Receptor
PDB id Resolution Class Description Source Keywords
3PAX 2.4 Å EC: 2.4.2.30 THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH 3-METHOXYBENZAMIDE GALLUS GALLUS TRANSFERASE GLYCOSYLTRANSFERASE NAD(+) ADP- RIBOSYLTRANSFERASE
Ref.: INHIBITOR AND NAD+ BINDING TO POLY(ADP-RIBOSE) POLYMERASE AS DERIVED FROM CRYSTAL STRUCTURES AND HOMOLOGY MODELING. BIOCHEMISTRY V. 37 3893 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3MB A:1;
 Valid;
 none;
 ic50 = 10 uM
151.163 C8 H9 N O2 COc1c...
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: 3MB; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3MB 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 3MB; Similar ligands found: 1127
No: Ligand Similarity coefficient
1 OVM 0.9913
2 OW4 0.9909
3 OVP 0.9867
4 4CS 0.9867
5 3HB 0.9789
6 OW7 0.9780
7 PDC 0.9763
8 3NT 0.9760
9 OVV 0.9750
10 RD4 0.9748
11 BRT 0.9743
12 VNL 0.9736
13 WCE 0.9717
14 GAB 0.9717
15 NMJ 0.9713
16 8GC 0.9702
17 PD2 0.9697
18 53C 0.9695
19 3BZ 0.9688
20 3AB 0.9672
21 5HN 0.9655
22 GTQ 0.9655
23 8G0 0.9647
24 6CS 0.9647
25 5RG 0.9636
26 3R6 0.9635
27 6NT 0.9635
28 5M0 0.9627
29 5OB 0.9623
30 54G 0.9609
31 FE DB1 0.9605
32 5XC 0.9595
33 5MK 0.9594
34 II6 0.9590
35 BZ3 0.9590
36 R8S 0.9582
37 F0J 0.9577
38 RM1 0.9573
39 2AL 0.9571
40 2HU 0.9568
41 I3A 0.9566
42 0HN 0.9564
43 F31 0.9563
44 Q6T 0.9552
45 9TZ 0.9549
46 MR1 0.9549
47 3OC 0.9547
48 5NI 0.9544
49 SX1 0.9539
50 0HO 0.9534
51 1F1 0.9525
52 7NI 0.9520
53 2ZM 0.9515
54 6NI 0.9510
55 H42 0.9507
56 DNF 0.9506
57 V55 0.9504
58 M2K 0.9501
59 CHB 0.9500
60 4AV 0.9498
61 ORO 0.9498
62 AKH 0.9496
63 DIE 0.9489
64 7VS 0.9489
65 QSB 0.9488
66 42C 0.9486
67 AW5 0.9486
68 3NY 0.9483
69 OXC 0.9476
70 TSS 0.9475
71 IHB 0.9473
72 ICO 0.9472
73 P9P 0.9460
74 0GZ 0.9460
75 F12 0.9458
76 BHA 0.9458
77 JAW 0.9458
78 FA0 0.9458
79 DOR 0.9455
80 HLZ 0.9454
81 9TW 0.9451
82 HLD 0.9450
83 4HM 0.9450
84 5WY 0.9450
85 F9Y 0.9450
86 8ZE 0.9449
87 MYJ 0.9448
88 J9T 0.9446
89 4NC 0.9446
90 42A 0.9445
91 N2I 0.9445
92 2AQ 0.9443
93 LZM 0.9442
94 34D 0.9439
95 7HQ 0.9439
96 5RN 0.9437
97 4M4 0.9434
98 C2U 0.9433
99 TIU 0.9433
100 KDV 0.9433
101 AL0 0.9432
102 UNC 0.9430
103 3HA 0.9430
104 1P7 0.9424
105 3DO 0.9422
106 2HO 0.9421
