Receptor
PDB id Resolution Class Description Source Keywords
1L5O 1.6 Å EC: 2.4.2.21 CRYSTAL STRUCTURE OF COBT COMPLEXED WITH 3,4-DIMETHYLPHENOL 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
2MP A:990;
Valid;
none;
submit data
122.164 C8 H10 O 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: 2MP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 2MP 1 1
2 43M 0.5 0.736842
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: 2MP; Similar ligands found: 1006
No: Ligand Similarity coefficient
1 34A 1.0000
2 XBZ 1.0000
3 275 1.0000
4 4ZE 1.0000
5 MWM 1.0000
6 TH0 1.0000
7 TDR 1.0000
8 URF 1.0000
9 2YU 1.0000
10 1MC 1.0000
11 MCT 0.9995
12 XYD 0.9986
13 ICP 0.9981
14 A1U 0.9979
15 MZG 0.9979
16 5UC 0.9978
17 JZ2 0.9978
18 WBU 0.9977
19 TLD 0.9971
20 2AC 0.9968
21 4JJ 0.9966
22 5MH 0.9963
23 HT4 0.9962
24 TM7 0.9957
25 4JO 0.9955
26 4HO 0.9953
27 5JC 0.9951
28 MWJ 0.9931
29 BR9 0.9924
30 4CL 0.9921
31 PYD 0.9915
32 LXC 0.9897
33 XYP 0.9896
34 27Y 0.9877
35 IUR 0.9857
36 Y8I 0.9842
37 3ZQ 0.9825
38 4XR 0.9754
39 AHR 0.9748
40 40O 0.9742
41 OXE 0.9727
42 RCO 0.9725
43 FPY 0.9724
44 IDH 0.9719
45 XYS 0.9716
46 CAQ 0.9712
47 URA 0.9703
48 4JU 0.9703
49 CRS 0.9697
50 LG3 0.9695
51 24B 0.9692
52 284 0.9687
53 8H8 0.9683
54 ZZT 0.9679
55 3CH 0.9679
56 26D 0.9671
57 LG5 0.9668
58 CYT 0.9668
59 2MH 0.9667
60 HMH 0.9664
61 L89 0.9657
62 1PT 0.9654
63 BEW 0.9651
64 150 0.9650
65 RIP 0.9648
66 2AF 0.9641
67 FYU 0.9632
68 NSP 0.9631
69 2CQ 0.9625
70 92Z 0.9621
71 8LG 0.9618
72 7CZ 0.9612
73 BVF 0.9612
74 0MK 0.9608
75 2CH 0.9607
76 8GF 0.9607
77 1WG 0.9606
78 285 0.9604
79 PCR 0.9602
80 HQE 0.9600
81 FUL 0.9596
82 1DW 0.9595
83 FP2 0.9588
84 PXY 0.9587
85 HX3 0.9585
86 FUC 0.9583
87 3Z7 0.9580
88 HTS 0.9579
89 1AN 0.9579
90 0TR 0.9577
91 T6C 0.9576
92 RSF 0.9576
93 ARB 0.9574
94 25R 0.9572
95 PLQ 0.9570
96 LG4 0.9566
97 4ZC 0.9562
98 JIF 0.9560
99 4CH 0.9558
100 45C 0.9557
101 DA1 0.9555
102 FPN 0.9552
103 G6D 0.9551
104 F4Z 0.9547
105 ADE 0.9546
106 7MH 0.9544
107 DFU 0.9544
108 938 0.9541
109 B3R 0.9539
110 M3T 0.9537
111 KOJ 0.9537
112 TH7 0.9536
113 DEN 0.9531
114 76X 0.9529
115 TC7 0.9528
116 BZF 0.9528
117 93Q 0.9526
118 HPA 0.9524
119 NK 0.9522
120 CIG 0.9522
121 4H2 0.9522
122 DUC 0.9520
