Receptor
PDB id Resolution Class Description Source Keywords
3FIT 2.4 Å EC: 3.6.1.29 FHIT (FRAGILE HISTIDINE TRIAD PROTEIN) IN COMPLEX WITH ADENOSINE/SULFATE AMP ANALOG HOMO SAPIENS FHIT FRAGILE HISTIDINE TRIAD PROTEIN PUTATIVE HUMAN TUMOR SUPPRESSOR ADVANCED PHOTON SOURCE APS HIT PROTEIN FAMILYCOMPLEX (CHROMOSOMAL TRANSLOCATION-ADE) COMPLEX (CHROMOSOMTRANSLOCATION-ADE) COMPLEX
Ref.: MAD ANALYSIS OF FHIT, A PUTATIVE HUMAN TUMOR SUPPRE THE HIT PROTEIN FAMILY. STRUCTURE V. 5 763 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A A:400;
Valid;
none;
submit data
347.221 C10 H14 N5 O7 P c1nc(...
FRU A:500;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
SO4 A:300;
A:301;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FIT 2.3 Å EC: 3.6.1.29 FHIT-SUBSTRATE ANALOG HOMO SAPIENS HYDROLASE FRAGILE HISTIDINE TRIAD PROTEIN FHIT PUTATIVE TUMOR SUPPRESSOR HIT PROTEIN FAMILY HISTIDINE TRIAD PROTEIN FAMILY NUCLEOTIDYL HYDROLASE NUCLEOTIDYL TRANSFERASE
Ref.: STRUCTURE-BASED ANALYSIS OF CATALYSIS AND SUBSTRATE DEFINITION IN THE HIT PROTEIN FAMILY. SCIENCE V. 278 286 1997
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5FIT - AP2 C11 H17 N5 O9 P2 c1nc(c2c(n....
2 3FIT - FRU C6 H12 O6 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5FIT - AP2 C11 H17 N5 O9 P2 c1nc(c2c(n....
2 3FIT - FRU C6 H12 O6 C([C@@H]1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5FIT - AP2 C11 H17 N5 O9 P2 c1nc(c2c(n....
2 3FIT - FRU C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: A; Similar ligands found: 456
No: Ligand ECFP6 Tc MDL keys Tc
1 AMP 1 1
2 A 1 1
3 45A 0.833333 0.943662
4 ABM 0.833333 0.943662
5 A2D 0.833333 0.943662
6 AMP MG 0.830769 0.956522
7 ADP 0.823529 0.971429
8 BA3 0.808824 0.943662
9 AP2 0.808824 0.931507
10 A12 0.808824 0.931507
11 SRA 0.80303 0.944444
12 AP5 0.797101 0.943662
13 B4P 0.797101 0.943662
14 HEJ 0.788732 0.971429
15 ATP 0.788732 0.971429
16 AN2 0.785714 0.957747
17 AT4 0.785714 0.931507
18 APC 0.777778 0.931507
19 5FA 0.777778 0.971429
20 AQP 0.777778 0.971429
21 AU1 0.774648 0.944444
22 CA0 0.774648 0.917808
23 ADX 0.774648 0.848101
24 M33 0.774648 0.930556
25 KG4 0.763889 0.917808
26 ACP 0.763889 0.944444
27 50T 0.763889 0.957747
28 ADP BEF 0.760563 0.942857
29 ADP MG 0.760563 0.942857
30 25A 0.75641 0.971429
31 APR 0.753425 0.943662
32 AR6 0.753425 0.943662
33 PRX 0.753425 0.917808
34 TAT 0.746667 0.931507
35 T99 0.746667 0.931507
36 ACQ 0.746667 0.944444
37 AGS 0.743243 0.918919
38 RBY 0.743243 0.905405
39 ADV 0.743243 0.905405
40 AD9 0.743243 0.944444
41 ANP 0.723684 0.944444
42 APC MG 0.72 0.916667
43 ATP MG 0.72 0.942857
44 ADP PO3 0.72 0.942857
45 6YZ 0.717949 0.944444
46 5AL 0.714286 0.930556
47 V2G 0.714286 0.894737
48 8LE 0.714286 0.893333
49 SON 0.712329 0.931507
50 BEF ADP 0.710526 0.916667
51 LMS 0.710145 0.825
52 ADN 0.709677 0.842857
53 RAB 0.709677 0.842857
54 XYA 0.709677 0.842857
55 HQG 0.708861 0.957747
56 ATF 0.705128 0.931507
57 GAP 0.701299 0.891892
58 A22 0.7 0.957747
59 8LH 0.696203 0.905405
60 SRP 0.696203 0.905405
61 7D5 0.691176 0.902778
62 A2P 0.684932 0.956522
63 A3P 0.684932 0.971014
64 ALF ADP 0.683544 0.868421
65 ANP MG 0.683544 0.930556
66 VO4 ADP 0.683544 0.944444
67 ADQ 0.682927 0.917808
68 MAP 0.679012 0.918919
69 QA7 0.679012 0.893333
70 8LQ 0.679012 0.905405
71 5SV 0.670732 0.87013
72 OZV 0.670732 0.943662
73 9ZA 0.670732 0.906667
74 9ZD 0.670732 0.906667
75 OOB 0.670732 0.930556
76 8QN 0.670732 0.930556
77 PTJ 0.670588 0.894737
