Receptor
PDB id Resolution Class Description Source Keywords
1L4F 2.1 Å EC: 2.4.2.21 THE CRYSTAL STRUCTURE OF COBT COMPLEXED WITH 4,5-DIMETHYL-1, PHENYLENEDIAMINE AND NICOTINATE MONONUCLEOTIDE SALMONELLA ENTERICA COBT COBALAMIN SYNTHETIC ENZYME PHOSPHORIBOSYLTRANSFERASEDIMETHYLBENZIMIDAZOLE NICOTINATE MONONUCLEOTIDE TRANSFERA
Ref.: CAPTURE OF A LABILE SUBSTRATE BY EXPULSION OF WATER MOLECULES FROM THE ACTIVE SITE OF NICOTINATE MONONUCLEOTIDE:5,6-DIMETHYLBENZIMIDAZOLE PHOSPHORIBOSYLTRANSFERASE (COBT) FROM SALMONELLA EN J.BIOL.CHEM. V. 277 41120 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
150 A:990;
 Valid;
 none;
 submit data
136.194 C8 H12 N2 Cc1cc...
NCN A:991;
 Valid;
 none;
 submit data
335.204 C11 H14 N O9 P c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KQI 1.4 Å EC: 2.4.2.21 CRYSTAL STRUCTURE OF COBT E317A COMPLEXED WITH ITS REACTION SALMONELLA ENTERICA SUBSP. ENTERICA SETYPHIMURIUM TRANSFERASE
Ref.: DISSECTING COBAMIDE DIVERSITY THROUGH STRUCTURAL AN FUNCTIONAL ANALYSES OF THE BASE-ACTIVATING COBT ENZ SALMONELLA ENTERICA. BIOCHIM.BIOPHYS.ACTA V.1840 464 2014
Members (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1L4G - NCN C11 H14 N O9 P c1cc(c[n+]....
2 1D0S - DMD C9 H10 N2 Cc1cc2c(cc....
3 1L4K - NCN C11 H14 N O9 P c1cc(c[n+]....
4 4KQF - ADE C5 H5 N5 c1[nH]c2c(....
5 4KQJ - PCR C7 H8 O Cc1ccc(cc1....
6 1L4F - NCN C11 H14 N O9 P c1cc(c[n+]....
7 1JHV - PCR C7 H8 O Cc1ccc(cc1....
8 4KQG - DMD C9 H10 N2 Cc1cc2c(cc....
9 1L4N - NIO C6 H5 N O2 c1cc(cnc1)....
10 1JHM - 5MB C8 H8 N2 Cc1ccc2c(c....
11 1JHU - PCR C7 H8 O Cc1ccc(cc1....
12 1JH8 - ADE C5 H5 N5 c1[nH]c2c(....
13 1L4M - NCN C11 H14 N O9 P c1cc(c[n+]....
14 1L5L - NIO C6 H5 N O2 c1cc(cnc1)....
15 1L4L - XYD C8 H11 N Cc1ccc(c(c....
16 1JHQ - PMO C13 H17 N2 O8 P COc1ccc2c(....
17 1L5K - NIO C6 H5 N O2 c1cc(cnc1)....
18 1JHP - 5OB C8 H8 N2 O COc1ccc2c(....
19 1JHY - NIO C6 H5 N O2 c1cc(cnc1)....
20 1L5M - NIO C6 H5 N O2 c1cc(cnc1)....
21 1JHA - NIO C6 H5 N O2 c1cc(cnc1)....
22 1JHX - IPH C6 H6 O c1ccc(cc1)....
23 1JHO - RMB C13 H17 N2 O7 P Cc1ccc2c(c....
24 1JHR - P2P C10 H13 N4 O8 P c1c2c(ncn2....
25 1L4E - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
26 4KQK - PCR C7 H8 O Cc1ccc(cc1....
27 1D0V - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
28 1L5O - NCN C11 H14 N O9 P c1cc(c[n+]....
29 1L5F - BZI C7 H6 N2 c1ccc2c(c1....
30 1L4H - NCN C11 H14 N O9 P c1cc(c[n+]....
31 4KQI - NIO C6 H5 N O2 c1cc(cnc1)....
70% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1L4G - NCN C11 H14 N O9 P c1cc(c[n+]....
2 1D0S - DMD C9 H10 N2 Cc1cc2c(cc....
3 1L4K - NCN C11 H14 N O9 P c1cc(c[n+]....
4 4KQF - ADE C5 H5 N5 c1[nH]c2c(....
5 4KQJ - PCR C7 H8 O Cc1ccc(cc1....
6 1L4F - NCN C11 H14 N O9 P c1cc(c[n+]....
7 1JHV - PCR C7 H8 O Cc1ccc(cc1....
8 4KQG - DMD C9 H10 N2 Cc1cc2c(cc....
9 1L4N - NIO C6 H5 N O2 c1cc(cnc1)....