123 YAN 0.9518
124 JFD 0.9515
125 BZI 0.9508
126 IND 0.9507
127 4HS 0.9504
128 6X8 0.9503
129 HEW 0.9502
130 FPI 0.9497
131 PYG 0.9496
132 GVH 0.9494
133 JZ3 0.9493
134 PM6 0.9492
135 ES4 0.9491
136 FCA 0.9490
137 25W 0.9487
138 10L 0.9485
139 IOL 0.9484
140 282 0.9484
141 9DA 0.9483
142 4XX 0.9483
143 HMU 0.9481
144 TMZ 0.9480
145 4JP 0.9480
146 9HX 0.9479
147 23A 0.9478
148 BML 0.9474
149 HBA 0.9474
150 J1Z 0.9474
151 GLC 0.9473
152 CYH 0.9472
153 7HP 0.9470
154 LZ1 0.9470
155 0R1 0.9468
156 0CT 0.9468
157 DFB 0.9465
158 7WA 0.9463
159 TMT 0.9461
160 MPI 0.9461
161 6MP 0.9459
162 XXR 0.9459
163 HGQ 0.9456
164 JAE 0.9454
165 BZX 0.9454
166 BTE 0.9451
167 9EW 0.9443
168 AMC 0.9441
169 3XX 0.9440
170 PHB 0.9440
171 BP1 0.9435
172 0R0 0.9434
173 4JN 0.9433
174 ECE 0.9432
175 IDM 0.9428
176 HHQ 0.9426
177 CXL 0.9425
178 H3M 0.9423
179 3MC 0.9422
180 3FA 0.9413
181 SVN 0.9413
182 HBX 0.9412
183 TBP 0.9409
184 0RW 0.9408
185 270 0.9406
186 MBD 0.9405
187 HPY 0.9405
188 HAI 0.9405
189 F81 0.9402
190 1XX 0.9400
191 5H1 0.9398
192 14O 0.9398
193 AX7 0.9395
194 Q88 0.9394
195 ABE 0.9388
196 SAL 0.9386
197 ISN 0.9382
198 GMN 0.9382
199 2C9 0.9381
200 ES0 0.9377
201 PY7 0.9376
202 YCP 0.9374
203 6M9 0.9372
204 V55 0.9367
205 KKN 0.9367
206 CWM 0.9366
207 DUB 0.9366
208 MLT 0.9366
209 ABN 0.9365
210 SYN 0.9365
211 F05 0.9362
212 NOJ 0.9360
213 4M4 0.9359
214 ADZ 0.9356
215 6MH 0.9356
216 BEZ 0.9355
217 QUZ 0.9353
218 RIB 0.9353
219 7W4 0.9351
220 64K 0.9350
221 HLR 0.9349
222 FFP 0.9347
223 JBE 0.9347
224 ABV 0.9346
225 OXQ 0.9346
226 6AI 0.9343
227 B53 0.9342
228 NPY 0.9342
229 BEN 0.9342
230 C2B 0.9341
231 6M4 0.9340
232 V1L 0.9340
233 NBZ 0.9337
234 F0J 0.9334
235 5MB 0.9334
236 ICC 0.9334
237 5MI 0.9331
238 YHO 0.9331
239 6PC 0.9331
240 KIV 0.9329
241 FLM 0.9328
242 2MY 0.9326
243 ES9 0.9325
244 2K4 0.9322
245 P92 0.9321
246 M1A 0.9320
247 BGC 0.9320
248 F60 0.9316
249 AZF 0.9316
250 2CM 0.9315
251 HIU 0.9315
252 QWN 0.9312
253 23W 0.9312
254 11S 0.9310
255 H4N 0.9310
256 XQ0 0.9309
257 2MI 0.9309
258 LMR 0.9308
259 2D0 0.9307
260 FK1 0.9306
261 DTL 0.9306
262 FUF 0.9301
263 3M0 0.9301
264 H8N 0.9301
265 RAM 0.9301
266 XM0 0.9301
267 SOE 0.9301
268 BR8 0.9300
269 9DG 0.9300
270 IPH 0.9300
