Receptor
PDB id Resolution Class Description Source Keywords
5GRF 2.5 Å EC: 1.1.1.41 CRYSTAL STRUCTURE OF THE ALPHA GAMMA MUTANT (GAMMA-K151A) OF IDH3 IN COMPLEX WITH MG(2+), CITRATE AND ADP HOMO SAPIENS K151A MUTANT ALLOSTERIC REGULATION OXIDOREDUCTASE
Ref.: MOLECULAR MECHANISM OF THE ALLOSTERIC REGULATION OF ALPHA GAMMA HETERODIMER OF HUMAN NAD-DEPENDENT ISOC DEHYDROGENASE. SCI REP V. 7 40921 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:403;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
ADP B:402;
 Valid;
 none;
 submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
CIT B:401;
 Valid;
 none;
 submit data
192.124 C6 H8 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5YVT 2.4 Å EC: 1.1.1.41 CRYSTAL STRUCTURE OF THE ALPHA GAMMA HETERODIMER OF HUMAN ID COMPLEX WITH MG(2+) AND NADH HOMO SAPIENS NADH INHIBITION OXIDOREDUCTASE
Ref.: INSIGHTS INTO THE INHIBITORY MECHANISMS OF NADH ON GAMMA HETERODIMER OF HUMAN NAD-DEPENDENT ISOCITRATE DEHYDROGENASE. SCI REP V. 8 3146 2018
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5YVT Kd = 109 uM NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 6L59 - CIT C6 H8 O7 C(C(=O)O)C....
3 5GRF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 5GRI - CIT C6 H8 O7 C(C(=O)O)C....
5 6L57 - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5YVT Kd = 109 uM NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 6L59 - CIT C6 H8 O7 C(C(=O)O)C....
3 5GRF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 5GRI - CIT C6 H8 O7 C(C(=O)O)C....
5 6L57 - CIT C6 H8 O7 C(C(=O)O)C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5GRF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ADP; Similar ligands found: 520
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 HEJ 0.9 1
4 A2D 0.895522 0.971831
5 AQP 0.887324 1
6 5FA 0.887324 1
7 B4P 0.884058 0.971831
8 AP5 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 AD9 0.8 0.972222
22 AGS 0.8 0.945946
23 AMP MG 0.785714 0.929577
24 CA0 0.783784 0.945205
25 ADX 0.783784 0.873418
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 KG4 0.773333 0.945205
30 45A 0.763889 0.917808
31 ABM 0.763889 0.917808
32 APC 0.763158 0.958904
33 PRX 0.763158 0.893333
34 HQG 0.7625 0.985915
35 ATF 0.759494 0.958904
36 A22 0.753086 0.985915
37 ADP BEF 0.746667 0.943662
38 ADP MG 0.746667 0.943662
39 A12 0.743243 0.958904
40 AP2 0.743243 0.958904
41 SRA 0.736111 0.918919
42 ADQ 0.73494 0.945205
43 25L 0.732558 0.985915
44 5AL 0.725 0.931507
45 8LE 0.725 0.894737
46 2A5 0.717949 0.918919
47 A1R 0.714286 0.907895
48 AU1 0.714286 0.972222
49 A3R 0.714286 0.907895
50 APC MG 0.708861 0.917808
51 ATR 0.708861 0.971429
52 PAP 0.708861 0.985714
53 ATP MG 0.708861 0.943662
54 ADP PO3 0.708861 0.943662
55 8LH 0.707317 0.906667
56 SRP 0.707317 0.906667
57 7D3 0.706667 0.905405
58 JNT 0.705882 0.945205
59 OZV 0.702381 0.971831
60 25A 0.702381 0.971831
61 BEF ADP 0.7 0.917808
62 OAD 0.697674 0.945205
63 9X8 0.697674 0.92
64 8LQ 0.690476 0.906667
65 QA7 0.690476 0.894737
66 RBY 0.6875 0.932432
67 ADV 0.6875 0.932432
68 00A 0.686047 0.883117
69 5SV 0.682353 0.848101
70 OOB 0.682353 0.931507
71 8QN 0.682353 0.931507
72 3OD 0.681818 0.945205
73 BIS 0.681818 0.933333
74 ANP MG 0.674699 0.931507
75 VO4 ADP 0.674699 0.945205
76 ALF ADP 0.674699 0.87013
77 AMO 0.674419 0.932432
78 4AD 0.674419 0.92
79 PAJ 0.674419 0.884615
80 GAP 0.670732 0.893333
81 MAP 0.670588 0.945946
82 DLL 0.666667 0.931507
83 AHX 0.666667 0.896104
84 PTJ 0.662921 0.896104
85 V2G 0.662651 0.896104
86 KMQ 0.659341 0.932432
87 3UK 0.659091 0.918919
88 SON 0.658228 0.932432
89 LMS 0.653333 0.82716
90 B5V 0.651685 0.906667
91 WAQ 0.651685 0.883117
92 LAD 0.651685 0.860759
93 PR8 0.651685 0.85
94 7D4 0.65 0.905405
95 ITT 0.65 0.943662
96 G5P 0.648936 0.921053
97 RAB 0.647059 0.84507
98 XYA 0.647059 0.84507
99 ADN 0.647059 0.84507
100 ME8 0.644444 0.839506
101 TXA 0.644444 0.932432
102 NB8 0.644444 0.896104
103 FYA 0.644444 0.905405
104 1ZZ 0.644444 0.839506
105 6AD 0.642857 0.909091