10 1JHM - 5MB C8 H8 N2 Cc1ccc2c(c....
11 1JHU - PCR C7 H8 O Cc1ccc(cc1....
12 1JH8 - ADE C5 H5 N5 c1[nH]c2c(....
13 1L4M - NCN C11 H14 N O9 P c1cc(c[n+]....
14 1L5L - NIO C6 H5 N O2 c1cc(cnc1)....
15 1L4L - XYD C8 H11 N Cc1ccc(c(c....
16 1JHQ - PMO C13 H17 N2 O8 P COc1ccc2c(....
17 1L5K - NIO C6 H5 N O2 c1cc(cnc1)....
18 1JHP - 5OB C8 H8 N2 O COc1ccc2c(....
19 1JHY - NIO C6 H5 N O2 c1cc(cnc1)....
20 1L5M - NIO C6 H5 N O2 c1cc(cnc1)....
21 1JHA - NIO C6 H5 N O2 c1cc(cnc1)....
22 1JHX - IPH C6 H6 O c1ccc(cc1)....
23 1JHO - RMB C13 H17 N2 O7 P Cc1ccc2c(c....
24 1JHR - P2P C10 H13 N4 O8 P c1c2c(ncn2....
25 1L4E - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
26 4KQK - PCR C7 H8 O Cc1ccc(cc1....
27 1D0V - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
28 1L5O - NCN C11 H14 N O9 P c1cc(c[n+]....
29 1L5F - BZI C7 H6 N2 c1ccc2c(c1....
30 1L4H - NCN C11 H14 N O9 P c1cc(c[n+]....
31 4KQI - NIO C6 H5 N O2 c1cc(cnc1)....
50% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1L4G - NCN C11 H14 N O9 P c1cc(c[n+]....
2 1D0S - DMD C9 H10 N2 Cc1cc2c(cc....
3 1L4K - NCN C11 H14 N O9 P c1cc(c[n+]....
4 4KQF - ADE C5 H5 N5 c1[nH]c2c(....
5 4KQJ - PCR C7 H8 O Cc1ccc(cc1....
6 1L4F - NCN C11 H14 N O9 P c1cc(c[n+]....
7 1JHV - PCR C7 H8 O Cc1ccc(cc1....
8 4KQG - DMD C9 H10 N2 Cc1cc2c(cc....
9 1L4N - NIO C6 H5 N O2 c1cc(cnc1)....
10 1JHM - 5MB C8 H8 N2 Cc1ccc2c(c....
11 1JHU - PCR C7 H8 O Cc1ccc(cc1....
12 1JH8 - ADE C5 H5 N5 c1[nH]c2c(....
13 1L4M - NCN C11 H14 N O9 P c1cc(c[n+]....
14 1L5L - NIO C6 H5 N O2 c1cc(cnc1)....
15 1L4L - XYD C8 H11 N Cc1ccc(c(c....
16 1JHQ - PMO C13 H17 N2 O8 P COc1ccc2c(....
17 1L5K - NIO C6 H5 N O2 c1cc(cnc1)....
18 1JHP - 5OB C8 H8 N2 O COc1ccc2c(....
19 1JHY - NIO C6 H5 N O2 c1cc(cnc1)....
20 1L5M - NIO C6 H5 N O2 c1cc(cnc1)....
21 1JHA - NIO C6 H5 N O2 c1cc(cnc1)....
22 1JHX - IPH C6 H6 O c1ccc(cc1)....
23 1JHO - RMB C13 H17 N2 O7 P Cc1ccc2c(c....
24 1JHR - P2P C10 H13 N4 O8 P c1c2c(ncn2....
25 1L4E - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
26 4KQK - PCR C7 H8 O Cc1ccc(cc1....
27 1D0V - RBZ C14 H19 N2 O7 P Cc1cc2c(cc....
28 1L5O - NCN C11 H14 N O9 P c1cc(c[n+]....
29 1L5F - BZI C7 H6 N2 c1ccc2c(c1....
30 1L4H - NCN C11 H14 N O9 P c1cc(c[n+]....