78 AOC 0.666667 0.84507
79 A1R 0.662651 0.881579
80 A3R 0.662651 0.881579
81 AMO 0.662651 0.905405
82 PAJ 0.662651 0.858974
83 4AD 0.662651 0.893333
84 5N5 0.661538 0.816901
85 DAL AMP 0.658537 0.90411
86 IMO 0.657534 0.928571
87 DLL 0.654762 0.930556
88 00A 0.654762 0.881579
89 AHX 0.654762 0.87013
90 JNT 0.654762 0.917808
91 5AS 0.653333 0.776471
92 A4D 0.651515 0.816901
93 5CD 0.651515 0.828571
94 6MZ 0.648649 0.957143
95 ADP BMA 0.647059 0.891892
96 3UK 0.647059 0.917808
97 OAD 0.647059 0.917808
98 9X8 0.647059 0.893333
99 25L 0.643678 0.957747
100 PR8 0.639535 0.848101
101 WAQ 0.639535 0.881579
102 LAD 0.639535 0.858974
103 B5V 0.639535 0.905405
104 DTA 0.637681 0.808219
105 V3L 0.6375 0.971429
106 3DH 0.633803 0.794521
107 3OD 0.632184 0.917808
108 FYA 0.632184 0.930556
109 BIS 0.632184 0.906667
110 TXA 0.632184 0.905405
111 1ZZ 0.632184 0.8375
112 ME8 0.632184 0.8375
113 NB8 0.632184 0.87013
114 MTA 0.628571 0.794521
115 3AM 0.625 0.956522
116 EP4 0.623188 0.773333
117 9SN 0.617977 0.87013
118 M2T 0.614286 0.753247
119 JB6 0.613636 0.881579
120 KMQ 0.611111 0.905405
121 FA5 0.611111 0.905405
122 B5Y 0.611111 0.893333
123 B5M 0.611111 0.893333
124 H1Q 0.607595 0.929577
125 MYR AMP 0.606742 0.814815
126 G5A 0.604938 0.776471
127 XAH 0.604396 0.8375
128 4UV 0.597826 0.893333
129 71V 0.597403 0.906667
130 ATP A 0.593407 0.929577
131 ATP A A A 0.593407 0.929577
132 PAP 0.592593 0.957143
133 G3A 0.591398 0.894737
134 2AM 0.589041 0.942857
135 5X8 0.5875 0.783784
136 6RE 0.586667 0.779221
137 6C6 0.585366 0.905405
138 G5P 0.585106 0.894737
139 AFH 0.585106 0.858974
140 4UU 0.585106 0.893333
141 GA7 0.585106 0.905405
142 7D3 0.584416 0.878378
143 A5A 0.583333 0.804878
144 TSB 0.581395 0.795181
145 AMP DBH 0.580645 0.891892
146 2A5 0.580247 0.891892
147 TAD 0.578947 0.858974
148 GTA 0.578947 0.860759
149 DQV 0.578947 0.930556
150 DSH 0.578947 0.74359
151 6IA 0.578313 0.858974
152 SSA 0.576471 0.776471
153 AMZ 0.575342 0.888889
154 C2R 0.575342 0.876712
155 7D4 0.575 0.878378
156 PGS 0.575 0.857143
157 ZAS 0.573333 0.786667
158 ATR 0.573171 0.942857
159 LAQ 0.572917 0.8375
160 AAM 0.571429 1
161 PPS 0.571429 0.848101
162 A3N 0.571429 0.783784
163 J7C 0.571429 0.789474
164 AIR 0.571429 0.927536
165 52H 0.569767 0.776471
166 54H 0.569767 0.785714
167 VMS 0.569767 0.785714
168 7MD 0.568421 0.8375
169 ARG AMP 0.568421 0.82716
170 AR6 AR6 0.568421 0.916667
171 YLP 0.56701 0.817073
172 48N 0.56701 0.87013
173 OVE 0.565789 0.90411
174 UPA 0.565657 0.881579
175 2SA 0.564706 0.905405
176 S4M 0.564103 0.682353
177 5CA 0.563218 0.776471
178 53H 0.563218 0.776471
179 8X1 0.563218 0.75
180 6V0 0.561224 0.87013
181 NAX 0.561224 0.848101
182 4UW 0.561224 0.858974
183 TXD 0.561224 0.881579
184 UP5 0.561224 0.893333
185 NAI 0.561224 0.881579
186 DND 0.561224 0.905405
187 NIA 0.56 0.820513
188 D5M 0.558442 0.902778
189 DA 0.558442 0.902778
190 NWW 0.557143 0.757143
191 MAO 0.556962 0.777778
192 AHZ 0.556701 0.814815
193 TXE 0.555556 0.881579
194 TYM 0.555556 0.905405
195 ITT 0.555556 0.915493
196 OMR 0.555556 0.82716
197 5AD 0.552239 0.768116
198 A2R 0.551724 0.957747
199 LPA AMP 0.55102 0.814815
200 DSZ 0.550562 0.776471
201 NSS 0.550562 0.776471
202 LSS 0.550562 0.758621
203 YLC 0.55 0.8375
204 L3W 0.55 0.905405
205 YLB 0.55 0.817073
206 AP0 0.55 0.87013
207 4TC 0.55 0.87013
208 P5A 0.549451 0.741573
209 J4G 0.549451 0.918919
210 139 0.54902 0.848101
211 O02 0.547619 0.894737
212 A4P 0.544554 0.819277