106 ADP BMA 0.640449 0.918919
107 G3A 0.638298 0.921053
108 DAL AMP 0.632184 0.905405
109 AFH 0.631579 0.884615
110 9SN 0.630435 0.871795
111 9ZA 0.625 0.907895
112 DQV 0.625 0.958333
113 GTA 0.625 0.886076
114 9ZD 0.625 0.907895
115 FA5 0.623656 0.906667
116 B5M 0.623656 0.894737
117 B5Y 0.623656 0.894737
118 UP5 0.622449 0.92
119 CUU 0.621951 0.971831
120 NO7 0.62069 0.932432
121 JSQ 0.619048 0.945946
122 HFD 0.619048 0.945946
123 XAH 0.617021 0.839506
124 AV2 0.616279 0.917808
125 AOC 0.615385 0.821918
126 48N 0.612245 0.896104
127 4UV 0.610526 0.894737
128 NAX 0.606061 0.873418
129 DND 0.606061 0.932432
130 TXD 0.606061 0.907895
131 NAI 0.606061 0.907895
132 6V0 0.606061 0.896104
133 5N5 0.605634 0.819444
134 5AS 0.604938 0.77907
135 A4P 0.60396 0.843373
136 DAT 0.60241 0.905405
137 A2R 0.602273 0.985915
138 OMR 0.6 0.851852
139 TXE 0.6 0.907895
140 GA7 0.597938 0.906667
141 4UU 0.597938 0.894737
142 5CD 0.597222 0.805556
143 A4D 0.597222 0.819444
144 L3W 0.594059 0.932432
145 AP0 0.594059 0.896104
146 4TC 0.594059 0.896104
147 A3P 0.592593 0.971429
148 T5A 0.592233 0.841463
149 139 0.592233 0.873418
150 7D5 0.592105 0.878378
151 ATP A A A 0.589474 0.930556
152 ATP A 0.589474 0.930556
153 LAQ 0.585859 0.839506
154 MYR AMP 0.585106 0.817073
155 H1Q 0.583333 0.90411
156 F2R 0.580952 0.864198
157 YLP 0.58 0.819277
158 UPA 0.578431 0.907895
159 7DD 0.578313 0.985714
160 3AM 0.576923 0.929577
161 ADJ 0.576923 0.851852
162 NAD 0.575472 0.931507
163 COD 0.575472 0.811765
164 3AT 0.574713 0.971831
165 JB6 0.574468 0.883117
166 4UW 0.574257 0.860759
167 EP4 0.573333 0.753247
168 A2P 0.573171 0.957143
169 CNA 0.571429 0.932432
170 TYM 0.568627 0.906667
171 PPS 0.568182 0.873418
172 DTA 0.565789 0.786667
173 M2T 0.565789 0.734177
174 AR6 AR6 0.565657 0.917808
175 80F 0.564815 0.841463
176 A3D 0.564815 0.918919
177 3DH 0.564103 0.773333
178 G5A 0.563218 0.77907
179 YLB 0.563107 0.819277
180 YLC 0.563107 0.839506
181 AMP DBH 0.561224 0.893333
182 MTA 0.558442 0.773333
183 DTP 0.556818 0.905405
184 AHZ 0.554455 0.817073
185 NA7 0.553191 0.958904
186 IOT 0.552381 0.831325
187 ARG AMP 0.55 0.829268
188 ZAS 0.55 0.766234
189 7MD 0.55 0.8625
190 IMO 0.548781 0.929577
191 YLA 0.54717 0.819277
192 NAE 0.544643 0.894737
193 TAD 0.544554 0.884615
194 A5A 0.544444 0.807229
195 2AM 0.544304 0.943662
196 TSB 0.543478 0.819277
197 6RE 0.54321 0.759494
198 6MZ 0.542169 0.930556
199 AYB 0.542056 0.809524
200 NAQ 0.539823 0.871795
201 V3L 0.539326 0.971831
202 AF3 ADP 3PG 0.538462 0.8375
203 ALF ADP 3PG 0.538462 0.8375
204 SSA 0.538462 0.8
205 ZID 0.535088 0.918919
206 LPA AMP 0.533981 0.817073
207 NAD IBO 0.533333 0.917808
208 NAD TDB 0.533333 0.917808
209 VMS 0.532609 0.788235
210 54H 0.532609 0.788235
211 52H 0.532609 0.77907
212 BTX 0.53211 0.841463
213 A3N 0.53012 0.786667
214 J7C 0.53012 0.769231
215 5X8 0.528736 0.763158
216 BT5 0.527273 0.831325
217 53H 0.526882 0.77907
218 8X1 0.526882 0.752809
219 5CA 0.526882 0.8
220 ARU 0.526316 0.860759
221 EAD 0.525862 0.873418
222 RGT 0.525253 0.958904
223 OVE 0.52439 0.905405
224 S4M 0.52381 0.666667
225 7DT 0.522727 0.985714
226 DDS 0.522222 0.878378
227 GDP 0.522222 0.92
228 38V 0.521739 0.886076
229 AVV 0.521277 0.896104
230 NDE 0.521008 0.932432
231 LEU LMS 0.520833 0.730337
232 7MC 0.518868 0.841463
233 DSH 0.518072 0.725
234 MAO 0.517647 0.759036
235 LSS 0.515789 0.761364
236 DSZ 0.515789 0.8
237 NSS 0.515789 0.8
238 P5A 0.515464 0.744444
239 DZD 0.513514 0.884615
240 NWW 0.513158 0.760563
241 O02 0.511111 0.921053
242 NVA LMS 0.510417 0.752809
243 9K8 0.510204 0.714286
244 12D 0.509615 0.785714
245 YLY 0.508772 0.809524
246 M24 0.508772 0.85
247 P1H 0.508333 0.851852
248 5AD 0.506849 0.746479
249 GJV 0.505882 0.75
250 AMP NAD 0.504505 0.905405
251 4TA 0.504505 0.807229
252 NAJ PZO 0.504425 0.848101
253 D4F 0.504348 0.839506
254 KAA 0.5 0.752809
255 GSU 0.5 0.77907
256 71V 0.5 0.907895
257 7D7 0.5 0.743243
258 A3G 0.5 0.8
259 128 0.5 0.776471
260 NDC 0.5 0.871795