31 4KQI - NIO C6 H5 N O2 c1cc(cnc1)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 150; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 150 1 1
2 2CQ 0.5 0.791667
Ligand no: 2; Ligand: NCN; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 NCN 1 1
2 NMN 0.647887 0.892308
3 DND 0.53 0.808219
4 NNR 0.492958 0.742424
5 8ID 0.462264 0.74359
6 A7R 0.45098 0.794521
7 NAD IBO 0.435185 0.791667
8 NAD TDB 0.435185 0.791667
9 NAJ 0.432432 0.780822
10 NAD 0.424779 0.805556
11 NHD 0.424779 0.805556
12 NFD 0.417391 0.763158
13 A3D 0.417391 0.794521
14 NGD 0.414414 0.74359
15 NBP 0.413223 0.74359
16 AMP NAD 0.412281 0.805556
17 N01 0.401709 0.780822
18 NDO 0.4 0.794521
Similar Ligands (3D)
Ligand no: 1; Ligand: 150; Similar ligands found: 944
No: Ligand Similarity coefficient
1 1WG 0.9996
2 TC7 0.9952
3 F4Z 0.9945
4 45C 0.9939
5 25W 0.9849
6 G6D 0.9830
7 MWM 0.9698
8 43M 0.9686
9 MCT 0.9680
10 F05 0.9675
11 4ZE 0.9657
12 F5B 0.9655
13 2MP 0.9650
14 PYD 0.9645
15 ICP 0.9645
16 WBU 0.9644
17 275 0.9643
18 34A 0.9642
19 XBZ 0.9637
20 2AC 0.9633
21 1MC 0.9631
22 TH0 0.9628
23 5MH 0.9627
24 XYD 0.9626
25 TM7 0.9624
26 TDR 0.9623
27 HT4 0.9621
28 4HO 0.9621
29 2YU 0.9618
30 URF 0.9618
31 A1U 0.9618
32 JZ2 0.9615
33 0RW 0.9612
34 MZG 0.9612
35 XXR 0.9610
36 0TR 0.9608
37 9EW 0.9607
38 HLR 0.9604
39 5JC 0.9600
40 7CZ 0.9593
41 4JO 0.9589
42 3ZQ 0.9589
43 4CL 0.9587
44 1PT 0.9585
45 4JJ 0.9582
46 QOS 0.9582
47 5UC 0.9580
48 SVN 0.9574
49 MWJ 0.9567
50 BR9 0.9558
51 BGC 0.9558
52 GLC 0.9554
53 RAM 0.9553
54 6M9 0.9553
55 27Y 0.9551
56 TLD 0.9551
57 ADZ 0.9546
58 EXO 0.9542
59 G3F 0.9540
60 QUZ 0.9532
61 AHR 0.9530
62 ISN 0.9528
63 NPY 0.9520
64 YCP 0.9515
65 RSF 0.9512
66 DMD 0.9508
67 DEN 0.9506
68 QWN 0.9503
69 Y8I 0.9500
70 IUR 0.9498
71 HMH 0.9498
72 BEZ 0.9496
73 XYP 0.9496
74 7W4 0.9495
75 NBZ 0.9493
76 BEN 0.9491
77 6PC 0.9488
78 KKN 0.9483
79 0CT 0.9481
80 ES7 0.9481
81 1DW 0.9481
82 6M4 0.9481
83 3Z7 0.9478
84 7B4 0.9470
85 GVH 0.9464
86 BZF 0.9464
87 IND 0.9463
88 3ID 0.9460
89 BAM 0.9460
90 5CL 0.9457
91 4JP 0.9457
92 1P7 0.9453
93 MPI 0.9450
94 4ZC 0.9449
95 ISE 0.9448
96 BZI 0.9447
97 5WV 0.9445
98 BZX 0.9443
99 0R1 0.9441
100 TH7 0.9440
101 SAL 0.9436
102 OXE 0.9436
103 LXC 0.9435
104 3DO 0.9433
105 8S0 0.9429
106 NCA 0.9429
107 5B1 0.9426
108 NK 0.9424
109 CAQ 0.9424
110 JPZ 0.9423
111 40O 0.9420
112 BTE 0.9418
113 LZ1 0.9416
114 JAE 0.9416
115 IDH 0.9416
116 5Q0 0.9414
117 1NP 0.9412
118 6AI 0.9412
119 1SQ 0.9409
120 4XR 0.9407
121 1LQ 0.9406
122 ES1 0.9405
123 O72 0.9405
124 JBE 0.9404
125 4YS 0.9401
126 5SG 0.9400
127 JBH 0.9400
128 GAL 0.9399
129 24W 0.9397
130 N5J 0.9396
131 5IQ 0.9395
132 HQY 0.9395
133 BHO 0.9395
134 ADE 0.9393
135 3U4 0.9393
136 QXW 0.9392
137 32X 0.9391
138 ZZT 0.9391
139 IT2 0.9391
140 GXY 0.9389
141 XQ0 0.9389
142 IDM 0.9389
143 5MB 0.9388