213 NVA LMS 0.544444 0.75
214 GJV 0.544304 0.769231
215 7D7 0.544118 0.763889
216 9K8 0.543478 0.711111
217 A7D 0.54321 0.797297
218 AF3 ADP 3PG 0.54 0.835443
219 ALF ADP 3PG 0.54 0.835443
220 6K6 0.539326 0.957143
221 IOT 0.539216 0.829268
222 LEU LMS 0.538462 0.747126
223 A3G 0.538462 0.797297
224 A5D 0.535714 0.808219
225 NAD IBO 0.534653 0.916667
226 7MC 0.534653 0.817073
227 NAD TDB 0.534653 0.916667
228 YLA 0.533981 0.817073
229 T5A 0.533981 0.817073
230 ADJ 0.533981 0.82716
231 GSU 0.532609 0.776471
232 KAA 0.532609 0.75
233 7RA 0.531646 0.985507
234 SFG 0.53012 0.77027
235 SAH 0.529412 0.763158
236 HFD 0.529412 0.918919
237 JSQ 0.529412 0.918919
238 AYB 0.528846 0.807229
239 CNA 0.528846 0.905405
240 N6P 0.527473 0.942029
241 8BR 0.525 0.931507
242 F2R 0.52381 0.839506
243 80F 0.523364 0.817073
244 Y3J 0.521127 0.746479
245 YSA 0.520833 0.776471
246 7RP 0.518987 0.955882
247 NAD 0.518868 0.930556
248 BTX 0.518868 0.839506
249 COD 0.518868 0.788235
250 MHZ 0.518072 0.714286
251 SA8 0.517647 0.725
252 6AD 0.517241 0.883117
253 BT5 0.514019 0.829268
254 DZD 0.514019 0.858974
255 RMB 0.5125 0.898551
256 CUU 0.511905 0.943662
257 SAI 0.511628 0.753247
258 AV2 0.511364 0.890411
259 K2R 0.510638 0.878378
260 8PZ 0.510417 0.776471
261 K3K 0.510417 0.8
262 A3D 0.509259 0.917808
263 A3S 0.506024 0.808219
264 3AT 0.505747 0.943662
265 SAM 0.505747 0.707317
266 SMM 0.505618 0.702381
267 NA7 0.505376 0.931507
268 B1U 0.505155 0.733333
269 AMP NAD 0.504673 0.90411
270 4TA 0.504673 0.804878
271 5GP 0.5 0.905405
272 EEM 0.5 0.707317
273 NEC 0.5 0.743243
274 NO7 0.5 0.905405
275 G 0.5 0.905405
276 AAT 0.5 0.725
277 YLY 0.495495 0.807229
278 M24 0.495495 0.848101
279 7C5 0.494949 0.815789
280 A3T 0.494118 0.819444
281 DAT 0.494118 0.878378
282 FAI 0.493827 0.888889
283 P2P 0.493827 0.928571
284 1RB 0.493671 0.911765
285 NAE 0.491071 0.893333
286 D4F 0.491071 0.8375
287 NAJ PZO 0.490909 0.846154
288 KOY 0.490196 0.8
289 LQJ 0.489796 0.916667
290 TM1 0.489583 0.771084
291 PO4 PO4 A A A A PO4 0.489362 0.901408
292 A6D 0.489362 0.740741
293 QXP 0.48913 0.761905
294 V47 0.488889 0.780822
295 S7M 0.488889 0.707317
296 DTP 0.488636 0.878378
297 RBZ 0.4875 0.873239
298 101 0.4875 0.902778
299 NWQ 0.487179 0.736111
300 EAD 0.486957 0.848101
301 NAQ 0.486726 0.87013
302 4YB 0.485149 0.758621
303 K3E 0.484848 0.789474
304 NDE 0.483051 0.931507
305 38V 0.482456 0.860759
306 N0B 0.482456 0.817073
307 ZID 0.482456 0.917808
308 N5O 0.481481 0.76
309 WSA 0.480769 0.785714
310 KL2 0.480519 0.861111
311 RGT 0.479592 0.931507
312 ARU 0.478723 0.835443
313 GGZ 0.478261 0.8
314 JLN 0.47561 0.863014
315 ANZ 0.475248 0.820513
316 QQY 0.475 0.837838
317 ACK 0.475 0.885714
318 QXG 0.473684 0.752941
319 NAJ PYZ 0.473684 0.804878
320 S8M 0.473118 0.779221
321 AVV 0.473118 0.87013
322 GEK 0.473118 0.734177
323 3AD 0.472973 0.828571
324 P1H 0.470588 0.82716
325 N5A 0.46988 0.733333
326 R2V 0.46875 0.761905
327 0UM 0.468085 0.716049
328 RVP 0.467532 0.847222
329 649 0.466667 0.741573
330 Z5A 0.465517 0.776471
331 PMO 0.464286 0.873239
332 O05 0.463918 0.819277
333 SXZ 0.463918 0.707317
334 62X 0.463158 0.682353
335 K2H 0.463158 0.753247
336 QQX 0.4625 0.826667
337 KY2 0.462366 0.75
338 8Q2 0.462264 0.75
339 OK8 0.461538 0.853333
340 K2W 0.46 0.7375
341 2VA 0.45977 0.797297
342 IMP 0.458824 0.90411
343 CC5 0.458333 0.84058
344 K15 0.458333 0.698795
345 AS 0.457831 0.855263
346 DDS 0.455556 0.851351
347 V1N 0.455446 0.943662
348 NJP 0.454545 0.918919