107 DA4 0.9421
108 4FS 0.9421
109 BGC 0.9418
110 3A9 0.9416
111 DBH 0.9411
112 7MU 0.9410
113 OTD 0.9408
114 COU 0.9408
115 DHB 0.9407
116 OCH 0.9407
117 8WO 0.9407
118 1P3 0.9403
119 4M0 0.9403
120 D1X 0.9401
121 ES5 0.9401
122 3DM 0.9399
123 ES2 0.9397
124 3F0 0.9396
125 4A3 0.9395
126 4ME 0.9395
127 QBK 0.9395
128 JLZ 0.9394
129 EUG 0.9393
130 HHA 0.9392
131 M1E 0.9392
132 NID 0.9391
133 INO 0.9390
134 FOT 0.9388
135 03V 0.9388
136 DBJ 0.9385
137 E5X 0.9385
138 FHB 0.9383
139 93K 0.9383
140 EA1 0.9383
141 1P8 0.9381
142 GLC 0.9379
143 ABI 0.9377
144 11S 0.9377
145 MEW 0.9374
146 FK1 0.9372
147 SKM 0.9371
148 HA5 0.9371
149 ES9 0.9371
150 K2T 0.9371
151 NNO 0.9369
152 9R5 0.9367
153 VGD 0.9367
154 2F6 0.9367
155 1AL 0.9365
156 BK9 0.9365
157 FBB 0.9365
158 F60 0.9363
159 GYE 0.9361
160 3M0 0.9360
161 36R 0.9360
162 6VD 0.9359
163 H4N 0.9358
164 IJZ 0.9355
165 3HM 0.9355
166 HJP 0.9353
167 0JD 0.9353
168 3Z7 0.9352
169 XAZ 0.9347
170 NFQ 0.9346
171 5B1 0.9344
172 BZX 0.9344
173 ET2 0.9344
174 1NP 0.9343
175 6AI 0.9343
176 5CU 0.9342
177 XX2 0.9341
178 URC 0.9341
179 4TU 0.9339
180 GUN 0.9337
181 YH7 0.9335
182 SRO 0.9334
183 CLW 0.9331
184 XQG 0.9330
185 14O 0.9330
186 HQJ 0.9327
187 5JQ 0.9326
188 XAN 0.9326
189 7WR 0.9324
190 0F9 0.9324
191 S76 0.9324
192 5H1 0.9324
193 AJ2 0.9322
194 14J 0.9320
195 G3F 0.9319
196 VXX 0.9318
197 KBB 0.9316
198 9MG 0.9316
199 9DG 0.9316
200 TYL 0.9315
201 DOB 0.9314
202 5MB 0.9311
203 INE 0.9310
204 ODO 0.9309
205 JBK 0.9308
206 7B4 0.9308
207 FBW 0.9306
208 8S0 0.9306
209 1LQ 0.9305
210 M5K 0.9304
211 UAN 0.9301
212 GDE 0.9300
213 6M9 0.9300
214 JDN 0.9300
215 15N 0.9300
216 4XH 0.9296
217 KJU 0.9296
218 51R 0.9294
219 AZ8 0.9293
220 Q88 0.9291
221 069 0.9290
222 C2Y 0.9289
223 PRZ 0.9286
224 AQO 0.9286
225 DIU 0.9285
226 8NY 0.9285
227 DNC 0.9284
228 XCZ 0.9283
229 QSH 0.9282
230 Q24 0.9281
231 GV9 0.9280
232 HH8 0.9280
233 1SQ 0.9279
234 5XB 0.9278
235 E1T 0.9277
236 2BG 0.9273
237 0LH 0.9272
238 75K 0.9272
239 2HQ 0.9270
240 JA8 0.9270
241 BTY 0.9269
242 MQN 0.9269
243 7ZE 0.9268
244 94W 0.9266
245 0TU 0.9266
246 0W8 0.9264
247 MLT 0.9264
248 4ZC 0.9263
249 DHK 0.9263
250 AHR 0.9263
251 BOA 0.9263
252 FGZ 0.9262
253 4HC 0.9262
254 XYL 0.9261