144 5H1 0.9387
145 1LM 0.9386
146 HPA 0.9382
147 14O 0.9382
148 FUL 0.9382
149 GYE 0.9381
150 GBD 0.9380
151 2CK 0.9380
152 F60 0.9378
153 8GC 0.9374
154 3PF 0.9373
155 FYU 0.9372
156 ES9 0.9372
157 6MP 0.9371
158 BE2 0.9371
159 FE DB1 0.9370
160 DBH 0.9368
161 24B 0.9368
162 8H8 0.9367
163 INS 0.9363
164 5MI 0.9363
165 3HA 0.9362
166 3F0 0.9360
167 KJY 0.9359
168 9DA 0.9358
169 3M0 0.9356
170 NIO 0.9355
171 9HX 0.9353
172 1AN 0.9349
173 G3E 0.9349
174 BEW 0.9348
175 UNU 0.9348
176 JBK 0.9344
177 NSP 0.9344
178 4SV 0.9343
179 SS1 0.9342
180 ALL 0.9341
181 H4N 0.9340
182 11S 0.9340
183 FPY 0.9340
184 PZA 0.9338
185 2CH 0.9335
186 8LG 0.9331
187 2K4 0.9330
188 ES6 0.9329
189 1XN 0.9329
190 VGL 0.9327
191 PBC 0.9327
192 L89 0.9326
193 B53 0.9325
194 7HP 0.9325
195 JZ0 0.9324
196 2AF 0.9322
197 ABE 0.9320
198 BP1 0.9319
199 FK1 0.9317
200 7WA 0.9315
201 2AQ 0.9315
202 FP2 0.9314
203 ES4 0.9307
204 93Q 0.9304
205 JB5 0.9304
206 COU 0.9303
207 10L 0.9301
208 4XH 0.9301
209 HTS 0.9299
210 OXQ 0.9298
211 CRS 0.9298
212 HH8 0.9297
213 NTN 0.9296
214 03V 0.9295
215 76X 0.9294
216 92Z 0.9294
217 RCO 0.9292
218 BE7 0.9290
219 I1N 0.9290
220 QSC 0.9286
221 PM6 0.9286
222 DQN 0.9286
223 SWD 0.9282
224 3NT 0.9279
225 OCH 0.9279
226 FUC 0.9279
227 86J 0.9276
228 YAN 0.9276
229 5QY 0.9275
230 DFU 0.9275
231 938 0.9275
232 J1Z 0.9275
233 ES5 0.9275
234 4FS 0.9274
235 DHQ 0.9274
236 3CH 0.9272
237 0MK 0.9272
238 RIP 0.9272
239 I3A 0.9271
240 T6C 0.9271
241 GAB 0.9269
242 LT2 0.9269
243 1WD 0.9265
244 EQT 0.9265
245 HMU 0.9265
246 GAG 0.9265
247 CYT 0.9262
248 M1A 0.9261
249 TP5 0.9261
250 9MG 0.9260
251 JZ9 0.9260
252 JZ3 0.9260
253 5RG 0.9259
254 SE2 0.9258
255 4CS 0.9257
256 M58 0.9255
257 OVV 0.9255
258 5HN 0.9254
259 3AB 0.9253
260 URA 0.9252
261 LG3 0.9252
262 JIF 0.9251
263 3HB 0.9250
264 7HQ 0.9250
265 L3Q 0.9250
266 26D 0.9249
267 E7Z 0.9246
268 ABV 0.9246
269 JKE 0.9246
270 H42 0.9245
271 AC0 0.9245
272 9DG 0.9244
273 D48 0.9243
274 0P6 0.9242
275 FOA 0.9242
276 PYC 0.9241
277 35C 0.9240
278 HX3 0.9239
279 LG5 0.9238
280 0R0 0.9236
281 KUF 0.9236
282 53C 0.9235
283 AZA 0.9235
284 Q88 0.9234
285 3XX 0.9234
286 8NY 0.9228
287 WOO 0.9227
288 KOJ 0.9227
289 NMJ 0.9226
290 GTQ 0.9225
291 GCS 0.9223
292 XYS 0.9219
293 6X8 0.9219
294 7WV 0.9214
295 RM1 0.9212
296 2HQ 0.9210
297 HFB 0.9209
298 7MH 0.9209
299 3BZ 0.9207
300 BVF 0.9207
301 GUN 0.9207
302 BBF 0.9206
303 1U6 0.9205
304 1XX 0.9204
305 J5I 0.9203
306 8CM 0.9203
307 FCA 0.9200
308 HY3 0.9198
309 4Z4 0.9197
310 FDB 0.9197
311 2PC 0.9196
312 BCF 0.9192
313 ES0 0.9191
314 LGC 0.9191
315 PCI 0.9188
316 2D0 0.9187
317 BMA 0.9187
318 0W8 0.9186
319 WCE 0.9186
320 CIG 0.9186
321 XAN 0.9185
322 4M4 0.9185
323 KBG 0.9184
324 JFD 0.9182
325 8GF 0.9181
326 F3B 0.9180
327 PRO 0.9179
328 265 0.9178
329 284 0.9178
330 CWM 0.9175
331 54G 0.9173