261 N0B 0.495726 0.819277
262 NJP 0.495495 0.945946
263 ODP 0.495495 0.909091
264 K3K 0.49505 0.802632
265 2SA 0.494624 0.932432
266 6C6 0.494505 0.881579
267 SFG 0.494382 0.75
268 0WD 0.491071 0.921053
269 LQJ 0.490196 0.917808
270 B1U 0.490196 0.736264
271 YSA 0.490196 0.77907
272 PO4 PO4 A A A A PO4 0.489796 0.902778
273 SAM 0.48913 0.690476
274 6IA 0.48913 0.8375
275 A7D 0.488636 0.776316
276 6FA 0.488 0.841463
277 FB0 0.487805 0.804598
278 NAJ PYZ 0.487179 0.807229
279 J4G 0.484848 0.92
280 A5D 0.483516 0.786667
281 IDP 0.483516 0.918919
282 SA8 0.483516 0.707317
283 PGS 0.483146 0.883117
284 MHZ 0.483146 0.697674
285 DA 0.482353 0.878378
286 NEC 0.482353 0.746667
287 D5M 0.482353 0.878378
288 NIA 0.481928 0.822785
289 Y3J 0.480519 0.726027
290 8PZ 0.480392 0.8
291 FAD 0.480315 0.851852
292 FAS 0.480315 0.851852
293 FDA 0.48 0.833333
294 N6P 0.479592 0.915493
295 GGZ 0.479167 0.825
296 SAI 0.478261 0.734177
297 SAH 0.478261 0.74359
298 NPW 0.477477 0.886076
299 NDP 0.477477 0.921053
300 AAM 0.476744 0.971429
301 AMZ 0.47561 0.916667
302 C2R 0.47561 0.90411
303 SMM 0.473684 0.686047
304 GTP 0.473684 0.92
305 NZQ 0.473214 0.909091
306 TXP 0.473214 0.921053
307 A3S 0.47191 0.810811
308 K3E 0.471154 0.792208
309 NWQ 0.46988 0.739726
310 SFD 0.46875 0.734043
311 AIR 0.468354 0.901408
312 AAT 0.468085 0.707317
313 EEM 0.468085 0.690476
314 7C5 0.466667 0.818182
315 Z5A 0.466667 0.77907
316 J7V 0.466667 0.833333
317 62F 0.465649 0.8625
318 N5O 0.465116 0.763158
319 HDV 0.463158 0.893333
320 KOY 0.462963 0.802632
321 FAY 0.462121 0.8625
322 DCA 0.461538 0.823529
323 A3T 0.461538 0.821918
324 ETB 0.461538 0.833333
325 A6D 0.46 0.722892
326 6K6 0.459184 0.930556
327 QXP 0.459184 0.785714
328 GEK 0.459184 0.7375
329 RFL 0.458647 0.821429
330 S7M 0.458333 0.690476
331 V47 0.458333 0.783784
332 NAP 0.458333 0.945205
333 4YB 0.457944 0.761364
334 CZF 0.457447 0.931507
335 TAP 0.454545 0.907895
336 N5A 0.454545 0.736842
337 FNK 0.454545 0.804598
338 WSA 0.454545 0.788235
339 COA 0.453782 0.823529
340 0T1 0.453782 0.823529
341 101 0.453488 0.878378
342 QBQ 0.452632 0.906667
343 DZ4 0.452632 0.881579
344 XNP 0.452174 0.873418
345 K2R 0.45098 0.88
346 NA0 0.45082 0.932432
347 7RP 0.448276 0.928571
348 K2W 0.447619 0.740741
349 GP3 0.446809 0.921053
350 TM1 0.446602 0.77381
351 APU 0.446429 0.894737
352 KL2 0.445783 0.837838
353 QXG 0.445545 0.776471
354 PUA 0.445378 0.884615
355 V1N 0.443396 0.917808
356 7RA 0.443182 0.957747
357 CAO 0.442623 0.795455
358 30N 0.442623 0.752688
359 COS 0.442623 0.804598
360 AMX 0.442623 0.833333
361 K38 0.442308 0.779221
362 QQY 0.44186 0.815789
363 ACK 0.44186 0.861111
364 649 0.441441 0.744444
365 R2V 0.441176 0.785714
366 0UM 0.44 0.698795
367 NHD 0.439655 0.905405
368 SCO 0.439024 0.823529
369 CMX 0.439024 0.823529
370 GCP 0.438776 0.896104
371 8BR 0.438202 0.906667
372 GNH 0.4375 0.907895
373 3AD 0.4375 0.805556
374 8Q2 0.4375 0.772727
375 O05 0.436893 0.843373
376 NVA 2AD 0.43617 0.759494
377 62X 0.435644 0.666667
378 K2H 0.435644 0.75641
379 ACO 0.435484 0.795455
380 FAM 0.435484 0.804598
381 FCX 0.435484 0.795455
382 9JJ 0.434783 0.8625
383 KY2 0.434343 0.731707
384 9GM 0.434343 0.896104
385 GNP 0.434343 0.896104
386 K3H 0.433962 0.75
387 NMX 0.433071 0.76087
388 MGP 0.43299 0.884615
389 26A 0.432099 0.763158
390 HAX 0.432 0.804598
391 K15 0.431373 0.682353
392 9BG 0.431034 0.896104
393 DG1 0.430894 0.921053
394 1DG 0.430894 0.921053
395 QQX 0.430233 0.805195
396 2VA 0.430108 0.8
397 S8M 0.43 0.759494
398 2MC 0.429688 0.769231
399 PLP AAD 0.428571 0.733333
400 6G0 0.428571 0.884615
401 3KK 0.428571 0.804598
402 P5F 0.428571 0.823529
403 NAD BBN 0.428571 0.841463
404 FYN 0.428571 0.823529
405 KGA 0.427481 0.744681
406 7L1 0.427419 0.795455
407 K2K 0.427184 0.7375
408 NX8 0.427083 0.716049
409 RMB 0.426966 0.873239
410 AS 0.426966 0.833333
411 FAI 0.426966 0.916667
412 KGJ 0.426357 0.752688
413 KYB 0.425743 0.731707
414 1RB 0.425287 0.885714
415 KGP 0.425197 0.729167
416 OXK 0.425197 0.804598