255 RB5 0.9261
256 5MI 0.9261
257 AZA 0.9260
258 B62 0.9258
259 EYK 0.9257
260 QPR 0.9257
261 CWJ 0.9257
262 N5J 0.9255
263 GCS 0.9253
264 OAA 0.9253
265 SWD 0.9252
266 2K4 0.9251
267 0RW 0.9250
268 XHP 0.9249
269 4JQ 0.9249
270 6KT 0.9249
271 A13 0.9246
272 IGA 0.9245
273 LT2 0.9244
274 5VM 0.9244
275 FQI 0.9244
276 5IQ 0.9243
277 JB8 0.9241
278 QX4 0.9241
279 4WL 0.9241
280 1XM 0.9240
281 BCU 0.9239
282 9FL 0.9239
283 AH8 0.9238
284 PE0 0.9238
285 A2F 0.9238
286 92P 0.9236
287 FYU 0.9235
288 92K 0.9234
289 1DW 0.9233
290 24W 0.9231
291 2FY 0.9230
292 4AA 0.9228
293 6LW 0.9227
294 PQK 0.9227
295 HPA 0.9227
296 JFJ 0.9226
297 9FE 0.9225
298 6AP 0.9224
299 5GU 0.9224
300 ES1 0.9223
301 PAB 0.9223
302 MUA 0.9221
303 4YO 0.9220
304 BDP 0.9218
305 141 0.9218
306 F05 0.9216
307 HIS 0.9214
308 TWO 0.9212
309 BE2 0.9211
310 FUD 0.9210
311 45L 0.9210
312 CTL 0.9209
313 AZG 0.9208
314 DBX 0.9207
315 DRL 0.9207
316 6GU 0.9206
317 GZL 0.9205
318 JPZ 0.9205
319 DYA 0.9204
320 4Z4 0.9203
321 5JL 0.9203
322 8TX 0.9202
323 HMH 0.9202
324 2ZQ 0.9200
325 M1H 0.9200
326 4JT 0.9200
327 4YS 0.9200
328 DIN 0.9198
329 EOL 0.9197
330 MS9 0.9196
331 5Q0 0.9196
332 5QY 0.9195
333 SVN 0.9194
334 4MA 0.9194
335 XQ0 0.9193
336 PHB 0.9193
337 ONR 0.9192
338 3IT 0.9192
339 9CA 0.9192
340 SHA 0.9191
341 5NU 0.9191
342 OTW 0.9191
343 BHO 0.9191
344 3ID 0.9190
345 44W 0.9189
346 ADE 0.9188
347 SAL 0.9187
348 C2A 0.9186
349 86J 0.9184
350 CWM 0.9184
351 ES0 0.9183
352 DQU 0.9182
353 ISZ 0.9182
354 NPO 0.9182
355 PEY 0.9181
356 5SG 0.9180
357 DMD 0.9179
358 N8Y 0.9178
359 NGT 0.9178
360 NIZ 0.9178
361 6MP 0.9177
362 0CU 0.9177
363 12M 0.9176
364 G3E 0.9176
365 2DR 0.9175
366 OGA 0.9175
367 XIY 0.9175
368 B55 0.9174
369 KYA 0.9174
370 173 0.9172
371 L5V 0.9169
372 495 0.9168
373 SJ5 0.9167
374 CWS 0.9167
375 8XL 0.9167
376 174 0.9167
377 GAL 0.9165
378 4P5 0.9165
379 9EW 0.9164
380 8H8 0.9164
381 DX4 0.9163
382 HQY 0.9162
383 6M4 0.9161
384 TSR 0.9160
385 4FH 0.9159
386 NOJ 0.9159
387 HBD 0.9159
388 TTL 0.9158
389 SKA 0.9157
390 KUF 0.9156
391 CH9 0.9156
392 TT4 0.9155
393 Z82 0.9154
394 2LY 0.9153
395 KT7 0.9153
396 A7W 0.9153
397 6ME 0.9153
398 ES4 0.9153
399 ZXD 0.9151
400 ADZ 0.9151
401 ES6 0.9150
402 0FO 0.9150