332 CWS 0.9172
333 42A 0.9172
334 AJV 0.9169
335 A2F 0.9169
336 6AP 0.9168
337 5M0 0.9167
338 IGA 0.9166
339 NEQ 0.9165
340 TZC 0.9163
341 OAA 0.9163
342 2ZV 0.9162
343 6F0 0.9161
344 LZM 0.9160
345 GRE 0.9159
346 4NC 0.9156
347 286 0.9155
348 R8A 0.9155
349 CFP 0.9150
350 6CS 0.9149
351 PXL 0.9148
352 BRT 0.9147
353 V55 0.9144
354 JXN 0.9144
355 141 0.9142
356 290 0.9142
357 2EC 0.9141
358 AX7 0.9140
359 270 0.9140
360 MEW 0.9140
361 60P 0.9140
362 IBF 0.9138
363 BOA 0.9136
364 Q24 0.9136
365 YH7 0.9135
366 67N 0.9134
367 273 0.9133
368 23A 0.9132
369 SX1 0.9132
370 DUC 0.9131
371 YTB 0.9130
372 PYG 0.9129
373 SHG 0.9128
374 PE0 0.9124
375 BCP 0.9124
376 7VJ 0.9123
377 MUA 0.9122
378 DX4 0.9122
379 P92 0.9120
380 HH5 0.9118
381 HEW 0.9117
382 HHA 0.9117
383 5MK 0.9115
384 F0J 0.9114
385 JBN 0.9114
386 6GU 0.9113
387 JAB 0.9111
388 ARB 0.9111
389 R8V 0.9111
390 AZ8 0.9110
391 M3T 0.9110
392 5OB 0.9106
393 64K 0.9106
394 TBP 0.9105
395 M6N 0.9103
396 SOE 0.9103
397 KT7 0.9099
398 HGQ 0.9096
399 XM0 0.9096
400 B3R 0.9095
401 UNC 0.9094
402 1XM 0.9094
403 4H2 0.9094
404 M5K 0.9093
405 4HC 0.9093
406 JZ1 0.9090
407 2MI 0.9089
408 XBT 0.9087
409 3FA 0.9087
410 JBQ 0.9085
411 AZG 0.9085
412 M1Q 0.9085
413 3WA 0.9083
414 6HQ 0.9080
415 3MC 0.9079
416 OXC 0.9079
417 2MY 0.9078
418 PFB 0.9078
419 J9W 0.9076
420 14J 0.9074
421 AQO 0.9073
422 TMZ 0.9072
423 9TZ 0.9071
424 3Z8 0.9068
425 MWP 0.9068
426 MRW 0.9063
427 SMV 0.9063
428 2C9 0.9062
429 FLM 0.9060
430 FOT 0.9059
431 C21 0.9059
432 B60 0.9058
433 DGJ 0.9058
434 NOJ 0.9058
435 QX2 0.9057
436 MBD 0.9054
437 DFB 0.9054
438 M1H 0.9053
439 6M1 0.9052
440 DA1 0.9049
441 XX2 0.9045
442 ADK 0.9045
443 ISZ 0.9043
444 FUF 0.9042
445 5XC 0.9042
446 MYJ 0.9040
447 HQE 0.9040
448 AJ2 0.9038
449 ARA 0.9038
450 KJH 0.9037
451 RM4 0.9034
452 BZ3 0.9034
453 QWW 0.9034
454 2HO 0.9033
455 1P3 0.9033
456 K2T 0.9032
457 FFP 0.9032
458 93K 0.9031
459 FPN 0.9030
460 0CU 0.9030
461 M1E 0.9030
462 DIN 0.9029
463 282 0.9029
464 4AA 0.9028
465 GMN 0.9028
466 2A9 0.9028
467 HHQ 0.9027
468 INO 0.9026
469 SYV 0.9026
470 25R 0.9026
471 3HM 0.9025
472 MAQ 0.9025
473 FA0 0.9024
474 MFB 0.9024
475 3MA 0.9024
476 GOO 0.9023
477 NIZ 0.9023
478 3SK 0.9023
479 6MH 0.9022
480 M0Q 0.9022
481 M0W 0.9021
482 12Q 0.9021
483 PCR 0.9020
484 3RK 0.9020
485 ORO 0.9019
486 7VS 0.9018
487 SYN 0.9017
488 RNS 0.9016
489 A7W 0.9015
490 DRL 0.9014
491 3CE 0.9012
492 P9P 0.9012
493 FHB 0.9011
494 7W1 0.9011
495 DHB 0.9009
496 HIS 0.9009
497 LKA 0.9008
498 HQD 0.9008
499 54D 0.9006
500 4JT 0.9006
501 TM4 0.9005
502 4A3 0.9004
503 NPO 0.9004
504 DUB 0.9003
505 FBB 0.9002
506 FCB 0.9002
507 PLQ 0.9000
508 2CM 0.9000
509 3MH 0.9000
510 VNJ 0.9000
511 XQG 0.8999
512 2AK 0.8999
513 J9T 0.8998
514 G5V 0.8998
515 AZ9 0.8998
516 5WX 0.8994
517 4XX 0.8994
518 39A 0.8993
519 EUG 0.8992