271 5WV 0.9299
272 AX2 0.9299
273 BAM 0.9299
274 24W 0.9298
275 1P7 0.9294
276 NCA 0.9293
277 286 0.9291
278 67N 0.9291
279 DGJ 0.9291
280 GYE 0.9291
281 2IM 0.9291
282 3CE 0.9288
283 G2F 0.9288
284 BE2 0.9286
285 2DR 0.9285
286 7B4 0.9283
287 PYF 0.9283
288 5AN 0.9283
289 4VP 0.9282
290 DBH 0.9281
291 IFM 0.9280
292 TM4 0.9279
293 5Q0 0.9279
294 1SQ 0.9279
295 JZ9 0.9278
296 C2A 0.9278
297 ES7 0.9276
298 5IQ 0.9276
299 6UA 0.9276
300 3F0 0.9275
301 N5J 0.9272
302 HY3 0.9270
303 G4D 0.9269
304 MBN 0.9268
305 MAK 0.9266
306 13X 0.9265
307 4HM 0.9265
308 OXZ 0.9265
309 4YS 0.9263
310 5NU 0.9263
311 6HQ 0.9263
312 ES6 0.9262
313 GXE 0.9262
314 NMJ 0.9261
315 NOY 0.9260
316 1LQ 0.9258
317 3U4 0.9258
318 OAA 0.9258
319 3AP 0.9257
320 5SG 0.9256
321 1NP 0.9256
322 JPZ 0.9255
323 PRO 0.9255
324 FCB 0.9253
325 9X7 0.9253
326 A2Q 0.9252
327 FOA 0.9252
328 ES1 0.9251
329 4JL 0.9251
330 IT2 0.9249
331 1MR 0.9248
332 4AP 0.9248
333 2AP 0.9245
334 GUN 0.9244
335 DMD 0.9243
336 WOT 0.9242
337 HVK 0.9242
338 R8A 0.9241
339 HQY 0.9240
340 GCS 0.9240
341 AZA 0.9239
342 FBA 0.9238
343 S76 0.9238
344 NIO 0.9238
345 3AY 0.9237
346 WDL 0.9237
347 1LM 0.9236
348 RM4 0.9236
349 JZ0 0.9234
350 G3F 0.9234
351 9PO 0.9232
352 IFL 0.9231
353 2A9 0.9230
354 4SV 0.9230
355 GBD 0.9228
356 HRZ 0.9228
357 PYC 0.9228
358 JZ1 0.9227
359 XAN 0.9227
360 2PC 0.9227
361 3DM 0.9225
362 COU 0.9225
363 5ZE 0.9224
364 6CS 0.9222
365 YTB 0.9222
366 2CK 0.9221
367 ARA 0.9220
368 5RG 0.9219
369 FA0 0.9218
370 3HA 0.9217
371 3MH 0.9217
372 QXW 0.9217
373 F5B 0.9216
374 DSN 0.9216
375 4XH 0.9213
376 280 0.9213
377 4CS 0.9212
378 3ID 0.9211
379 03V 0.9210
380 2KT 0.9210
381 FE DB1 0.9209
382 5CU 0.9207
383 24T 0.9207
384 4M0 0.9206
385 4NC 0.9205
386 NEQ 0.9205
387 8NY 0.9204
388 PZA 0.9203
389 8GC 0.9203
390 3RK 0.9199
391 DOB 0.9198
392 R8S 0.9198
393 BCP 0.9198
394 HH8 0.9195
395 R2B 0.9195
396 P9P 0.9194
397 8S0 0.9194
398 DHB 0.9193
399 IGA 0.9193
400 A2F 0.9192
401 25T 0.9191
402 TP5 0.9190
403 GAL 0.9189
404 MYJ 0.9188
405 GAG 0.9185
406 H42 0.9185
407 4FS 0.9184
408 2AQ 0.9183
409 8CL 0.9181
410 LGA 0.9180
411 DGY 0.9180
412 GTQ 0.9179
413 BOA 0.9179
414 3NT 0.9179
415 VAL 0.9179
416 BHA 0.9177
417 NBE 0.9177
418 EXO 0.9177
419 MFB 0.9176