403 J5I 0.9150
404 LGC 0.9149
405 HMU 0.9148
406 BCP 0.9148
407 2A7 0.9145
408 OMD 0.9145
409 6R8 0.9144
410 XRG 0.9143
411 QWN 0.9142
412 TH7 0.9142
413 5WX 0.9141
414 NVU 0.9140
415 1IT 0.9140
416 MAJ 0.9140
417 XX3 0.9139
418 FRU 0.9139
419 JBH 0.9139
420 D48 0.9139
421 Z5P 0.9138
422 LMR 0.9137
423 IAC 0.9136
424 ASC 0.9135
425 9DA 0.9134
426 10L 0.9133
427 KBG 0.9132
428 BEN 0.9132
429 A29 0.9128
430 BEZ 0.9128
431 W81 0.9128
432 IFM 0.9127
433 3U4 0.9126
434 AKG 0.9126
435 MRW 0.9125
436 52C 0.9124
437 D07 0.9123
438 5WV 0.9123
439 4SV 0.9122
440 BP1 0.9121
441 KOJ 0.9119
442 1Y6 0.9119
443 3PF 0.9118
444 7W1 0.9118
445 XBT 0.9117
446 MJ2 0.9116
447 E7Z 0.9115
448 GIF 0.9113
449 PKU 0.9112
450 3MG 0.9111
451 SVD 0.9110
452 6TZ 0.9110
453 P72 0.9110
454 PM6 0.9109
455 7HP 0.9109
456 7W4 0.9109
457 1M2 0.9109
458 0P6 0.9108
459 1XN 0.9107
460 IV2 0.9107
461 MVN 0.9106
462 PZI 0.9105
463 HX3 0.9105
464 290 0.9105
465 QXW 0.9104
466 MT0 0.9103
467 3FH 0.9103
468 GOJ 0.9102
469 826 0.9102
470 329 0.9101
471 4A5 0.9101
472 9ZE 0.9100
473 ZZT 0.9099
474 6PC 0.9099
475 7WA 0.9099
476 CFP 0.9098
477 PBZ 0.9098
478 23A 0.9097
479 12Q 0.9096
480 AHN 0.9095
481 2AK 0.9095
482 DHR 0.9095
483 6OT 0.9094
484 M1A 0.9093
485 HQT 0.9092
486 XEN 0.9091
487 GNL 0.9090
488 NCD 0.9090
489 AEH 0.9090
490 HQD 0.9090
491 NCA 0.9090
492 YSO 0.9090
493 SE2 0.9088
494 67N 0.9088
495 FBU 0.9087
496 DHQ 0.9087
497 GTR 0.9085
498 SOR 0.9084
499 9HX 0.9084
500 PBC 0.9084
501 H7Y 0.9083
502 SLS 0.9083
503 3XX 0.9083
504 X0V 0.9081
505 CFI 0.9081
506 ALL 0.9080
507 2EC 0.9079
508 15E 0.9079
509 HC4 0.9079
510 2D0 0.9078
511 TGX 0.9078
512 ZZ3 0.9076
513 8XQ 0.9076
514 0N7 0.9075
515 ISN 0.9075
516 MB1 0.9074
517 AGK 0.9074
518 1LM 0.9073
519 APZ 0.9072
520 L3Q 0.9071
521 M0Q 0.9071
522 2HG 0.9071
523 NSP 0.9068
524 AZM 0.9067
525 44V 0.9066
526 KKN 0.9064
527 G4D 0.9062
528 3Z8 0.9061
529 4SX 0.9061
530 B60 0.9061
531 BZ2 0.9061
532 1X7 0.9060
533 UFV 0.9060
534 463 0.9059
535 SYA 0.9058
536 XUL 0.9057
537 4XV 0.9057
538 JKE 0.9057
539 ES7 0.9055
540 JND 0.9054
541 BAM 0.9053
542 G5V 0.9051
543 GLN 0.9050
544 NDH 0.9049
545 LNR 0.9047
546 4MU 0.9047
547 AEF 0.9047
548 NGO 0.9044
549 OXZ 0.9044
550 AZ9 0.9042