417 COK 0.425197 0.804598
418 SOP 0.425197 0.804598
419 MCD 0.425197 0.804598
420 CA6 0.425197 0.729167
421 YZS 0.425197 0.729167
422 G1R 0.424242 0.907895
423 CC5 0.423077 0.816901
424 SXZ 0.423077 0.710843
425 F2N 0.422535 0.813953
426 NAD CJ3 0.422222 0.811765
427 EO7 0.422222 0.788235
428 ANZ 0.422018 0.8
429 CMC 0.421875 0.804598
430 CO6 0.421875 0.804598
431 1VU 0.421875 0.795455
432 ZDA 0.421053 0.864865
433 GKE 0.420561 0.884615
434 GDC 0.420561 0.884615
435 GDD 0.420561 0.884615
436 NFD 0.420168 0.883117
437 GSP 0.42 0.873418
438 D3Y 0.42 0.789474
439 MC4 0.419847 0.76087
440 3D1 0.419753 0.773333
441 3L1 0.419753 0.773333
442 FA9 0.41958 0.864198
443 G 0.419355 0.906667
444 5GP 0.419355 0.906667
445 KB1 0.419048 0.698795
446 KY5 0.419048 0.725
447 SCD 0.418605 0.823529
448 CAJ 0.418605 0.804598
449 2BA 0.417582 0.915493
450 CMP 0.417582 0.901408
451 SO8 0.416667 0.789474
452 VRT 0.416667 0.769231
453 KFV 0.416667 0.736842
454 N01 0.416667 0.905405
455 1HE 0.415385 0.786517
456 3HC 0.415385 0.813953
457 BCO 0.415385 0.804598
458 MLC 0.415385 0.804598
459 IVC 0.415385 0.813953
460 A1S 0.415385 0.804598
461 NMN AMP PO4 0.415254 0.87013
462 2FA 0.414634 0.813333
463 MGO 0.414141 0.860759
464 FAJ 0.413793 0.831325
465 3NZ 0.413462 0.782051
466 KY8 0.413462 0.728395
467 Q34 0.412281 0.674419
468 LCV 0.412214 0.721649
469 COO 0.412214 0.804598
470 MCA 0.412214 0.795455
471 CAA 0.412214 0.813953
472 SO5 0.412214 0.721649
473 YE1 0.412214 0.813953
474 GAV 0.411765 0.884615
475 PRT 0.411215 0.931507
476 JLN 0.411111 0.890411
477 P2P 0.411111 0.902778
478 OZP 0.410714 0.728395
479 NWZ 0.410526 0.703704
480 ZZB 0.410256 0.77381
481 CNV FAD 0.410072 0.793103
482 YXR 0.409091 0.729167
483 2CP 0.409091 0.795455
484 YXS 0.409091 0.729167
485 SCA 0.409091 0.804598
486 SP1 0.409091 0.842105
487 RP1 0.409091 0.842105
488 103 0.409091 0.837838
489 PAX 0.408 0.829268
490 KYE 0.407407 0.714286
491 FAD NBT 0.407143 0.75
492 BYC 0.406015 0.804598
493 1GZ 0.406015 0.795455
494 IRC 0.406015 0.813953
495 CA8 0.406015 0.729167
496 3CP 0.406015 0.804598
497 COW 0.406015 0.795455
498 HGG 0.406015 0.804598
499 COF 0.406015 0.786517
500 2KQ 0.406015 0.786517
501 G2P 0.405941 0.884615
502 KXW 0.405405 0.707317
503 SLU 0.404959 0.770115
504 RBZ 0.404494 0.849315
505 1CZ 0.404412 0.795455
506 Q2P 0.403361 0.674419
507 COA FLC 0.403226 0.790698
508 FAQ 0.402985 0.804598
509 BCA 0.402985 0.795455
510 4CA 0.402985 0.795455
511 MTP 0.402439 0.730769
512 8OD 0.402062 0.945205
513 HZ2 0.401786 0.731707
514 CO7 0.401515 0.804598
515 ENQ 0.4 0.916667
516 GMV 0.4 0.896104
517 HXC 0.4 0.786517
518 G2R 0.4 0.884615
519 GRA 0.4 0.804598
520 HF7 0.4 0.893333
Ligand no: 2; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Similar Ligands (3D)
Ligand no: 1; Ligand: ADP; Similar ligands found: 65
No: Ligand Similarity coefficient
1 BMQ 1.0000
2 ADP ALF 0.9881
3 ADP AF3 0.9881
4 ADP VO4 0.9881
5 DGI 0.9763
6 GDP MG 0.9684
7 GDP BEF 0.9644
8 ALF GDP 0.9644
9 GDP ALF 0.9644
10 BEF GDP 0.9610
11 GDP AF3 0.9610
12 NYZ 0.9560
13 M7G 0.9527
14 GP2 0.9485
15 UDP 0.9410
16 G8D 0.9364
17 TYD 0.9340
18 CDP 0.9333
19 GCQ 0.9290
20 8GD 0.9252
21 CDP MG 0.9246
22 DUD 0.9233
23 YYY 0.9230
24 D4D 0.9127
25 KB7 0.9099
26 DUN 0.9081
27 TBD 0.9046
28 IMP 0.9020
29 IRP 0.8992
30 MGT 0.8986
31 FMP 0.8980
32 UDP UDP 0.8979
33 G3D 0.8938
34 UC5 0.8921
35 ALF 5GP 0.8902
36 7XL 0.8868
37 GTP MG 0.8843
38 XMP 0.8838
39 IMU 0.8829
40 MOD 0.8822
41 C8M 0.8795
42 A8M 0.8784
43 8OP 0.8777
44 DG 0.8750
45 DGP 0.8750
46 MSP 0.8735
47 G7M 0.8734
48 6MA 0.8734
49 6CG 0.8732
50 PFU 0.8701
51 FZT 0.8697
52 DBG 0.8693
53 DGT 0.8685
54 FZQ 0.8683
55 MZP 0.8680
56 93A 0.8679
57 S3N 0.8673
58 0RC 0.8661
59 TKW 0.8651
60 5FU 0.8637
61 FNU 0.8616
62 FZK 0.8607
63 UTP 0.8603
64 UP6 0.8572
65 NMN 0.8537
Ligand no: 2; Ligand: CIT; Similar ligands found: 1030
No: Ligand Similarity coefficient
1 FLC 1.0000
2 PEP 1.0000
3 NTC 0.9827
4 7A2 0.9729
5 7A3 0.9710
6 TRC 0.9632
7 ICT 0.9604
8 NCD 0.9568