420 DMG 0.9176
421 94N 0.9174
422 DX4 0.9174
423 5B1 0.9173
424 141 0.9173
425 RNS 0.9173
426 ERH 0.9171
427 UNU 0.9170
428 EUG 0.9169
429 4A3 0.9169
430 MNM 0.9168
431 SS1 0.9168
432 JKE 0.9165
433 VGL 0.9163
434 L3Q 0.9162
435 60P 0.9161
436 3HB 0.9161
437 NTN 0.9161
438 JB5 0.9160
439 93K 0.9158
440 CFP 0.9158
441 OHG 0.9158
442 CEJ 0.9157
443 5M0 0.9155
444 VNJ 0.9155
445 PCA 0.9155
446 QOS 0.9150
447 2A7 0.9150
448 AC0 0.9150
449 KSW 0.9149
450 7VJ 0.9148
451 ADK 0.9147
452 INO 0.9146
453 LDU 0.9146
454 RSO 0.9146
455 1XM 0.9145
456 MB3 0.9144
457 3HM 0.9143
458 DTI 0.9143
459 3DO 0.9143
460 JLZ 0.9142
461 12M 0.9142
462 XX2 0.9141
463 54G 0.9139
464 ES5 0.9138
465 290 0.9137
466 1DH 0.9136
467 47J 0.9135
468 URQ 0.9135
469 APY 0.9134
470 CYS 0.9133
471 KG7 0.9132
472 9TZ 0.9131
473 QSC 0.9131
474 KYD 0.9131
475 2HO 0.9130
476 TTO 0.9130
477 XBT 0.9129
478 CRN 0.9128
479 5CL 0.9126
480 NPO 0.9125
481 HSE 0.9125
482 HH5 0.9123
483 BP9 0.9123
484 82I 0.9120
485 FHB 0.9120
486 7HQ 0.9120
487 PYJ 0.9120
488 RM1 0.9119
489 JBN 0.9118
490 OCH 0.9117
491 I3A 0.9117
492 TAR 0.9117
493 7EX 0.9117
494 E60 0.9113
495 2ZX 0.9111
496 6AP 0.9111
497 ASO 0.9110
498 3AB 0.9110
499 JAB 0.9109
500 TZC 0.9109
501 HHN 0.9109
502 SER 0.9108
503 SWD 0.9106
504 6LW 0.9106
505 GOO 0.9104
506 MLI 0.9103
507 5HN 0.9102
508 273 0.9102
509 1DU 0.9101
510 FDB 0.9100
511 1XN 0.9100
512 DTU 0.9100
513 EQT 0.9098
514 ISE 0.9097
515 CHB 0.9094
516 AZG 0.9093
517 6GU 0.9093
518 YH7 0.9092
519 PBC 0.9092
520 C5J 0.9091
521 NNO 0.9089
522 2XX 0.9088
523 1WD 0.9087
524 7WV 0.9086
525 0W8 0.9086
526 CIZ 0.9086
527 5AC 0.9085
528 5MK 0.9085
529 3SK 0.9084
530 PAF 0.9084
531 URC 0.9083
532 IF7 0.9082
533 2H5 0.9079
534 ASP 0.9078
535 GLA 0.9078
536 0CU 0.9076
537 DXX 0.9074
538 MMZ 0.9074
539 3PY 0.9073
540 0P6 0.9071
541 B55 0.9071
542 HHA 0.9070
543 HYN 0.9070
544 BTY 0.9069
545 GIO 0.9068
546 MLA 0.9068
547 GAB 0.9066
548 LCN 0.9066
549 SX1 0.9065
550 C21 0.9065
551 H76 0.9065
552 36R 0.9063
553 9TW 0.9063
554 TCZ 0.9063
555 FAN 0.9061
556 4JM 0.9060
557 IPB 0.9058
558 WCE 0.9058
559 HSL 0.9058
560 5VM 0.9057
561 717 0.9057
562 TFB 0.9056
563 1AB 0.9055
564 VGD 0.9055
565 53C 0.9055
566 ET2 0.9053
567 MZ0 0.9053