520 IJZ 0.8991
521 MO8 0.8991
522 LG4 0.8990
523 PXY 0.8990
524 RIB 0.8990
525 QBK 0.8988
526 GLA 0.8986
527 HPY 0.8985
528 NNO 0.8982
529 9TW 0.8981
530 EA1 0.8980
531 YHO 0.8980
532 285 0.8980
533 F81 0.8975
534 HLZ 0.8973
535 MR1 0.8971
536 3OC 0.8970
537 MLT 0.8970
538 JLZ 0.8969
539 DOB 0.8968
540 5QX 0.8968
541 CFI 0.8968
542 FQI 0.8967
543 KYD 0.8967
544 PXM 0.8966
545 23W 0.8964
546 4M0 0.8964
547 BML 0.8964
548 MAK 0.8962
549 3IT 0.8961
550 4HM 0.8961
551 AW5 0.8960
552 CHB 0.8960
553 4CH 0.8960
554 KIV 0.8960
555 36R 0.8956
556 C2U 0.8956
557 5VM 0.8951
558 ABN 0.8948
559 JUG 0.8947
560 PBR 0.8945
561 MAN 0.8945
562 VGD 0.8940
563 4JN 0.8940
564 TTL 0.8939
565 PHB 0.8938
566 BTY 0.8935
567 SJ5 0.8934
568 R8S 0.8934
569 NDM 0.8932
570 1P8 0.8931
571 KJU 0.8930
572 QSB 0.8930
573 TMT 0.8930
574 2MH 0.8930
575 82I 0.8929
576 CLW 0.8928
577 95Z 0.8928
578 3DM 0.8928
579 4JQ 0.8927
580 URC 0.8926
581 ET2 0.8924
582 5NU 0.8924
583 FBV 0.8923
584 5RN 0.8922
585 B62 0.8922
586 HQT 0.8922
587 MT0 0.8919
588 BHA 0.8916
589 DIU 0.8915
590 0FO 0.8914
591 G1O 0.8913
592 G4D 0.8912
593 MQN 0.8912
594 XYL 0.8910
595 FAN 0.8910
596 H3M 0.8907
597 FBM 0.8905
598 YIO 0.8905
599 K5W 0.8903
600 7MU 0.8902
601 ASC 0.8899
602 MNM 0.8899
603 42C 0.8898
604 ZBT 0.8898
605 4YO 0.8896
606 FPK 0.8896
607 Z82 0.8895
608 0TU 0.8894
609 CTS 0.8894
610 FRU 0.8894
611 XHP 0.8892
612 2H5 0.8892
613 TEP 0.8890
614 URP 0.8890
615 5CU 0.8889
616 173 0.8888
617 DBJ 0.8885
618 B55 0.8885
619 2DR 0.8884
620 CTL 0.8883
621 13X 0.8882
622 44W 0.8882
623 0N7 0.8881
624 HJP 0.8881
625 PY7 0.8881
626 DTL 0.8881
627 VNL 0.8880
628 F31 0.8880
629 AX2 0.8878
630 JA8 0.8878
631 GIO 0.8876
632 ES2 0.8875
633 94N 0.8875
634 IV2 0.8874
635 NOY 0.8872
636 DBX 0.8870
637 6RQ 0.8870
638 IOL 0.8870
639 LMR 0.8869
640 HBD 0.8866
641 PYQ 0.8865
642 IFM 0.8865
643 WDL 0.8864
644 8IG 0.8863
645 PCA 0.8861
646 HBX 0.8861
647 B57 0.8861
648 8OZ 0.8861
649 2XX 0.8860
650 Q6T 0.8860
651 ASO 0.8859
652 75K 0.8858
653 6UA 0.8858
654 IHB 0.8856
655 5ZE 0.8856
656 TFB 0.8856
657 149 0.8855
658 6LW 0.8854
659 3AY 0.8853
660 SRT 0.8853
661 15E 0.8852
662 D07 0.8851
663 HXX 0.8851
664 260 0.8850
665 SKA 0.8848
666 LCN 0.8848
667 12M 0.8847
668 8TX 0.8847
669 CFF 0.8847
670 BDP 0.8840
671 PBZ 0.8839
672 0JD 0.8839
673 IF7 0.8838
674 PAB 0.8838
675 ECE 0.8837
676 AZF 0.8833
677 C2A 0.8833
678 OTW 0.8832
679 FP1 0.8831
680 1Y6 0.8831
681 495 0.8831
682 HZQ 0.8831
683 PYF 0.8830
684 IPB 0.8830
685 IFL 0.8830
686 ZWZ 0.8830
687 F9Y 0.8829
688 G2F 0.8828
689 PZI 0.8827
690 DIE 0.8825
691 GOX 0.8825
692 2ZX 0.8823
693 2FG 0.8823
694 280 0.8823
695 SWA 0.8822
696 HBA 0.8820
697 4VP 0.8820
698 4MA 0.8819
699 826 0.8818
700 F9P 0.8818
701 LSA 0.8817
702 174 0.8815
703 5RO 0.8813
704 5GU 0.8813
705 5JL 0.8813
706 QX4 0.8812
707 XAZ 0.8809