551 EKZ 0.9041
552 4XR 0.9039
553 AC6 0.9039
554 G2F 0.9036
555 IPB 0.9034
556 HA7 0.9034
557 M4E 0.9034
558 LKA 0.9031
559 IFL 0.9030
560 3AL 0.9030
561 NIO 0.9030
562 GOX 0.9029
563 MXN 0.9029
564 MO8 0.9029
565 KIB 0.9029
566 LDP 0.9028
567 TRC 0.9027
568 JB5 0.9027
569 HZQ 0.9027
570 PXL 0.9027
571 HH5 0.9026
572 4ZA 0.9026
573 VGL 0.9025
574 MZW 0.9025
575 261 0.9024
576 R20 0.9024
577 ABV 0.9023
578 AJV 0.9020
579 PZA 0.9019
580 0FK 0.9018
581 24B 0.9018
582 8CM 0.9017
583 SHG 0.9017
584 J9Q 0.9016
585 FBM 0.9016
586 UNU 0.9015
587 717 0.9015
588 ZZ8 0.9014
589 A7H 0.9014
590 SS1 0.9014
591 8WT 0.9014
592 30G 0.9014
593 47J 0.9012
594 NTN 0.9009
595 4XS 0.9008
596 BTE 0.9008
597 YCP 0.9008
598 XLS 0.9007
599 HQ9 0.9007
600 5QX 0.9007
601 8IG 0.9007
602 S2G 0.9007
603 IFP 0.9006
604 FP1 0.9006
605 NQ 0.9006
606 MHK 0.9005
607 RNT 0.9005
608 8OZ 0.9004
609 MNP 0.9002
610 K5W 0.9002
611 7ME 0.9001
612 2A9 0.9001
613 BMA 0.9000
614 CN0 0.9000
615 ZWZ 0.8999
616 NBZ 0.8999
617 EV0 0.8998
618 PCA 0.8997
619 SYV 0.8997
620 M5N 0.8995
621 PFL 0.8995
622 AS3 0.8994
623 RXA 0.8994
624 7UC 0.8992
625 X09 0.8991
626 AC0 0.8991
627 6RQ 0.8991
628 3BU 0.8990
629 HNQ 0.8989
630 61M 0.8987
631 MAQ 0.8985
632 8HC 0.8985
633 VK3 0.8985
634 MBG 0.8984
635 PEZ 0.8984
636 7MX 0.8984
637 5RO 0.8984
638 MWP 0.8983
639 GXY 0.8983
640 NOY 0.8982
641 RNS 0.8982
642 5VL 0.8981
643 FDB 0.8978
644 TTY 0.8977
645 7WV 0.8977
646 ASO 0.8976
647 SF6 0.8975
648 4SD 0.8975
649 EDR 0.8974
650 DIG 0.8972
651 2FG 0.8972
652 VOH 0.8969
653 M6N 0.8968
654 2HC 0.8967
655 KDG 0.8965
656 WOO 0.8964
657 PQ0 0.8964
658 XYP 0.8964
659 GCB 0.8959
660 X05 0.8959
661 2O6 0.8959
662 AX7 0.8958
663 4I8 0.8958
664 CIT 0.8957
665 M5H 0.8957
666 EVA 0.8955
667 F9P 0.8955
668 1DV 0.8955
669 6BL 0.8954
670 ZBT 0.8954
671 15L 0.8952
672 L99 0.8952
673 25W 0.8952
674 3HG 0.8951
675 GLT 0.8951
676 5NE 0.8951
677 HSO 0.8950
678 AIN 0.8950
679 PJW 0.8949
680 K3Q 0.8946
681 P3K 0.8945
682 QIC 0.8943
683 KTA 0.8942
684 X8D 0.8942
685 LYL 0.8941
686 I6G 0.8941
687 RSF 0.8941
688 149 0.8940
689 M0W 0.8940
690 CTS 0.8939
691 8GK 0.8939
692 3HP 0.8939
693 7WG 0.8939
694 JXW 0.8938
695 AY4 0.8937
696 RIB 0.8936
697 GLY GLY 0.8936
698 DFB 0.8936