568 OVV 0.9050
569 BRT 0.9049
570 42A 0.9049
571 2EC 0.9049
572 FP1 0.9048
573 9TY 0.9048
574 VNL 0.9047
575 M58 0.9044
576 LZM 0.9044
577 URP 0.9044
578 INS 0.9044
579 KT7 0.9042
580 KJY 0.9041
581 PIH 0.9041
582 HGW 0.9041
583 3MA 0.9040
584 75K 0.9040
585 SEJ 0.9038
586 EDG 0.9037
587 PXL 0.9036
588 260 0.9036
589 8TX 0.9036
590 261 0.9035
591 ASN 0.9034
592 GIV 0.9033
593 CWS 0.9032
594 6F0 0.9032
595 CLW 0.9030
596 KUF 0.9029
597 9MG 0.9029
598 BE7 0.9028
599 AGK 0.9028
600 NIZ 0.9028
601 XQG 0.9027
602 86J 0.9026
603 YIO 0.9026
604 1P8 0.9023
605 2ZV 0.9021
606 ALL 0.9021
607 14J 0.9020
608 B57 0.9019
609 IHB 0.9018
610 X6X 0.9018
611 PZI 0.9018
612 8CM 0.9017
613 MRY 0.9016
614 FBB 0.9015
615 RP7 0.9014
616 Z82 0.9014
617 DAB 0.9013
618 GRE 0.9012
619 PXM 0.9010
620 2FG 0.9009
621 XAZ 0.9008
622 93B 0.9008
623 265 0.9004
624 NVI 0.9004
625 MAE 0.9003
626 6M1 0.9003
627 THR 0.9002
628 WOO 0.9000
629 FOT 0.8998
630 JFJ 0.8998
631 5OB 0.8997
632 149 0.8997
633 VOH 0.8996
634 MBG 0.8996
635 DHK 0.8995
636 L60 0.8994
637 35C 0.8994
638 PAB 0.8994
639 3BZ 0.8993
640 K2T 0.8992
641 M2H 0.8992
642 UNC 0.8992
643 BZ3 0.8990
644 54D 0.8989
645 P3K 0.8987
646 A7W 0.8986
647 1P3 0.8985
648 LRH 0.8984
649 XIX 0.8983
650 IP0 0.8982
651 O7U 0.8979
652 ES2 0.8977
653 FRU 0.8976
654 9CL 0.8972
655 5JQ 0.8972
656 8IG 0.8972
657 FPK 0.8972
658 DIE 0.8971
659 ITN 0.8971
660 GIF 0.8969
661 HJP 0.8968
662 PA1 0.8968
663 GXY 0.8965
664 5JL 0.8963
665 LGC 0.8963
666 ALO 0.8962
667 KBG 0.8962
668 5XC 0.8960
669 FQI 0.8960
670 MAN 0.8960
671 JBK 0.8959
672 HBD 0.8958
673 MR1 0.8957
674 SWA 0.8955
675 3OC 0.8954
676 1Y6 0.8953
677 PBZ 0.8953
678 SMV 0.8953
679 FLA 0.8953
680 8WO 0.8952
681 RUU 0.8952
682 GAF 0.8951
683 AZ8 0.8949
684 XUL 0.8949
685 4AA 0.8948
686 ABA 0.8947
687 ZBT 0.8945
688 ZZ3 0.8944
689 MEW 0.8943
690 M1E 0.8941
691 E7Z 0.8940
692 Z6J 0.8940
693 278 0.8940
694 MZW 0.8938
695 ISZ 0.8937
696 M1Q 0.8935
697 GXL 0.8933
698 ORO 0.8933
699 XIY 0.8933
700 BSX 0.8932
701 BVC 0.8930
702 PE0 0.8929
703 BHO 0.8929
704 XRG 0.8927
705 4MA 0.8925
706 C2U 0.8924
707 1GN 0.8923
708 39A 0.8922
709 DMJ 0.8920
710 MRW 0.8917
711 DMI 0.8916
712 2HQ 0.8915
713 HFB 0.8913
714 3Z8 0.8913
715 LER 0.8912
716 PEA 0.8911