9 1AL 0.9557
10 TRA 0.9465
11 GLY LEU 0.9431
12 ENL 0.9421
13 P4B 0.9413
14 EKN 0.9407
15 AN0 0.9405
16 4TE 0.9372
17 NFQ 0.9367
18 GLY ASP 0.9365
19 ATH 0.9359
20 3S4 0.9303
21 0FA 0.9302
22 HCT 0.9298
23 GBN 0.9289
24 NLQ 0.9287
25 NQM 0.9280
26 XQB 0.9278
27 CAX 0.9276
28 NLG 0.9268
29 JKZ 0.9254
30 AKH 0.9252
31 MIC 0.9251
32 AOR 0.9244
33 5UK 0.9243
34 AVI 0.9237
35 5XB 0.9229
36 IPM 0.9222
37 5XR 0.9215
38 CCB 0.9212
39 PHT 0.9208
40 GJS 0.9195
41 IJZ 0.9193
42 Q6T 0.9189
43 AVJ 0.9180
44 VPR 0.9176
45 C5A 0.9170
46 OTD 0.9170
47 GM7 0.9167
48 87L 0.9166
49 2CG 0.9164
50 KAI 0.9162
51 449 0.9160
52 DII 0.9156
53 FOT 0.9156
54 256 0.9150
55 FBG 0.9150
56 J01 0.9145
57 HMQ 0.9139
58 NIG 0.9130
59 TEN 0.9130
60 NTM 0.9127
61 R9S 0.9118
62 H6B 0.9116
63 CDV 0.9112
64 PRZ 0.9112
65 8WQ 0.9110
66 2AL 0.9109
67 40F 0.9109
68 42C 0.9107
69 791 0.9106
70 HLD 0.9105
71 0GZ 0.9105
72 HJP 0.9105
73 AME 0.9104
74 0F9 0.9103
75 OIA 0.9103
76 V6F 0.9103
77 ONR 0.9101
78 ALA LEU 0.9100
79 OMD 0.9100
80 HQ9 0.9100
81 DMO 0.9096
82 CDT 0.9095
83 KTA 0.9095
84 BRR 0.9092
85 GLY PRO 0.9092
86 6CS 0.9084
87 5WY 0.9084
88 R1P 0.9081
89 MEV 0.9081
90 DG2 0.9079
91 KDF 0.9079
92 PDC 0.9079
93 M44 0.9078
94 GZ8 0.9077
95 41K 0.9076
96 ORO 0.9068
97 AIN 0.9067
98 FX1 0.9066
99 8G0 0.9065
100 SIF 0.9064
101 T2D 0.9062
102 6LW 0.9060
103 AVO 0.9059
104 5HY 0.9059
105 HJ7 0.9058
106 FF3 0.9058
107 QAS 0.9057
108 IPZ 0.9056
109 PD2 0.9055
110 PCV 0.9054
111 DOR 0.9054
112 34D 0.9052
113 4ME 0.9049
114 YQA 0.9047
115 L14 0.9045
116 G88 0.9045
117 9SE 0.9045
118 FRU 0.9044
119 GTQ 0.9042
120 C2U 0.9041
121 OAF 0.9040
122 6XI 0.9040
123 DNC 0.9040
124 DNF 0.9040
125 6NI 0.9034
126 4WK 0.9033
127 D1X 0.9032
128 0OC 0.9028
129 SF6 0.9027
130 ZZ8 0.9027
131 QAT 0.9026
132 QIC 0.9023
133 091 0.9023
134 8VN 0.9020
135 FA6 0.9020
136 5CU 0.9017
137 2ZM 0.9017
138 97T 0.9016
139 9PY 0.9016
140 1U1 0.9014
141 6NT 0.9014
142 J9Q 0.9013
143 TSA 0.9012
144 AH8 0.9008
145 ET2 0.9008
146 ANN 0.9008
147 5OB 0.9006
148 KJM 0.9005
149 GCU 0.9005
150 0HO 0.9004
151 1F1 0.9004
152 6R8 0.9002
153 2PG 0.9001
154 S2T 0.9000
155 KLW 0.8998
156 2FT 0.8997
157 BZ3 0.8997
158 N8P 0.8996
159 SHA 0.8995
160 GV9 0.8994
161 40H 0.8992
162 N7P 0.8991
163 GAF 0.8990
164 FUD 0.8989
165 5NU 0.8988
166 3NY 0.8988
167 G01 0.8987
168 LSA 0.8987
169 K2P 0.8986
170 FA3 0.8986
171 54G 0.8986
172 2HU 0.8984
173 2ZQ 0.8984
174 3AL 0.8984
175 FA1 0.8984
176 5NI 0.8983
177 KJU 0.8980
178 XX3 0.8979
179 DOB 0.8978
180 QPR 0.8978
181 GLY MET 0.8978
182 PRE 0.8977
183 4M0 0.8976
184 RAT 0.8975
185 0HN 0.8975
186 Z5P 0.8971
187 0GY 0.8971
188 FA0 0.8971
189 PNZ 0.8971
190 3A9 0.8970
191 F12 0.8970
192 OW7 0.8969
193 5FN 0.8968
194 ICO 0.8968
195 KDG 0.8966
196 DIG 0.8965
197 E5X 0.8965
198 JAW 0.8964
199 RD4 0.8964
200 GNL 0.8963
201 NSG 0.8963
202 OXC 0.8963
203 3MF 0.8962
204 60Q 0.8962
205 AQK 0.8960
206 BHA 0.8960
207 SSC 0.8959
208 ADA 0.8959
209 OEM 0.8958
210 XSP 0.8957
211 3MB 0.8957
212 7WR 0.8956
213 ES2 0.8955
214 NVU 0.8954
215 KBB 0.8954
216 QM1 0.8953
217 APG 0.8953
218 2LY 0.8952
219 5RG 0.8950
220 BGT 0.8950
221 XYH 0.8949
222 1PL 0.8947
223 8GK 0.8947
224 OVM 0.8946
225 B2Y 0.8946
226 ABI 0.8944
227 CLW 0.8944
228 URC 0.8944
229 5ZZ 0.8942
230 SF9 0.8941
231 2MN 0.8937
232 7UC 0.8936
233 9TZ 0.8936
234 AMH 0.8935
235 210 0.8935
236 TSR 0.8935
237 4P5 0.8934
238 ODO 0.8934
239 GCV 0.8933
240 VGD 0.8932
241 15N 0.8931
242 SOE 0.8928
243 2BX 0.8927
244 3S6 0.8926
245 GIO 0.8926
246 15L 0.8925
247 NDG 0.8923
248 VNL 0.8923
249 IPB 0.8923
250 PSV 0.8921
251 SDD 0.8919
252 1CO 0.8919
253 G5V 0.8919
254 8WO 0.8919
255 GTR 0.8918
256 OW4 0.8918
257 LFC 0.8917
258 N2I 0.8917
259 QBK 0.8917
260 N2Z 0.8916
261 52C 0.8916
262 5M0 0.8916
263 45L 0.8916
264 CWJ 0.8915
265 7ZE 0.8915
266 JB8 0.8914
267 SKM 0.8913
268 I3A 0.8913
269 NCT 0.8912
270 DQA 0.8910
271 SR4 0.8909
272 SC2 0.8908
273 HA7 0.8908
274 5XC 0.8907
275 LFR 0.8907
276 MMA 0.8907
277 HNQ 0.8907
278 069 0.8905