699 PHU 0.8934
700 GCU 0.8933
701 PRF 0.8933
702 OTR 0.8932
703 G6D 0.8930
704 MZM 0.8929
705 8K2 0.8928
706 SF9 0.8926
707 JKZ 0.8920
708 EWG 0.8920
709 2SX 0.8918
710 DEW 0.8918
711 PH2 0.8918
712 FIX 0.8915
713 28N 0.8914
714 KDF 0.8914
715 1WD 0.8914
716 CRS 0.8913
717 B53 0.8913
718 1QP 0.8910
719 RBL 0.8909
720 PYQ 0.8909
721 YIO 0.8908
722 QSC 0.8908
723 M2H 0.8908
724 LSA 0.8908
725 VM1 0.8908
726 DE5 0.8907
727 GJP 0.8907
728 PIY 0.8907
729 IOS 0.8906
730 AJY 0.8904
731 32X 0.8904
732 SW7 0.8903
733 ADA 0.8902
734 42J 0.8902
735 HT4 0.8902
736 IWT 0.8902
737 VNJ 0.8901
738 XM0 0.8901
739 23J 0.8897
740 2LP 0.8896
741 DTL 0.8896
742 BEA 0.8894
743 RCO 0.8894
744 GLY PRO 0.8893
745 2FQ 0.8893
746 GLU 0.8892
747 PEP 0.8892
748 FLC 0.8891
749 82I 0.8890
750 TH0 0.8890
751 ZYR 0.8889
752 CKU 0.8888
753 ESI 0.8888
754 NCT 0.8888
755 PBA 0.8888
756 TM7 0.8887
757 B2J 0.8886
758 NTZ 0.8886
759 152 0.8885
760 KMH 0.8885
761 FB1 0.8885
762 1HN 0.8885
763 FAN 0.8884
764 ICT 0.8880
765 37T 0.8880
766 M6Z 0.8879
767 8VN 0.8878
768 284 0.8878
769 4KL 0.8877
770 N8P 0.8877
771 BE7 0.8876
772 F81 0.8876
773 270 0.8875
774 CKA 0.8875
775 9RW 0.8873
776 PHT 0.8873
777 KJH 0.8872
778 NLA 0.8872
779 4NM 0.8871
780 TAG 0.8870
781 DII 0.8870
782 QUZ 0.8870
783 EQT 0.8870
784 ORN 0.8869
785 1GN 0.8869
786 PIM 0.8869
787 SRT 0.8868
788 8W9 0.8867
789 DHS 0.8866
790 KIA 0.8865
791 LDR 0.8865
792 SD4 0.8865
793 2TQ 0.8864
794 5JC 0.8864
795 FBV 0.8862
796 H76 0.8861
797 R8V 0.8860
798 4H2 0.8860
799 3CH 0.8859
800 REL 0.8858
801 091 0.8858
802 CSN 0.8857
803 TPA 0.8856
804 6FZ 0.8856
805 2EH 0.8855
806 LEL 0.8854
807 JZ3 0.8853
808 QWW 0.8853
809 2H5 0.8852
810 3SL 0.8852
811 SR1 0.8851
812 ZB1 0.8849
813 9AP 0.8849
814 PAC 0.8849
815 C9E 0.8848
816 NPY 0.8848
817 7I2 0.8844
818 GIV 0.8844
819 LG5 0.8844
820 2YU 0.8843
821 DGJ 0.8841
822 URA 0.8841
823 IPZ 0.8840
824 M3T 0.8839
825 SMN 0.8838
826 GTL 0.8838
827 GLO 0.8838
828 KJY 0.8838
829 7B3 0.8835
830 KYD 0.8834
831 R1P 0.8833
832 GIO 0.8833
833 IT2 0.8833
834 OHG 0.8833
835 4P0 0.8832
836 ADK 0.8832
837 2MI 0.8831
838 RMN 0.8830
839 SOE 0.8830
840 0R0 0.8829
841 LG3 0.8829
842 HJ7 0.8827
843 QAS 0.8825
844 TOF 0.8825
845 NLE 0.8824
846 5F5 0.8823