708 EYK 0.8809
709 MRZ 0.8809
710 DQU 0.8805
711 5JQ 0.8804
712 1DU 0.8803
713 JXW 0.8800
714 XCZ 0.8799
715 BR8 0.8799
716 NDH 0.8799
717 TOF 0.8798
718 8ZE 0.8797
719 PKU 0.8797
720 ERH 0.8797
721 8WT 0.8796
722 JZ5 0.8796
723 EVA 0.8795
724 ICO 0.8794
725 CGB 0.8789
726 MVN 0.8788
727 PAF 0.8787
728 X05 0.8786
729 P3K 0.8785
730 261 0.8785
731 2KT 0.8785
732 CIZ 0.8782
733 GLT 0.8778
734 51R 0.8778
735 KG7 0.8777
736 GCB 0.8777
737 URQ 0.8776
738 GZL 0.8775
739 44V 0.8775
740 EKZ 0.8775
741 MXN 0.8774
742 GAF 0.8773
743 2LP 0.8772
744 MFU 0.8772
745 ASP 0.8772
746 TBS 0.8771
747 TAR 0.8770
748 R2B 0.8767
749 3SL 0.8766
750 DYA 0.8765
751 MZB 0.8765
752 SXS 0.8763
753 8WO 0.8763
754 DOR 0.8763
755 SW7 0.8763
756 SVD 0.8761
757 MZW 0.8761
758 LDP 0.8760
759 MB3 0.8760
760 IP0 0.8760
761 PRF 0.8760
762 OXZ 0.8760
763 UEG 0.8760
764 XUL 0.8759
765 4P5 0.8757
766 TFU 0.8755
767 1DV 0.8755
768 UAN 0.8754
769 AC6 0.8753
770 PQ0 0.8753
771 NBE 0.8753
772 P72 0.8752
773 MSN 0.8752
774 KSW 0.8752
775 4JM 0.8750
776 SHA 0.8749
777 RMN 0.8748
778 AKH 0.8748
779 2BG 0.8747
780 N8Y 0.8746
781 7NI 0.8746
782 C5J 0.8746
783 H76 0.8746
784 VOH 0.8745
785 3FH 0.8744
786 12B 0.8742
787 6ME 0.8742
788 UY7 0.8742
789 37T 0.8741
790 4MU 0.8741
791 X09 0.8740
792 LRH 0.8740
793 47J 0.8736
794 M2H 0.8735
795 NTM 0.8733
796 GXL 0.8732
797 FBT 0.8731
798 948 0.8730
799 9FL 0.8730
800 X6X 0.8730
801 717 0.8729
802 RHU 0.8727
803 N2I 0.8727
804 FB2 0.8727
805 PHH 0.8725
806 FPI 0.8724
807 HIU 0.8723
808 6KX 0.8723
809 7B3 0.8722
810 Z6J 0.8721
811 ASN 0.8721
812 5AN 0.8720
813 1MR 0.8720
814 K17 0.8719
815 92K 0.8717
816 KLW 0.8717
817 XIY 0.8717
818 4PW 0.8717
819 FSW 0.8717
820 ZVO 0.8715
821 KPL 0.8714
822 HIO 0.8713
823 OVM 0.8712
824 PHT 0.8711
825 1DQ 0.8710
826 D1X 0.8710
827 3MB 0.8707
828 IPH 0.8706
829 YSO 0.8706
830 BSX 0.8701
831 OK7 0.8701
832 PA1 0.8700
833 DTI 0.8697
834 680 0.8697
835 MLI 0.8694
836 NQ 0.8693
837 JND 0.8689
838 9KT 0.8689
839 GOG 0.8689
840 OW4 0.8689
841 MLA 0.8688
842 1M2 0.8686
843 069 0.8685
844 FBW 0.8684
845 MS9 0.8684
846 1KP 0.8682
847 TSS 0.8680
848 VK3 0.8678
849 TGX 0.8674
850 ICC 0.8671
851 M2K 0.8671
852 APZ 0.8671
853 AFR 0.8670
854 RXA 0.8670
855 TCZ 0.8668
856 4HS 0.8667
857 MBG 0.8667
858 9PO 0.8665
859 MMZ 0.8665
860 S76 0.8664
861 2AL 0.8661
862 CYH 0.8660
863 INE 0.8659
864 329 0.8659
865 SRO 0.8658
866 JYB 0.8653
867 IFP 0.8653
868 KDV 0.8651
869 DHK 0.8651
870 DMJ 0.8650
871 4JL 0.8650
872 BEA 0.8647
873 9CA 0.8647
874 AJY 0.8643
875 RB5 0.8643
876 24T 0.8642
877 PMB 0.8642
878 FB1 0.8640
879 MBN 0.8640
880 SOR 0.8640
881 GIF 0.8640
882 K34 0.8639
883 1IT 0.8638
884 1AB 0.8638
885 O7U 0.8638
886 OVP 0.8637
887 AGK 0.8637
888 TLA 0.8634
889 7ZE 0.8633
890 2ZQ 0.8631
891 PRY 0.8630
892 GCU 0.8630
893 JZ4 0.8629
894 OHG 0.8627
895 NID 0.8625