279 X1E 0.8904
280 7NI 0.8904
281 9FL 0.8904
282 RNS 0.8904
283 TIU 0.8904
284 5MK 0.8903
285 II6 0.8902
286 X09 0.8900
287 NGO 0.8899
288 5GU 0.8897
289 M75 0.8897
290 H62 0.8896
291 2M5 0.8896
292 9KH 0.8896
293 REL 0.8895
294 JDN 0.8894
295 GZQ 0.8894
296 LAO 0.8893
297 E7Z 0.8892
298 4CS 0.8892
299 GTC 0.8891
300 5RN 0.8891
301 AI2 0.8890
302 6JN 0.8889
303 GTL 0.8889
304 IAC 0.8889
305 LT8 0.8888
306 9CA 0.8888
307 AMG 0.8888
308 SOL 0.8887
309 A13 0.8887
310 IFL 0.8887
311 BDF 0.8885
312 1P8 0.8885
313 DHK 0.8885
314 HDH 0.8885
315 PFL 0.8884
316 ALA PRO 0.8882
317 AS3 0.8881
318 36R 0.8879
319 AOS 0.8879
320 B0D 0.8879
321 KMH 0.8878
322 QUS 0.8876
323 AFR 0.8875
324 H42 0.8875
325 PPK 0.8875
326 VXX 0.8875
327 PEZ 0.8874
328 M5N 0.8872
329 OHP 0.8870
330 MS9 0.8869
331 GIV 0.8869
332 03V 0.8868
333 A29 0.8868
334 JJQ 0.8867
335 MNM 0.8867
336 4FS 0.8866
337 NGT 0.8866
338 F31 0.8866
339 KDO 0.8866
340 DEW 0.8865
341 0JD 0.8864
342 4VY 0.8863
343 94W 0.8862
344 92K 0.8862
345 DBX 0.8862
346 8XQ 0.8860
347 1IT 0.8859
348 EV0 0.8859
349 3PO 0.8858
350 F9Y 0.8857
351 M74 0.8857
352 TAG 0.8855
353 4WL 0.8855
354 DCO 0.8855
355 GCO 0.8855
356 7VS 0.8855
357 M1E 0.8855
358 GC2 0.8854
359 COU 0.8854
360 NGW 0.8854
361 92P 0.8854
362 JA8 0.8854
363 C2Y 0.8853
364 6TZ 0.8853
365 BDP 0.8853
366 HA5 0.8852
367 G4D 0.8852
368 B09 0.8852
369 J9T 0.8851
370 GLA 0.8851
371 ES5 0.8850
372 5JQ 0.8850
373 GIF 0.8850
374 RNT 0.8849
375 CS2 0.8849
376 5DI 0.8848
377 SYV 0.8848
378 8VE 0.8848
379 8GL 0.8847
380 KDV 0.8847
381 293 0.8847
382 BZ2 0.8847
383 KFH 0.8847
384 8TX 0.8846
385 HDL 0.8845
386 L5V 0.8845
387 SXS 0.8845
388 IOS 0.8845
389 8ZE 0.8845
390 0CG 0.8844
391 JR2 0.8844
392 MQB 0.8843
393 787 0.8843
394 2FY 0.8842
395 1U5 0.8842
396 FBB 0.8841
397 HIS 0.8840
398 NAG 0.8839
399 NZ3 0.8839
400 JB5 0.8839
401 ASC 0.8838
402 2HG 0.8838
403 2AQ 0.8837
404 2C0 0.8837
405 CBF 0.8837
406 BK9 0.8836
407 FIX 0.8834
408 3IT 0.8834
409 GLO 0.8833
410 3R9 0.8833
411 M0W 0.8833
412 1N4 0.8832
413 TSS 0.8830
414 M4E 0.8830
415 PSJ 0.8829
416 GAL 0.8829
417 3CR 0.8828
418 4ZA 0.8828
419 27L 0.8828
420 M0Q 0.8828
421 YIO 0.8828
422 MR1 0.8827
423 6FZ 0.8827
424 1X7 0.8827
425 FOC 0.8826
426 MUC 0.8826
427 3BU 0.8825
428 BCU 0.8825
429 DZA 0.8825
430 AUD 0.8825
431 GOG 0.8825
432 2TQ 0.8825
433 61O 0.8823
434 LMR 0.8823
435 2ED 0.8822
436 DIU 0.8822
437 51R 0.8822
438 DBH 0.8821
439 8S0 0.8821
440 4HC 0.8821
441 M72 0.8820
442 2C2 0.8820
443 MLE 0.8819
444 5VM 0.8819
445 SX1 0.8819
446 MTL 0.8818
447 OCH 0.8818
448 43W 0.8818
449 KYA 0.8818
450 FHN 0.8817
451 EUG 0.8817
452 4Z4 0.8817
453 F0J 0.8817
454 O2A 0.8816
455 3HA 0.8816
456 TVP 0.8816
457 TLA 0.8816
458 39U 0.8816
459 3F0 0.8815
460 M2K 0.8814
461 56D 0.8814
462 GYE 0.8813
463 SOR 0.8813
464 152 0.8813
465 3HG 0.8812
466 S76 0.8812
467 FE DB1 0.8811
468 XXP 0.8810
469 4P0 0.8810
470 BMA 0.8810
471 EYK 0.8809
472 GCB 0.8809
473 XAZ 0.8808
474 GDE 0.8807
475 4A5 0.8806
476 HBU 0.8805
477 2GS 0.8805
478 GLR 0.8804
479 M5E 0.8804
480 FBV 0.8804
481 BTY 0.8803
482 GUN 0.8803
483 TPO 0.8803
484 DHS 0.8802
485 1SV 0.8802
486 CSN 0.8802
487 FUC 0.8802
488 ESP 0.8802
489 4BZ 0.8802
490 2F6 0.8801
491 CKX 0.8801
492 GLG 0.8800
493 3MA 0.8800
494 XAN 0.8800
495 3OC 0.8800
496 463 0.8799
497 AGK 0.8799
498 GLF 0.8799
499 K2T 0.8798
500 4HM 0.8798
501 LPK 0.8797
502 0RN 0.8797
503 4NG 0.8797
504 R20 0.8796
505 3MG 0.8796
506 SN4 0.8795
507 BCK 0.8795
508 4NB 0.8795
509 EVA 0.8795
510 EA1 0.8793
511 9RH 0.8792
512 MVL 0.8792
513 V55 0.8792
514 MBG 0.8792
515 AHD 0.8791
516 IUP 0.8791
517 9DG 0.8791
518 4NM 0.8790
519 0LH 0.8790
520 G1P 0.8790
521 7Y3 0.8790
522 J9W 0.8789
523 ISD 0.8788
524 R8S 0.8788
525 7D2 0.8788
526 NHC 0.8788
527 2O6 0.8788
528 3R6 0.8787
529 7N0 0.8785
530 6DP 0.8785
531 263 0.8785
532 2A7 0.8785
533 UEG 0.8785
534 OVV 0.8785
535 42A 0.8784
536 YSO 0.8784
537 ZXD 0.8783
538 SVD 0.8783
539 717 0.8783
540 12T 0.8783
541 X1R 0.8782
542 MNP 0.8782
543 5RP 0.8782