847 ASP 0.8820
848 B3R 0.8820
849 CLZ 0.8820
850 MCT 0.8820
851 FA1 0.8818
852 6DP 0.8818
853 BVF 0.8817
854 URF 0.8817
855 MWM 0.8816
856 TC7 0.8816
857 OKG 0.8816
858 GLA 0.8815
859 M44 0.8815
860 0W1 0.8815
861 XBZ 0.8815
862 Q02 0.8815
863 0GY 0.8814
864 4VY 0.8814
865 4ZE 0.8814
866 4NG 0.8811
867 7MW 0.8808
868 B5D 0.8808
869 SWA 0.8807
870 DRG 0.8807
871 1PT 0.8807
872 P92 0.8805
873 FBG 0.8804
874 HEW 0.8804
875 TLA 0.8803
876 6M1 0.8803
877 F4Z 0.8803
878 MZB 0.8802
879 5ZE 0.8802
880 IF7 0.8800
881 SR4 0.8800
882 BSX 0.8799
883 FLV 0.8799
884 7MH 0.8798
885 226 0.8797
886 MQB 0.8796
887 RSO 0.8796
888 13X 0.8796
889 TEP 0.8795
890 X1R 0.8794
891 NTM 0.8794
892 3WA 0.8794
893 M45 0.8793
894 67X 0.8792
895 TAR 0.8791
896 2CK 0.8791
897 DMJ 0.8790
898 60P 0.8790
899 2CQ 0.8789
900 12B 0.8788
901 GAG 0.8786
902 CYT 0.8786
903 B57 0.8785
904 M1Z 0.8783
905 AOR 0.8782
906 39A 0.8781
907 TEO 0.8779
908 1A7 0.8778
909 LPK 0.8777
910 HGQ 0.8777
911 4JM 0.8777
912 UEG 0.8776
913 Q71 0.8776
914 CIG 0.8776
915 MNM 0.8775
916 AX3 0.8775
917 BPU 0.8774
918 CXF 0.8774
919 OXQ 0.8774
920 NAG 0.8774
921 M58 0.8773
922 9KT 0.8771
923 1WG 0.8770
924 GBD 0.8769
925 JBQ 0.8768
926 26D 0.8768
927 2UZ 0.8767
928 XXG 0.8767
929 P4B 0.8765
930 275 0.8765
931 PEQ 0.8764
932 FA3 0.8764
933 PEA 0.8764
934 1SA 0.8763
935 E35 0.8762
936 BR8 0.8762
937 7N0 0.8761
938 4VS 0.8761
939 Q7A 0.8761
940 XYD 0.8761
941 QX2 0.8761
942 I1E 0.8760
943 ARP 0.8759
944 2PG 0.8758
945 XSP 0.8758
946 Y8I 0.8758
947 NK 0.8758
948 KFH 0.8758
949 RJY 0.8758
950 APS 0.8758
951 YPN 0.8756
952 5NS 0.8756
953 2AC 0.8756
954 AMC 0.8755
955 MET 0.8755
956 HDH 0.8753
957 CFF 0.8753
958 GZ8 0.8752
959 8GF 0.8752
960 K34 0.8752
961 39O 0.8751
962 T6C 0.8750
963 JR2 0.8748
964 ERH 0.8747
965 XDE 0.8745
966 RAM 0.8745
967 AX2 0.8744
968 GAF 0.8741
969 3SK 0.8741
970 HHR 0.8739
971 SXS 0.8738
972 R9Y 0.8737
973 GRE 0.8737
974 HHH 0.8736
975 5AN 0.8736
976 41K 0.8734
977 SIF 0.8733
978 JUG 0.8733
979 DHY 0.8732
980 HIO 0.8732
981 GJS 0.8731
982 X6X 0.8730
983 FB2 0.8728
984 XXP 0.8728
985 9SE 0.8726
986 34A 0.8725
987 GM7 0.8722
988 9KH 0.8721
989 GXL 0.8721
990 X0W 0.8721
991 XQK 0.8720
992 DGN 0.8719
993 4CL 0.8719
994 JG8 0.8718