349 K38 0.454545 0.776316
350 K2K 0.453608 0.734177
351 7DD 0.453488 0.957143
352 G7M 0.453488 0.87013
353 93A 0.453488 0.804878
354 3D1 0.453333 0.77027
355 3L1 0.453333 0.77027
356 KYB 0.452632 0.75
357 EO7 0.452381 0.785714
358 NDC 0.45082 0.87013
359 FB0 0.45082 0.781609
360 DZ4 0.450549 0.855263
361 0WD 0.45045 0.894737
362 NVA 2AD 0.449438 0.75641
363 26A 0.447368 0.76
364 2FA 0.447368 0.810811
365 2BA 0.447059 0.914286
366 CMP 0.447059 0.927536
367 D3Y 0.446809 0.786667
368 K3H 0.445545 0.746835
369 VRT 0.444444 0.766234
370 APU 0.444444 0.893333
371 KB1 0.444444 0.716049
372 KY5 0.444444 0.74359
373 SO8 0.444444 0.786667
374 FDA 0.443548 0.809524
375 PUA 0.443478 0.858974
376 ODP 0.441441 0.883117
377 6FA 0.44 0.817073
378 NX8 0.43956 0.7125
379 RP1 0.439024 0.864865
380 SP1 0.439024 0.864865
381 103 0.439024 0.861111
382 3NZ 0.438776 0.779221
383 KY8 0.438776 0.746835
384 7DT 0.438202 0.957143
385 NDP 0.436364 0.894737
386 NPW 0.436364 0.860759
387 MTP 0.434211 0.727273
388 FAD 0.433071 0.82716
389 SFD 0.433071 0.712766
390 FAS 0.433071 0.82716
391 TXP 0.432432 0.894737
392 IRN 0.432432 0.867647
393 NZQ 0.432432 0.883117
394 ZZB 0.432432 0.792683
395 KYE 0.431373 0.731707
396 62F 0.430769 0.8375
397 FNK 0.430769 0.781609
398 128 0.429907 0.752941
399 9BG 0.428571 0.87013
400 KXW 0.428571 0.725
401 6MD 0.428571 0.805556
402 PAX 0.428571 0.82716
403 1DA 0.428571 0.842857
404 SLU 0.426087 0.767442
405 PLP AAD 0.426087 0.75
406 XNP 0.424779 0.848101
407 HZ2 0.424528 0.728395
408 12D 0.424528 0.761905
409 5F1 0.423077 0.72973
410 DCA 0.422414 0.8
411 ETB 0.422414 0.809524
412 NWZ 0.422222 0.7
413 F0P 0.422018 0.725
414 ERJ 0.421687 0.777778
415 WMP 0.421053 0.864865
416 GUO 0.421053 0.864865
417 OZP 0.420561 0.725
418 U4Y 0.420561 0.734177
419 HY8 0.416667 0.728395
420 FAY 0.416667 0.8375
421 38Y 0.415929 0.804878
422 5J9 0.415842 0.728395
423 NAD BBN 0.415385 0.817073
424 COA 0.415254 0.8
425 0T1 0.415254 0.8
426 KH3 0.415094 0.690476
427 N01 0.413793 0.90411
428 FMP 0.413793 0.871429
429 RFL 0.413534 0.797619
430 NMN AMP PO4 0.412281 0.868421
431 NAD CJ3 0.409091 0.788235
432 Q34 0.409091 0.690476
433 Q2M 0.409091 0.707317
434 GDP 0.408602 0.893333
435 GP2 0.408602 0.858974
436 NAP 0.408333 0.944444
437 NOC 0.407895 0.760563
438 CNV FAD 0.407407 0.770115
439 2ER 0.405941 0.831169
440 1PR 0.405941 0.820513
441 P5F 0.405797 0.8
442 CAO 0.404959 0.772727
443 30N 0.404959 0.731183
444 TAP 0.404959 0.906667
445 COS 0.404959 0.781609
446 AMX 0.404959 0.809524
447 EU9 0.40367 0.681818
448 XMP 0.402299 0.891892
449 G2P 0.402062 0.858974
450 NA0 0.401639 0.931507
451 CMX 0.401639 0.8
452 SCO 0.401639 0.8
453 9JJ 0.40146 0.8375
454 Q2P 0.4 0.690476
455 N37 0.4 0.730769
456 F2N 0.4 0.790698
Ligand no: 2; Ligand: FRU; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 SF9 1 1
2 SF6 1 1
3 LFR 1 1
4 PSV 1 1
5 FRU 1 1
6 TA6 0.564103 0.744186
7 F6P 0.564103 0.744186
8 F1X 0.487805 0.744186
9 LRH 0.484848 0.882353
10 FRU FRU FRU 0.479167 0.888889
11 FRU FRU FRU FRU 0.479167 0.888889
12 Z9N GLC 0.44 0.864865
Similar Ligands (3D)
Ligand no: 1; Ligand: A; Similar ligands found: 226
No: Ligand Similarity coefficient
1 NOS 0.9906
2 TBN 0.9901
3 5FD 0.9881
4 FMC 0.9845
5 FMB 0.9839
6 9DI 0.9823
7 MDR 0.9805
8 AD3 0.9781
9 GMP 0.9757
10 FTU 0.9719
11 5ID 0.9711
12 EKH 0.9692
13 HPR 0.9673
14 PRH 0.9673
15 FM1 0.9616
16 8OX 0.9612
17 IMG 0.9605
18 UA2 0.9590
19 RPP 0.9588
20 IMH 0.9584
21 F01 0.9565