717 4PW 0.8910
718 LDP 0.8909
719 32X 0.8907
720 AC6 0.8904
721 7W1 0.8903
722 42J 0.8903
723 174 0.8903
724 AUD 0.8902
725 J9W 0.8901
726 Q24 0.8900
727 KPL 0.8900
728 FUB 0.8900
729 BMA 0.8900
730 12Q 0.8898
731 7WG 0.8898
732 G5V 0.8896
733 CGB 0.8893
734 QWW 0.8892
735 DOR 0.8892
736 MO8 0.8890
737 4FA 0.8890
738 DIN 0.8889
739 AJ2 0.8889
740 9YL 0.8889
741 4JT 0.8887
742 TTL 0.8885
743 UGC 0.8884
744 IJZ 0.8884
745 SW7 0.8883
746 GLU 0.8883
747 SKA 0.8880
748 SS2 0.8880
749 QX2 0.8878
750 MSN 0.8878
751 M5K 0.8877
752 OXC 0.8875
753 CXF 0.8875
754 DIU 0.8874
755 ICF 0.8873
756 HQT 0.8873
757 SRT 0.8872
758 JZ5 0.8871
759 P2D 0.8871
760 PFB 0.8870
761 5QX 0.8868
762 8WT 0.8867
763 HIO 0.8867
764 826 0.8865
765 DRL 0.8865
766 AQO 0.8864
767 IV2 0.8864
768 NXA 0.8864
769 UY7 0.8864
770 SHG 0.8863
771 O72 0.8861
772 UEG 0.8860
773 DYA 0.8854
774 SJ5 0.8854
775 MWP 0.8853
776 HVQ 0.8853
777 2LP 0.8852
778 FDK 0.8852
779 BDP 0.8851
780 4HC 0.8850
781 F31 0.8850
782 3SL 0.8849
783 5RN 0.8846
784 IMR 0.8845
785 EKZ 0.8845
786 A65 0.8844
787 D1X 0.8844
788 PCI 0.8843
789 SKM 0.8839
790 P72 0.8838
791 BNS 0.8838
792 DQN 0.8836
793 4Z4 0.8835
794 G3E 0.8833
795 DHQ 0.8829
796 3WA 0.8828
797 JBQ 0.8828
798 R1X 0.8827
799 40E 0.8827
800 ILE 0.8826
801 BCF 0.8824
802 3PF 0.8823
803 MT0 0.8822
804 69O 0.8821
805 4AX 0.8820
806 KJH 0.8818
807 CFI 0.8816
808 BBF 0.8815
809 EA1 0.8812
810 HXX 0.8810
811 TFU 0.8810
812 BVG 0.8807
813 34D 0.8806
814 1M2 0.8806
815 M0Q 0.8806
816 AAE 0.8805
817 I1N 0.8804
818 JBH 0.8802
819 F3B 0.8801
820 CTL 0.8801
821 M2K 0.8801
822 FBM 0.8799
823 IPZ 0.8799
824 GDE 0.8799
825 LT2 0.8799
826 FH2 0.8798
827 AW5 0.8795
828 KIB 0.8794
829 NDM 0.8793
830 7NI 0.8793
831 B24 0.8792
832 32O 0.8792
833 F9P 0.8791
834 IBF 0.8790
835 RHU 0.8789
836 1U6 0.8788
837 ZXD 0.8787
838 RB5 0.8785
839 AEF 0.8785
840 TLA 0.8783
841 HZQ 0.8782
842 95Z 0.8782
843 1LN 0.8782
844 PZM 0.8780
845 DAS 0.8779
846 2BG 0.8778
847 SIN 0.8778
848 OK7 0.8777
849 MRZ 0.8776
850 F9Y 0.8774
851 5QY 0.8774
852 3MG 0.8774
853 7VS 0.8773
854 5WX 0.8772
855 JZ4 0.8769
856 PRS 0.8768
857 JA8 0.8768
858 SHA 0.8767
859 192 0.8764
860 TZE 0.8760
861 PEL 0.8759
862 4XV 0.8758
863 OVM 0.8758
864 8ZE 0.8758
865 ICO 0.8755