995 MWJ 0.8717
996 M3H 0.8716
997 1KP 0.8715
998 6UA 0.8715
999 DNA 0.8714
1000 AZF 0.8713
1001 O72 0.8713
1002 QMS 0.8712
1003 IND 0.8711
1004 AMG 0.8710
1005 NPA 0.8710
1006 4V2 0.8710
1007 MAN 0.8709
1008 1U6 0.8709
1009 2D3 0.8707
1010 150 0.8707
1011 2MP 0.8706
1012 PXM 0.8705
1013 DGL 0.8704
1014 CFA 0.8704
1015 A1U 0.8703
1016 FUL 0.8703
1017 IDM 0.8701
1018 AG2 0.8700
1019 R2P 0.8700
1020 G3P 0.8699
1021 BZI 0.8699
1022 GCO 0.8698
1023 OHP 0.8698
1024 TLD 0.8698
1025 R67 0.8697
1026 KTW 0.8697
1027 JZ9 0.8696
1028 39U 0.8696
1029 PYD 0.8696
1030 FDK 0.8695
1031 DEE 0.8695
1032 LZ2 0.8694
1033 4HO 0.8694
1034 QMP 0.8693
1035 2KA 0.8693
1036 FBJ 0.8693
1037 OK7 0.8693
1038 PSV 0.8692
1039 3MA 0.8692
1040 N3W 0.8691
1041 6XI 0.8691
1042 2ZX 0.8691
1043 ICP 0.8691
1044 TFU 0.8691
1045 YQA 0.8688
1046 JF2 0.8686
1047 L22 0.8685
1048 1GP 0.8684
1049 ACA 0.8684
1050 CXH 0.8683
1051 G1O 0.8681
1052 FH2 0.8678
1053 TBP 0.8677
1054 JXN 0.8676
1055 4JJ 0.8676
1056 286 0.8675
1057 6F0 0.8675
1058 9UL 0.8675
1059 NLQ 0.8673
1060 LDU 0.8672
1061 43M 0.8672
1062 45C 0.8669
1063 DEN 0.8667
1064 HXX 0.8666
1065 UFO 0.8663
1066 7VJ 0.8662
1067 13P 0.8661
1068 JBE 0.8660
1069 BR9 0.8659
1070 NDM 0.8658
1071 GZ3 0.8657
1072 6MH 0.8655
1073 DPZ 0.8654
1074 PMB 0.8654
1075 3AY 0.8653
1076 BQ2 0.8652
1077 HHQ 0.8651
1078 D3G 0.8651
1079 GGL 0.8650
1080 SYR 0.8649
1081 0CT 0.8648
1082 JIF 0.8644
1083 HBX 0.8644
1084 OA3 0.8643
1085 3R9 0.8642
1086 TCZ 0.8636
1087 PHE 0.8636
1088 K17 0.8633
1089 LI6 0.8631
1090 PYF 0.8631
1091 PHH 0.8630
1092 27Y 0.8629
1093 DUB 0.8629
1094 JU2 0.8628
1095 PX7 0.8625
1096 IDH 0.8623
1097 H4E 0.8621
1098 23W 0.8620
1099 HLR 0.8619
1100 PG0 0.8617
1101 URQ 0.8617
1102 JZ2 0.8617
1103 BZF 0.8616
1104 N7P 0.8615
1105 LEU 0.8614
1106 QAT 0.8610
1107 SN4 0.8610
1108 LRH 0.8599
1109 JZ4 0.8598
1110 SYN 0.8598
1111 97T 0.8597
1112 KLW 0.8594
1113 3PG 0.8593
1114 ABN 0.8591
1115 XYS 0.8589
1116 8VE 0.8586
1117 IQ5 0.8583
1118 N7I 0.8582
1119 NQM 0.8581
1120 HSE 0.8581
1121 PRY 0.8580
1122 7CT 0.8574
1123 SHV 0.8572
1124 JF1 0.8571
1125 EXD 0.8565
1126 RIP 0.8554
1127 GZ2 0.8511
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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