22 DBM 0.9557
23 3BH 0.9555
24 PUR 0.9548
25 CFE 0.9545
26 CL9 0.9540
27 6CR 0.9510
28 FM2 0.9505
29 THM 0.9502
30 GNG 0.9498
31 4UO 0.9489
32 TAL 0.9484
33 5UD 0.9473
34 URI 0.9462
35 CTN 0.9455
36 2FD 0.9429
37 5I5 0.9409
38 MTH 0.9406
39 DCF 0.9397
40 0DN 0.9397
41 5BT 0.9391
42 MG7 0.9366
43 RFZ 0.9360
44 5NB 0.9327
45 MCY 0.9324
46 MTM 0.9323
47 B86 0.9312
48 7CI 0.9310
49 DUR 0.9292
50 MTI 0.9285
51 RBV 0.9278
52 MZR 0.9275
53 TMC 0.9270
54 3DT 0.9268
55 SCT 0.9268
56 5MD 0.9247
57 CDY 0.9246
58 TIZ 0.9246
59 HO4 0.9244
60 H7S 0.9242
61 ARJ 0.9241
62 8HG 0.9237
63 13A 0.9233
64 I5A 0.9229
65 MCF 0.9227
66 ID2 0.9222
67 DCZ 0.9210
68 CTD 0.9198
69 5AE 0.9184
70 TO1 0.9182
71 2TU 0.9177
72 TIA 0.9172
73 AHU 0.9172
74 NNR 0.9169
75 8DA 0.9158
76 DNB 0.9123
77 UUA 0.9094
78 KF5 0.9086
79 RVD 0.9084
80 URD 0.9081
81 XYP XYS 0.9071
82 AFX 0.9068
83 GEO 0.9063
84 DBS 0.9052
85 LLT 0.9051
86 NQ7 0.9049
87 THU 0.9040
88 ZIQ 0.9039
89 P2L 0.9003
90 5BX 0.8997
91 AR3 0.8996
92 XYP XYP 0.8989
93 TYU 0.8985
94 XYP XIF 0.8983
95 5JT 0.8983
96 XIF XYP 0.8983
97 EAT 0.8982
98 EXX 0.8974
99 ZEB 0.8967
100 HBI 0.8960
101 9UL 0.8957
102 XYP XDN 0.8956
103 PE2 0.8952
104 0GA 0.8951
105 DTE 0.8946
106 TRP 0.8944
107 DDU 0.8941
108 XYS XYP 0.8934
109 MPU 0.8929
110 ZYV 0.8923
111 CTE 0.8918
112 BVD 0.8911
113 SGV 0.8905
114 H4B 0.8897
115 XYS XYS 0.8895
116 XTS 0.8892
117 XIL 0.8891
118 XDL XYP 0.8891
119 NEO 0.8885
120 1KN 0.8880
121 GA2 0.8880
122 XDN XYP 0.8857
123 NIR 0.8854
124 ITW 0.8851
125 PIR 0.8840
126 H2B 0.8835
127 0J4 0.8830
128 FWD 0.8827
129 22L 0.8823
130 BRD 0.8823
131 DTR 0.8823
132 092 0.8821
133 IOS 0.8805
134 4GU 0.8803
135 XFE 0.8803
136 ACE TRP 0.8800
137 4OG 0.8799
138 92O 0.8796
139 ZJB 0.8795
140 M02 0.8793
141 SGP 0.8792
142 96Z 0.8785
143 LTN 0.8784
144 Z15 0.8781
145 K80 0.8780
146 NEU 0.8780
147 TR7 0.8776
148 M01 0.8775
149 KP2 0.8773
150 DK4 0.8770
151 0SY 0.8767
152 QME 0.8766
153 W29 0.8765
154 5P7 0.8761
155 5E5 0.8754
156 CX5 0.8747
157 XYP AHR 0.8747
158 4AB 0.8745
159 M5H 0.8745
160 833 0.8744
161 ZSP 0.8743
162 28B 0.8735
163 B5A 0.8726
164 ETV 0.8723
165 AVX 0.8721
166 BGC GLC 0.8713
167 0OK 0.8713
168 Z57 0.8712
169 1Q4 0.8707
170 W23 0.8704
171 DAH 0.8704
172 2DL 0.8700
173 6ZW 0.8695
174 LL1 0.8695
175 HVE 0.8693
176 LVY 0.8693
177 2QU 0.8692
178 LOX XYP 0.8692
179 BIO 0.8681
180 DGO MAN 0.8677
181 FYR 0.8675
182 16Z 0.8673
183 9FH 0.8665
184 EF2 0.8663
185 X48 0.8659
186 51Y 0.8658
187 GPK 0.8653
188 7AP 0.8651
189 78U 0.8646
190 JF8 0.8643
191 3Y7 0.8641
192 DXK 0.8637
193 GPU 0.8636
194 2UD 0.8635
195 GPQ 0.8632
196 7EH 0.8632
197 DIH 0.8627
198 BP7 0.8626
199 G6P 0.8623
200 A7K 0.8621
201 2QV 0.8621
202 JGB 0.8619
203 ZRK 0.8616
204 C4E 0.8613
205 JMQ 0.8611
206 Y70 0.8610
207 ID8 0.8609
208 MXD 0.8607
209 9CE 0.8606
210 NIY 0.8601
211 2GD 0.8599
212 8D6 0.8599
213 6EL 0.8597
214 BBY 0.8597
215 BHS 0.8592
216 YUG 0.8586
217 KYN 0.8581
218 DGP 0.8575
219 8OP 0.8568
220 ARP 0.8567
221 363 0.8556
222 DGO Z61 0.8549
223 2GP 0.8547
224 QNI 0.8537
225 1QV 0.8535
226 4NR 0.8514
Ligand no: 2; Ligand: FRU; Similar ligands found: 1070
No: Ligand Similarity coefficient
1 FX1 0.9903
2 SOE 0.9860
3 AFR 0.9793
4 MAN 0.9727
5 BDF 0.9706
6 BMA 0.9551
7 MMA 0.9550
8 3XX 0.9545
9 G2F 0.9532
10 BGC 0.9526
11 V55 0.9520
12 LCN 0.9496
13 NOJ 0.9490
14 GLC 0.9465
15 3Z7 0.9459
16 G3F 0.9451
17 95Z 0.9450
18 IFL 0.9445
19 DIG 0.9438
20 ASO 0.9437
21 SYG 0.9415
22 NOY 0.9409