544 AKG 0.8782
545 SYG 0.8782
546 23J 0.8780
547 8EW 0.8779
548 NZ2 0.8779
549 RNO 0.8779
550 HXX 0.8777
551 4JT 0.8776
552 RSM 0.8776
553 329 0.8776
554 BZX 0.8775
555 RB0 0.8774
556 1FF 0.8774
557 GLC 0.8774
558 ROR 0.8774
559 75K 0.8773
560 Q71 0.8773
561 SJ5 0.8773
562 149 0.8772
563 3HP 0.8772
564 BPN 0.8772
565 AQQ 0.8771
566 FYU 0.8771
567 IT9 0.8770
568 BGC 0.8770
569 4PN 0.8769
570 HHT 0.8768
571 UNC 0.8768
572 DZX 0.8767
573 2LP 0.8767
574 6KT 0.8765
575 NDH 0.8765
576 XIY 0.8765
577 7MU 0.8765
578 MAJ 0.8764
579 P22 0.8764
580 LQ2 0.8764
581 B55 0.8763
582 KIB 0.8762
583 LNR 0.8761
584 PHY 0.8761
585 DGJ 0.8760
586 212 0.8760
587 HQJ 0.8759
588 FPK 0.8759
589 FH2 0.8759
590 ESX 0.8759
591 UAN 0.8759
592 8H8 0.8758
593 EJZ 0.8757
594 FCR 0.8757
595 GZL 0.8756
596 ICB 0.8756
597 4AA 0.8756
598 K2Q 0.8756
599 2FG 0.8755
600 GAB 0.8755
601 SRT 0.8755
602 CTL 0.8754
603 GVM 0.8754
604 Q7A 0.8754
605 LDP 0.8753
606 G3F 0.8753
607 VOH 0.8753
608 XUL 0.8752
609 F4E 0.8752
610 7HQ 0.8752
611 LZM 0.8751
612 M3S 0.8751
613 0UT 0.8751
614 IFG 0.8750
615 BFM 0.8749
616 4JQ 0.8748
617 2K4 0.8747
618 AW5 0.8747
619 X1P 0.8747
620 3HB 0.8747
621 2H5 0.8746
622 3C7 0.8746
623 M3Q 0.8746
624 ISZ 0.8746
625 DA4 0.8745
626 RES 0.8745
627 ASO 0.8744
628 6VD 0.8744
629 DHB 0.8743
630 ZON 0.8743
631 SNO 0.8743
632 GXL 0.8742
633 PQK 0.8742
634 428 0.8742
635 SLC 0.8742
636 FXH 0.8742
637 5RO 0.8742
638 3V4 0.8741
639 1Z8 0.8741
640 PHB 0.8740
641 ZOL 0.8739
642 NOY 0.8739
643 TAR 0.8739
644 ASF 0.8739
645 9MG 0.8739
646 20J 0.8738
647 AZ8 0.8736
648 DAL DAL 0.8736
649 OVP 0.8736
650 G8M 0.8736
651 259 0.8735
652 5MI 0.8735
653 6RQ 0.8734
654 QDK 0.8734
655 X8Z 0.8734
656 BZS 0.8734
657 RIB 0.8734
658 FP1 0.8733
659 2AS 0.8733
660 MFU 0.8732
661 NID 0.8730
662 SER PRO 0.8729
663 3PG 0.8729
664 SRO 0.8729
665 5H1 0.8728
666 1P3 0.8728
667 LGC 0.8728
668 XEN 0.8728
669 8EZ 0.8728
670 67Y 0.8727
671 EMZ 0.8727
672 4I8 0.8726
673 1M2 0.8726
674 INE 0.8726
675 3NT 0.8726
676 4RW 0.8725
677 14O 0.8725
678 GTZ 0.8725
679 HLZ 0.8724
680 DIE 0.8724
681 OA3 0.8724
682 289 0.8723
683 PAB 0.8723
684 ARW 0.8722
685 FBU 0.8722
686 PZI 0.8721
687 4TU 0.8721
688 PEY 0.8720
689 512 0.8720
690 JV4 0.8720
691 A2G 0.8720
692 MAN 0.8720
693 3AB 0.8720
694 GLU 0.8720
695 AC6 0.8719
696 XH2 0.8719
697 5QY 0.8719
698 9FE 0.8718
699 PA1 0.8718
700 DBJ 0.8718
701 DHI 0.8718
702 J6W 0.8718
703 6AI 0.8717
704 DHY 0.8717
705 K97 0.8717
706 BPS 0.8716
707 46P 0.8714
708 GLY CYS 0.8713
709 4FA 0.8713
710 1WC 0.8712
711 7Q1 0.8712
712 2BG 0.8712
713 8XL 0.8711
714 XXG 0.8711
715 4AV 0.8711
716 APZ 0.8711
717 SLS 0.8710
718 2DR 0.8710
719 HYA 0.8710
720 C4L 0.8709
721 INO 0.8709
722 F34 0.8708
723 QY9 0.8707
724 A9O 0.8707
725 NOJ 0.8707
726 1GN 0.8706
727 DMJ 0.8705
728 9ZE 0.8705
729 2CZ 0.8705
730 NGA 0.8705
731 AHB 0.8704
732 DPF 0.8704
733 M1Q 0.8703
734 MJ2 0.8703
735 X6X 0.8702
736 MHK 0.8702
737 IV2 0.8701
738 HMU 0.8700
739 5LA 0.8699
740 SR1 0.8699
741 I1E 0.8699
742 GOX 0.8697
743 QMS 0.8697
744 OTR 0.8697
745 BHO 0.8697
746 NPO 0.8697
747 261 0.8697
748 MQN 0.8696
749 AJ2 0.8695
750 PE0 0.8695
751 NMJ 0.8695
752 HMH 0.8695
753 TT4 0.8694
754 JRB 0.8693
755 FEH 0.8693
756 IP0 0.8693
757 GT0 0.8692
758 E1P 0.8691
759 RM1 0.8691
760 0W8 0.8691
761 GJP 0.8690
762 Q88 0.8690
763 RIM 0.8689
764 XQK 0.8689
765 4ZC 0.8689
766 CN0 0.8689
767 5WX 0.8689
768 7FF 0.8689
769 H7Y 0.8688
770 M4S 0.8686
771 NLA 0.8686
772 SAL 0.8686
773 NIZ 0.8686
774 3PF 0.8686
775 7A8 0.8686
776 A09 0.8686
777 Q24 0.8685
778 4YO 0.8685
779 3DM 0.8683
780 GYP 0.8683
781 SEP 0.8683
782 53C 0.8683
783 ASP 0.8683
784 EHM 0.8682
785 D48 0.8682
786 IF7 0.8682
787 DYT 0.8681
788 DS0 0.8680
789 E4P 0.8680
790 3U4 0.8680
791 K6H 0.8679
792 12M 0.8679
793 MCO 0.8679
794 B2J 0.8679
795 KOJ 0.8679
796 CKU 0.8678
797 BEU 0.8678
798 P9P 0.8678
799 MEW 0.8677
800 MO8 0.8677
801 SAN 0.8677
802 TGX 0.8676
803 SNE 0.8676
804 4BY 0.8675
805 T9G 0.8675
806 MB1 0.8674
807 8OZ 0.8672
808 GF1 0.8671
