0.8762
765 P3K 0.8761
766 NOY 0.8761
767 RHU 0.8760
768 N8P 0.8760
769 8GK 0.8760
770 APG 0.8759
771 FUD 0.8758
772 4P0 0.8757
773 GOO 0.8757
774 286 0.8756
775 826 0.8756
776 TM7 0.8755
777 GAF 0.8755
778 R8A 0.8753
779 7WR 0.8752
780 NVU 0.8751
781 F9Y 0.8749
782 FFP 0.8749
783 HBD 0.8748
784 J9Q 0.8747
785 X0V 0.8747
786 OXZ 0.8746
787 8HC 0.8746
788 R9Y 0.8746
789 149 0.8745
790 4P5 0.8745
791 3NY 0.8745
792 HT4 0.8744
793 2YU 0.8744
794 BPU 0.8743
795 2C9 0.8742
796 4CL 0.8741
797 RJY 0.8741
798 A1U 0.8741
799 IT2 0.8739
800 B0D 0.8739
801 0F9 0.8735
802 HA5 0.8731
803 2MY 0.8731
804 BNT 0.8730
805 Z82 0.8729
806 KGK 0.8728
807 1GN 0.8727
808 M3S 0.8724
809 QOS 0.8723
810 9PY 0.8723
811 D3M 0.8722
812 PBR 0.8719
813 TWO 0.8718
814 0HO 0.8717
815 95Z 0.8716
816 3FA 0.8714
817 8W9 0.8713
818 MJ2 0.8710
819 AMG 0.8708
820 DGJ 0.8707
821 JZ2 0.8706
822 0HN 0.8704
823 W81 0.8702
824 3MH 0.8702
825 GCO 0.8702
826 94W 0.8700
827 ZZZ 0.8700
828 PDC 0.8700
829 ABE 0.8698
830 261 0.8698
831 6MH 0.8697
832 FP1 0.8696
833 4JJ 0.8696
834 64C 0.8696
835 4RU 0.8696
836 OMD 0.8694
837 RUY 0.8694
838 3CE 0.8692
839 HY3 0.8692
840 IPB 0.8690
841 FUF 0.8689
842 LRH 0.8688
843 X6X 0.8685
844 TLD 0.8680
845 2CM 0.8680
846 6NT 0.8679
847 GSY 0.8678
848 5JC 0.8677
849 A09 0.8676
850 52C 0.8675
851 MZG 0.8675
852 35C 0.8674
853 FPY 0.8672
854 2BG 0.8671
855 28N 0.8669
856 FB2 0.8667
857 FAN 0.8665
858 DFU 0.8665
859 GXL 0.8664
860 XIY 0.8663
861 PRZ 0.8661
862 JIF 0.8660
863 7D2 0.8660
864 K34 0.8659
865 AC6 0.8658
866 SVD 0.8656
867 2ZM 0.8656
868 UFV 0.8653
869 RIB 0.8652
870 LDR 0.8651
871 FPK 0.8651
872 9LI 0.8646
873 ABI 0.8644
874 MMA 0.8642
875 K32 0.8640
876 260 0.8639
877 GIV 0.8639
878 AIN 0.8636
879 ZWZ 0.8635
880 MT8 0.8632
881 PAF 0.8631
882 MWJ 0.8631
883 X0W 0.8626
884 6NI 0.8626
885 DNA 0.8625
886 M5N 0.8623
887 PMB 0.8622
888 1F1 0.8616
889 GV9 0.8615
890 PHU 0.8615
891 JKZ 0.8613
892 DEE 0.8612
893 4SX 0.8612
894 SMV 0.8607
895 1M2 0.8605
896 ESI 0.8603
897 TLA 0.8602
898 30G 0.8594
899 EOL 0.8594
900 PAC 0.8592
901 3C1 0.8592
902 SFU 0.8591
903 1WC 0.8590
904 3A9 0.8586
905 ENL 0.8584
906 2GS 0.8581
907 H62 0.8581
908 14J 0.8572
909 MSN 0.8572
910 5NI 0.8572
911 15N 0.8562
912 JZ1 0.8560
913 XXP 0.8558
914 DNC 0.8550
915 PFL 0.8547
916 1X7 0.8540
917 ARW 0.8539
918 G4D 0.8532
919 TP5 0.8531
920 AAS 0.8523
921 PSV 0.8519
922 FCR 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1EFY; Ligand: BZC; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1efy.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 6W65 T9D 10.1083
2 6W65 T9D 10.1083
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