23 54G 0.9403
24 5DI 0.9401
25 FUD 0.9399
26 GTQ 0.9393
27 5M0 0.9392
28 5RG 0.9376
29 4ZC 0.9371
30 9TZ 0.9360
31 OXZ 0.9355
32 GYP 0.9355
33 6LW 0.9351
34 MNM 0.9350
35 2XX 0.9348
36 F0J 0.9342
37 G5V 0.9340
38 GOX 0.9339
39 IFM 0.9337
40 IJZ 0.9329
41 5MK 0.9328
42 CGB 0.9328
43 EUG 0.9328
44 4PW 0.9321
45 LKA 0.9317
46 GLF 0.9313
47 B0D 0.9313
48 4HM 0.9308
49 ZWZ 0.9307
50 R8S 0.9306
51 4M4 0.9303
52 AZF 0.9291
53 SX1 0.9290
54 AHR 0.9278
55 VNL 0.9275
56 FOT 0.9272
57 6CS 0.9255
58 1DW 0.9253
59 M1E 0.9253
60 FIX 0.9249
61 TFU 0.9247
62 BDP 0.9247
63 948 0.9246
64 I3A 0.9243
65 PA1 0.9241
66 DMJ 0.9241
67 IPZ 0.9234
68 XX3 0.9229
69 HXX 0.9226
70 GLO 0.9224
71 3R6 0.9223
72 7VJ 0.9221
73 HJP 0.9220
74 T6C 0.9219
75 293 0.9216
76 ARB 0.9213
77 EYK 0.9212
78 8S0 0.9212
79 RIB 0.9212
80 94B 0.9209
81 9PY 0.9209
82 AN0 0.9208
83 C2U 0.9207
84 32O 0.9206
85 DIE 0.9206
86 LGC 0.9205
87 DBX 0.9203
88 091 0.9203
89 CNL 0.9201
90 DIU 0.9199
91 KBG 0.9198
92 7HQ 0.9198
93 P4B 0.9197
94 7MH 0.9197
95 9MG 0.9194
96 GAL 0.9191
97 FUL 0.9190
98 CTS 0.9190
99 ZZT 0.9190
100 GCS 0.9190
101 XYS 0.9188
102 GOO 0.9181
103 LYL 0.9179
104 3DM 0.9179
105 DFB 0.9179
106 PXL 0.9175
107 2M5 0.9172
108 LXC 0.9171
109 3C7 0.9170
110 3DY 0.9168
111 XXR 0.9167
112 HX3 0.9166
113 URC 0.9163
114 XAN 0.9162
115 ARA 0.9161
116 UNC 0.9157
117 82I 0.9157
118 X09 0.9156
119 H76 0.9155
120 XLS 0.9151
121 MO8 0.9151
122 9DG 0.9151
123 SDD 0.9149
124 149 0.9149
125 4AA 0.9149
126 GLA 0.9146
127 M6N 0.9146
128 Z6J 0.9143
129 289 0.9143
130 AMG 0.9142
131 GUN 0.9141
132 PXM 0.9140
133 FUC 0.9140
134 3MB 0.9139
135 2MN 0.9137
136 GIV 0.9137
137 XYP 0.9137
138 FYU 0.9135
139 UEG 0.9134
140 MEW 0.9133
141 FA1 0.9131
142 OVM 0.9130
143 URQ 0.9129
144 NFQ 0.9128
145 KJU 0.9126
146 1LN 0.9124
147 VOH 0.9124
148 Q24 0.9119
149 J9W 0.9115
150 3R9 0.9113
151 7VS 0.9113
152 M0W 0.9112
153 BZ3 0.9112
154 G4D 0.9111
155 3MG 0.9110
156 5OB 0.9110
157 261 0.9109
158 6M4 0.9108
159 8TX 0.9108
160 AUD 0.9106
161 AZA 0.9106
162 1N4 0.9104
163 IPM 0.9104
164 3DO 0.9103
165 42A 0.9103
166 NMJ 0.9103
167 URF 0.9103
168 AZ8 0.9102
169 2PG 0.9101
170 2H5 0.9100
171 PE0 0.9100
172 MZB 0.9099
173 M2H 0.9098
174 DGJ 0.9098
175 M0Q 0.9098
176 4MU 0.9096
177 1XX 0.9095
178 FP1 0.9092
179 CN0 0.9091
180 AQO 0.9090
181 FA3 0.9090
182 FHN 0.9089
183 Q88 0.9088
184 XUL 0.9087
185 M2K 0.9087
186 MSN 0.9086
187 DRL 0.9084
188 XQG 0.9083
189 SJ5 0.9083
190 9KH 0.9082
191 M5K 0.9080
192 LZM 0.9079
193 3RK 0.9079
194 1P7 0.9077
195 NGT 0.9075
196 NGW 0.9075
197 NGO 0.9075
198 SYV 0.9075
199 KBB 0.9074
200 2TQ 0.9074
201 3NT 0.9074
202 3BU 0.9073
203 ASC 0.9072
204 12M 0.9070
205 B55 0.9069
206 4HC 0.9069
207 WBU 0.9068
208 HMU 0.9067
209 GXL 0.9067
210 ICO 0.9065
211 5FN 0.9064
212 FE DB1 0.9061
213 KT7 0.9061
214 M1Q 0.9061
215 SVD 0.9060
216 42C 0.9059
217 DBH 0.9059
218 TLA 0.9059
219 NCD 0.9058
220 YTB 0.9056
221 AH8 0.9055
222 PDC 0.9055
223 6AP 0.9054
224 DOR 0.9054
225 6KX 0.9053
226 RM1 0.9050
227 AZG 0.9050
228 A2F 0.9050
229 HMH 0.9050
230 MA3 0.9049
231 Q6T 0.9048
232 3F0 0.9048
233 OW4 0.9048
234 141 0.9046
235 AKH 0.9045
236 HT4 0.9045
237 AJ2 0.9045
238 ES0 0.9044
239 3HA 0.9044
240 CIT 0.9044
241 ATH 0.9044
242 FH2 0.9043
243 2YU 0.9043
244 3U4 0.9042
245 SOL 0.9042
246 PBE 0.9042
247 SAL 0.9041
248 GCB 0.9041
249 IGA 0.9041
250 KDF 0.9041
251 BZX 0.9041
252 A1U 0.9040
253 BE2 0.9039
254 TM7 0.9039
255 A7W 0.9039
256 FLC 0.9039
257 P9P 0.9039
258 3M0 0.9037