896 DXX 0.8625
897 KP6 0.8623
898 AMG 0.8623
899 RPQ 0.8621
900 HVK 0.8620
901 C2B 0.8620
902 GIV 0.8618
903 PHU 0.8617
904 FDK 0.8613
905 GJS 0.8612
906 2AP 0.8610
907 HRZ 0.8608
908 1GN 0.8605
909 GDE 0.8605
910 3AP 0.8601
911 SFU 0.8601
912 GXE 0.8600
913 WOT 0.8600
914 CEJ 0.8600
915 4WL 0.8598
916 HAI 0.8592
917 A13 0.8591
918 4AP 0.8587
919 3PY 0.8586
920 GM7 0.8585
921 DPZ 0.8585
922 FUB 0.8585
923 LGA 0.8584
924 DMI 0.8584
925 E60 0.8583
926 CN0 0.8581
927 LI6 0.8580
928 K8X 0.8580
929 FH2 0.8574
930 KIB 0.8570
931 ALO 0.8568
932 HYN 0.8566
933 IPZ 0.8558
934 DNF 0.8557
935 GZ8 0.8554
936 ZXD 0.8554
937 UQ 0.8552
938 0LH 0.8547
939 3R6 0.8547
940 P2D 0.8546
941 K6X 0.8539
942 RUU 0.8530
943 0HO 0.8521
944 PYJ 0.8520
Ligand no: 2; Ligand: NCN; Similar ligands found: 98
No: Ligand Similarity coefficient
1 AMP 0.9424
2 CNU 0.9356
3 G 0.9315
4 IMP 0.9309
5 5GP 0.9288
6 C2R 0.9231
7 8BR 0.9229
8 DU 0.9224
9 TMP 0.9209
10 C5P 0.9197
11 U 0.9195
12 U5P 0.9190
13 5HU 0.9166
14 DA 0.9157
15 UFP 0.9146
16 5FU 0.9141
17 5BU 0.9136
18 TKW 0.9135
19 UMP 0.9130
20 BRU 0.9125
21 AMZ 0.9120
22 C 0.9115
23 NIA 0.9103
24 FMP 0.9101
25 5CM 0.9094
26 PFU 0.9060
27 5IU 0.9049
28 QBT 0.9033
29 FNU 0.9029
30 IMU 0.9014
31 XMP 0.9007
32 NYM 0.9004
33 DUS 0.8991
34 8OP 0.8988
35 IRP 0.8981
36 6MA 0.8975
37 H2U 0.8973
38 2DT 0.8973
39 D4M 0.8973
40 DCM 0.8960
41 D5M 0.8951
42 CAR 0.8942
43 DGP 0.8934
44 CH 0.8928
45 FN5 0.8928
46 5HM 0.8912
47 6MZ 0.8906
48 BVP 0.8900
49 9L3 0.8890
50 FDM 0.8884
51 AS 0.8877
52 6CG 0.8875
53 QIU 0.8871
54 N5O 0.8867
55 DG 0.8859
56 ZAS 0.8857
57 71V 0.8857
58 T3S 0.8854
59 UMC 0.8850
60 J7C 0.8830
61 93A 0.8825
62 M8Q 0.8823
63 U4S 0.8807
64 6OG 0.8801
65 8GM 0.8799
66 6RE 0.8799
67 NEC 0.8796
68 DC 0.8795
69 16B 0.8789
70 Z8B 0.8772
71 AOC 0.8771
72 PSU 0.8769
73 EU2 0.8765
74 NWQ 0.8747
75 7D5 0.8746
76 MTA 0.8737
77 8EQ 0.8736
78 SU1 0.8734
79 ATM 0.8727
80 BMP 0.8724
81 BMQ 0.8722
82 G7M 0.8718
83 8OG 0.8712
84 FYK 0.8708
85 DOC 0.8701
86 NUP 0.8672
87 A3N 0.8660
88 DDN 0.8658
89 1QJ 0.8620
90 ICR 0.8615
91 43J 0.8610
92 PP3 0.8606
93 U3S 0.8604
94 4ZK 0.8592
95 U1S 0.8575
96 U2S 0.8570
97 CA0 0.8562
98 0JO 0.8543
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KQI; Ligand: RBZ; 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: 4kqi.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4KQI; Ligand: RBZ; 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: 4kqi.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4KQI; Ligand: NIO; 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: 4kqi.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4KQI; Ligand: NIO; 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: 4kqi.bio1) has 45 residues
No: Leader PDB Ligand Sequence Similarity
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