809 7ME 0.8670
810 9RW 0.8670
811 2SX 0.8669
812 QX4 0.8668
813 XYL 0.8667
814 PRY 0.8667
815 5QX 0.8667
816 1LN 0.8666
817 ZZ3 0.8666
818 4XV 0.8665
819 AL0 0.8665
820 MWP 0.8664
821 BE2 0.8664
822 IFP 0.8664
823 4RU 0.8663
824 X0V 0.8663
825 NSP 0.8662
826 GDL 0.8661
827 4MA 0.8661
828 RBL 0.8661
829 4BL 0.8660
830 HBD 0.8659
831 RMN 0.8658
832 5MB 0.8657
833 PZM 0.8657
834 AX3 0.8657
835 24B 0.8657
836 LTM 0.8657
837 G2F 0.8657
838 SHG 0.8656
839 PAF 0.8655
840 HHI 0.8655
841 NOK 0.8655
842 AHR 0.8655
843 EDR 0.8654
844 4PW 0.8653
845 LRH 0.8651
846 3SK 0.8651
847 4FH 0.8651
848 M1H 0.8650
849 SKJ 0.8650
850 SD4 0.8650
851 4NC 0.8649
852 NTZ 0.8649
853 ECG 0.8649
854 FUL 0.8649
855 CHB 0.8648
856 BM3 0.8648
857 MA3 0.8647
858 EOL 0.8647
859 PBZ 0.8647
860 OGA 0.8647
861 ZB1 0.8646
862 M1P 0.8646
863 49N 0.8645
864 JWB 0.8644
865 CAM 0.8644
866 BSX 0.8643
867 NHG 0.8643
868 790 0.8643
869 173 0.8643
870 94B 0.8641
871 D07 0.8641
872 GCS 0.8641
873 EU7 0.8640
874 6J9 0.8640
875 57O 0.8640
876 67X 0.8640
877 XCZ 0.8639
878 DJN 0.8638
879 SMN 0.8638
880 TNX 0.8638
881 7MK 0.8638
882 WOO 0.8638
883 KBG 0.8637
884 XLS 0.8637
885 KIA 0.8637
886 ZZT 0.8637
887 P72 0.8636
888 BZJ 0.8636
889 IOP 0.8635
890 YRL 0.8635
891 K5W 0.8634
892 N3W 0.8633
893 ISJ 0.8633
894 3FH 0.8633
895 2D3 0.8631
896 TQU 0.8631
897 S24 0.8627
898 EKZ 0.8627
899 GLL 0.8627
900 1Y6 0.8626
901 3C4 0.8626
902 PJL 0.8626
903 ONL 0.8626
904 GRO 0.8624
905 DQU 0.8623
906 8GC 0.8623
907 3BZ 0.8623
908 HBA 0.8623
909 FBW 0.8622
910 HC4 0.8622
911 93K 0.8621
912 36E 0.8621
913 JZ4 0.8621
914 M4T 0.8620
915 GJZ 0.8619
916 PXL 0.8617
917 8SZ 0.8617
918 9R5 0.8616
919 6M4 0.8616
920 E7S 0.8615
921 SBK 0.8613
922 TRP 0.8613
923 VNJ 0.8613
924 7MX 0.8612
925 2HO 0.8610
926 8WT 0.8610
927 S7J 0.8609
928 EN1 0.8606
929 LR5 0.8606
930 AOZ 0.8606
931 NBG 0.8606
932 HHA 0.8606
933 MYJ 0.8605
934 9TW 0.8605
935 B57 0.8605
936 NBB 0.8604
937 SWA 0.8603
938 AHN 0.8601
939 S3P 0.8601
940 QSB 0.8600
941 PXM 0.8600
942 GLN 0.8600
943 ICF 0.8599
944 LCN 0.8598
945 MZT 0.8598
946 BBK 0.8598
947 HQD 0.8597
948 GOJ 0.8596
949 7QS 0.8596
950 CAH 0.8596
951 LT3 0.8596
952 B5D 0.8595
953 TYL 0.8594
954 OSE 0.8593
955 AOT 0.8593
956 ALL 0.8591
957 TLM 0.8590
958 F52 0.8590
959 0FK 0.8589
960 AEF 0.8588
961 FBF 0.8588
962 UNJ 0.8587
963 3DO 0.8586
964 JF4 0.8586
965 4XS 0.8585
966 IHB 0.8584
967 Z82 0.8584
968 AEH 0.8583
969 VK3 0.8583
970 RM4 0.8581
971 MFB 0.8580
972 GIM 0.8578
973 7I2 0.8578
974 ZGL 0.8578
975 TSU 0.8577
976 L13 0.8576
977 WCE 0.8575
978 EXD 0.8575
979 JND 0.8574
980 7WG 0.8572
981 PAC 0.8572
982 YZM 0.8571
983 S0E 0.8570
984 3ZB 0.8570
985 CNL 0.8569
986 JKE 0.8569
987 INF 0.8569
988 B62 0.8568
989 Q07 0.8568
990 CFA 0.8567
991 CTS 0.8564
992 3C2 0.8564
993 Z13 0.8563
994 2EH 0.8562
995 TL6 0.8562
996 DTR 0.8562
997 4VP 0.8562
998 1WD 0.8561
999 ABV 0.8558
1000 4JC 0.8557
1001 JF6 0.8557
1002 4HP 0.8556
1003 LYL 0.8555
1004 6UA 0.8553
1005 3XR 0.8552
1006 2EC 0.8552
1007 FDR 0.8551
1008 PJW 0.8550
1009 RBJ 0.8549
1010 DFU 0.8548
1011 TNF 0.8547
1012 JTH 0.8543
1013 3XX 0.8543
1014 E35 0.8541
1015 AAN 0.8539
1016 44V 0.8538
1017 G3P 0.8538
1018 680 0.8537
1019 3C1 0.8535
1020 MXN 0.8534
1021 TNE 0.8534
1022 KP6 0.8534
1023 FCB 0.8533
1024 4SX 0.8528
1025 0P6 0.8523
1026 HL4 0.8522
1027 PPR 0.8522
1028 308 0.8520
1029 KG1 0.8517
1030 2XX 0.8502
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5YVT; Ligand: NAI; 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: 5yvt.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5YVT; Ligand: NAI; Similar sites found with APoc: 11
This union binding pocket(no: 2) in the query (biounit: 5yvt.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 6ADI NDP 23.0089
2 6ADI NDP 23.0089
3 4HCX NDP 24.4838
4 4HCX NDP 24.4838
5 4UMX VVS 26.8362
6 4UMX NAP 26.8362
7 4UMX NAP 26.8362
8 3FLK NAI 47.4926
9 3FLK NAI 47.4926
10 3FLK NAI 47.4926
11 3FLK NAI 47.4926
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