259 CAH 0.9037
260 3CU 0.9036
261 5XC 0.9036
262 HPT 0.9034
263 OMD 0.9034
264 HQ9 0.9034
265 3SK 0.9034
266 7ME 0.9034
267 MWP 0.9033
268 F81 0.9033
269 O7U 0.9032
270 MBG 0.9032
271 AEH 0.9031
272 DNF 0.9031
273 CWM 0.9030
274 1P8 0.9029
275 5JQ 0.9028
276 QSB 0.9028
277 BTY 0.9026
278 CTL 0.9026
279 F31 0.9024
280 4SV 0.9021
281 GAB 0.9021
282 1WD 0.9020
283 FDK 0.9019
284 SKJ 0.9019
285 75K 0.9018
286 47J 0.9017
287 JZ4 0.9017
288 I2M 0.9017
289 5GU 0.9017
290 0MK 0.9017
291 4NC 0.9014
292 TAR 0.9013
293 BOA 0.9012
294 COU 0.9012
295 3HB 0.9011
296 LSA 0.9010
297 7W4 0.9009
298 CAM 0.9009
299 QIC 0.9008
300 6F0 0.9007
301 6GU 0.9006
302 BDR 0.9005
303 OTD 0.9004
304 7NI 0.9004
305 290 0.9004
306 5RN 0.9004
307 5JL 0.9004
308 DMV 0.9003
309 KJY 0.9003
310 ES6 0.9002
311 H42 0.9002
312 PRZ 0.9002
313 GCU 0.9002
314 OVV 0.9002
315 HPA 0.9002
316 C2A 0.9001
317 2AQ 0.9001
318 GRE 0.8999
319 H7Y 0.8998
320 KOJ 0.8998
321 R8A 0.8998
322 5JC 0.8997
323 TNX 0.8997
324 EA1 0.8996
325 Y8I 0.8994
326 3FH 0.8994
327 M1H 0.8993
328 PFL 0.8992
329 II6 0.8992
330 IP0 0.8992
331 RAM 0.8992
332 FSW 0.8991
333 MFU 0.8991
334 UAN 0.8990
335 7HP 0.8990
336 24B 0.8989
337 SVJ 0.8989
338 CDV 0.8988
339 E7Z 0.8986
340 VNJ 0.8986
341 YH7 0.8986
342 2ZQ 0.8986
343 XBZ 0.8985
344 RUU 0.8983
345 S76 0.8982
346 GIF 0.8982
347 4ZE 0.8982
348 MFB 0.8981
349 7D2 0.8981
350 EVA 0.8980
351 MWM 0.8980
352 IPB 0.8980
353 NSP 0.8980
354 IHB 0.8980
355 MZG 0.8979
356 ALL 0.8979
357 34A 0.8978
358 JA8 0.8978
359 9TW 0.8978
360 35C 0.8977
361 6M1 0.8977
362 XM0 0.8977
363 JKE 0.8976
364 2MP 0.8976
365 1XM 0.8976
366 DFU 0.8975
367 MRW 0.8975
368 DIN 0.8975
369 1U6 0.8975
370 EOL 0.8974
371 AOR 0.8973
372 ICT 0.8973
373 T9G 0.8973
374 DQA 0.8973
375 SHG 0.8973
376 DBJ 0.8973
377 BHA 0.8973
378 8H8 0.8971
379 4CL 0.8970
380 4FS 0.8970
381 F05 0.8969
382 8IG 0.8968
383 TMH 0.8967
384 275 0.8966
385 ORO 0.8966
386 ADE 0.8966
387 329 0.8964
388 DX4 0.8964
389 XYH 0.8963
390 TAG 0.8963
391 REL 0.8963
392 23A 0.8963
393 P3K 0.8962
394 RIP 0.8962
395 MYJ 0.8962
396 4Z4 0.8961
397 3OC 0.8961
398 KIB 0.8961
399 FBT 0.8961
400 53C 0.8960
401 286 0.8960
402 IF7 0.8960
403 2AC 0.8959
404 MCT 0.8959
405 5NU 0.8959
406 8ZE 0.8959
407 ISD 0.8958
408 NDM 0.8958
409 GLT 0.8957
410 ICP 0.8957
411 PYD 0.8957
412 4ME 0.8956
413 GYE 0.8956
414 5B1 0.8956
415 OFQ 0.8956
416 CFP 0.8955
417 OCH 0.8955
418 JZ3 0.8955
419 2AL 0.8953
420 5CU 0.8953
421 4XR 0.8952
422 QOS 0.8951
423 BRT 0.8950
424 0RW 0.8950
425 4TE 0.8949
426 PAF 0.8949
427 TLD 0.8948
428 64K 0.8947
429 ES5 0.8946
430 KKN 0.8946
431 03V 0.8945
432 GLY PRO 0.8945
433 HLZ 0.8943
434 BCP 0.8942
435 SR1 0.8941
436 DOB 0.8941
437 FDB 0.8940
438 ISN 0.8940
439 7WV 0.8939
440 TDR 0.8939
441 AGK 0.8938
442 5H1 0.8938
443 4CS 0.8937
444 MWJ 0.8937
445 RNT 0.8936
446 DMO 0.8936
447 3BZ 0.8935
448 WCE 0.8934
449 XYD 0.8934
450 DHB 0.8934
451 OA3 0.8933
452 6VD 0.8933
453 KIA 0.8932
454 0HN 0.8932
455 ES2 0.8931
456 5MB 0.8931
457 OAF 0.8931
458 N2I 0.8930
459 717 0.8930
460 SRO 0.8930
461 6HQ 0.8929
462 2A7 0.8928
463 5WY 0.8928
464 ZB1 0.8927
465 JB5 0.8927
466 F12 0.8926
467 RNS 0.8926
468 EPR 0.8925
469 14O 0.8925
470 QWN 0.8925
471 HIO 0.8925
472 43M 0.8924
473 PYG 0.8923
474 4NG 0.8922
475 F60 0.8921
476 2CQ 0.8921
477 SHA 0.8920
478 4JJ 0.8920
479 ENL 0.8920
480 SWA 0.8920
481 CHB 0.8920
482 27Y 0.8919
483 5WV 0.8919
484 ES9 0.8919
485 PFB 0.8919
486 9EW 0.8918
487 1P3 0.8918
488 2A9 0.8917