866 HCS 0.8754
867 Q6T 0.8750
868 XYL 0.8750
869 948 0.8750
870 HSM 0.8750
871 CEE 0.8750
872 3IT 0.8749
873 ORN 0.8749
874 IFP 0.8748
875 BDF 0.8747
876 173 0.8746
877 495 0.8744
878 7N0 0.8743
879 X0V 0.8741
880 SYV 0.8739
881 TIU 0.8739
882 DBB 0.8737
883 A3B 0.8737
884 PEP 0.8736
885 NVA 0.8735
886 5RO 0.8732
887 MUA 0.8731
888 FBV 0.8729
889 AFR 0.8728
890 3MT 0.8728
891 MQN 0.8727
892 6RQ 0.8725
893 2RA 0.8725
894 PBE 0.8725
895 SE2 0.8724
896 FGZ 0.8721
897 TEO 0.8721
898 3FH 0.8721
899 HUI 0.8720
900 51R 0.8720
901 EV0 0.8719
902 3V4 0.8716
903 7MU 0.8716
904 4JQ 0.8716
905 4YO 0.8713
906 AKB 0.8713
907 HLZ 0.8712
908 YRL 0.8712
909 DBJ 0.8710
910 LSA 0.8709
911 D48 0.8707
912 J5I 0.8706
913 3MB 0.8706
914 DHS 0.8705
915 EYK 0.8705
916 94B 0.8703
917 ARW 0.8702
918 PHU 0.8701
919 PKU 0.8700
920 HZP 0.8699
921 2AL 0.8699
922 M6N 0.8698
923 DBX 0.8696
924 GLF 0.8695
925 0TU 0.8695
926 DPR 0.8695
927 4XS 0.8693
928 KJU 0.8693
929 TWO 0.8692
930 XHP 0.8691
931 DCY 0.8689
932 FA1 0.8689
933 OTW 0.8688
934 AKH 0.8686
935 PRF 0.8679
936 R8V 0.8678
937 2MN 0.8676
938 M0W 0.8676
939 4P5 0.8675
940 ZWZ 0.8673
941 PQ0 0.8672
942 PRY 0.8671
943 HYP 0.8669
944 HX2 0.8666
945 6KX 0.8662
946 QBK 0.8661
947 42C 0.8660
948 TEP 0.8659
949 B62 0.8655
950 H7Y 0.8650
951 44W 0.8648
952 XLS 0.8647
953 0FO 0.8644
954 ASC 0.8640
955 DQU 0.8639
956 GLT 0.8639
957 AZ9 0.8636
958 SOR 0.8634
959 EOL 0.8633
960 N2I 0.8633
961 SF9 0.8631
962 4SX 0.8631
963 B60 0.8629
964 KP6 0.8629
965 HY1 0.8628
966 XCZ 0.8625
967 NTM 0.8623
968 37T 0.8621
969 680 0.8621
970 LYL 0.8618
971 PBR 0.8617
972 0HO 0.8615
973 LFR 0.8614
974 DHR 0.8613
975 HQD 0.8612
976 AEH 0.8611
977 MET 0.8610
978 BEA 0.8609
979 MFU 0.8603
980 OW4 0.8597
981 PYQ 0.8597
982 2AK 0.8593
983 GJS 0.8592
984 MVN 0.8587
985 KMT 0.8587
986 KDV 0.8586
987 SXS 0.8585
988 PHT 0.8581
989 I2M 0.8581
990 2FY 0.8581
991 92K 0.8580
992 SFU 0.8580
993 GCB 0.8577
994 12B 0.8573
995 ANN 0.8568
996 MAQ 0.8561
997 KLW 0.8561
998 5GU 0.8560
999 TGX 0.8560
1000 N8Y 0.8556
1001 NQ 0.8552
1002 44V 0.8550
1003 VK3 0.8546
1004 GM7 0.8542
1005 4ZA 0.8533
1006 0HN 0.8518
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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