489 DHS 0.8915
490 1MC 0.8915
491 XQ0 0.8915
492 4JT 0.8915
493 DMD 0.8915
494 ADZ 0.8915
495 FB1 0.8915
496 GV9 0.8914
497 2FG 0.8914
498 GAF 0.8914
499 D1X 0.8914
500 FA0 0.8914
501 260 0.8914
502 5MI 0.8913
503 XAZ 0.8912
504 YIO 0.8912
505 TBP 0.8912
506 RM4 0.8912
507 93K 0.8912
508 OHP 0.8912
509 1GN 0.8911
510 QX2 0.8911
511 5HN 0.8911
512 6M9 0.8911
513 ES7 0.8911
514 CRS 0.8910
515 GIO 0.8909
516 2HO 0.8909
517 SMN 0.8908
518 6AI 0.8907
519 OXC 0.8906
520 JZ2 0.8905
521 PD2 0.8904
522 PKU 0.8904
523 FEH 0.8904
524 BCU 0.8903
525 2K4 0.8903
526 8WO 0.8903
527 INE 0.8903
528 34V 0.8902
529 GLU 0.8902
530 FBV 0.8901
531 HGQ 0.8901
532 CCB 0.8900
533 KP6 0.8900
534 4TU 0.8900
535 OVP 0.8899
536 1F1 0.8899
537 K5W 0.8899
538 GLG 0.8898
539 BR9 0.8898
540 ZXD 0.8898
541 GCV 0.8898
542 HH5 0.8898
543 3NY 0.8897
544 2EC 0.8896
545 SFU 0.8896
546 5MH 0.8896
547 XIY 0.8896
548 8G0 0.8895
549 VGD 0.8895
550 VAH 0.8894
551 0CU 0.8894
552 150 0.8894
553 EV0 0.8893
554 4XV 0.8893
555 RBL 0.8893
556 ADK 0.8893
557 PTO 0.8893
558 3V4 0.8893
559 CRN 0.8893
560 WOO 0.8892
561 34D 0.8892
562 1AB 0.8892
563 JFJ 0.8891
564 BTE 0.8891
565 7B4 0.8891
566 SXS 0.8891
567 ROR 0.8890
568 QXW 0.8890
569 0LH 0.8890
570 NTM 0.8889
571 2FY 0.8888
572 H4N 0.8888
573 TSS 0.8888
574 INO 0.8888
575 10L 0.8886
576 2LP 0.8886
577 4M0 0.8886
578 ET2 0.8886
579 F4Z 0.8886
580 5QX 0.8886
581 RB0 0.8885
582 XYL 0.8885
583 RB5 0.8885
584 11S 0.8885
585 3AB 0.8885
586 BP1 0.8884
587 SVN 0.8884
588 3ID 0.8883
589 OAA 0.8880
590 AS3 0.8879
591 FUF 0.8879
592 JAE 0.8879
593 E1P 0.8879
594 AIN 0.8878
595 ARW 0.8878
596 CLW 0.8878
597 2DR 0.8877
598 SWD 0.8877
599 MR1 0.8877
600 0HO 0.8877
601 X6X 0.8876
602 NAG 0.8875
603 QDK 0.8874
604 NK 0.8874
605 3MA 0.8871
606 RD4 0.8870
607 0R0 0.8870
608 TNE 0.8869
609 FPK 0.8868
610 3IT 0.8868
611 5UC 0.8867
612 H62 0.8866
613 YQA 0.8865
614 8GC 0.8865
615 23J 0.8865
616 51R 0.8864
617 TCM 0.8864
618 FCB 0.8863
619 LNO 0.8862
620 ABE 0.8862
621 6PC 0.8861
622 GTR 0.8860
623 6MP 0.8860
624 ZZ3 0.8860
625 3Z8 0.8860
626 URA 0.8860
627 PSJ 0.8859
628 4HO 0.8859
629 CIZ 0.8859
630 P84 0.8858
631 PM6 0.8857
632 5WX 0.8856
633 4XS 0.8855
634 EJZ 0.8854
635 36R 0.8854
636 45L 0.8853
637 OW7 0.8853
638 N8P 0.8853
639 8WT 0.8852
640 FUB 0.8849
641 5VM 0.8849
642 FK1 0.8849
643 J9T 0.8848
644 JIF 0.8848
645 ES4 0.8846
646 4XH 0.8846
647 EKZ 0.8846
648 TWO 0.8846
649 1XN 0.8844
650 TH7 0.8844
651 26D 0.8843
652 51F 0.8843
653 SEJ 0.8843
654 BK9 0.8842
655 9DA 0.8842
656 F9Y 0.8842
657 3WA 0.8840
658 NPO 0.8840
659 GTL 0.8839
660 J01 0.8838
661 5IQ 0.8838
662 25W 0.8838
663 0F9 0.8835
664 B53 0.8835
665 TTL 0.8835
666 ITN 0.8835
667 40F 0.8834
668 1M2 0.8834
669 N5J 0.8833
670 0JD 0.8833
671 PQK 0.8831
672 KUF 0.8831
673 NDH 0.8829
674 1AL 0.8828
675 JBE 0.8828
676 QBK 0.8828
677 2BG 0.8828
678 0P6 0.8828
679 CWS 0.8828
680 6UA 0.8828
681 173 0.8827
682 6R8 0.8827
683 GDE 0.8827
684 ONR 0.8826
685 1WG 0.8826
686 069 0.8825
687 DNC 0.8825
688 4H2 0.8824
689 KLW 0.8822
690 7MK 0.8822
691 AW5 0.8822
692 1LQ 0.8822
693 R1P 0.8822
694 TH0 0.8818
695 ASP 0.8818
696 ASN 0.8817
697 JPZ 0.8817
698 PHT 0.8817
699 DZX 0.8816
700 5AC 0.8816
701 QSH 0.8815
702 YTX 0.8814
703 5SG 0.8814
704 CKU 0.8813
705 HQY 0.8813
706 QAT 0.8812
707 EDR 0.8811
708 6NT 0.8811
709 GJS 0.8810
710 8OZ 0.8810
711 57O 0.8810
712 NEQ 0.8810
713 KPL 0.8808
714 AI2 0.8807
715 N7P 0.8806
716 B57 0.8806
717 TC7 0.8805
718 A13 0.8805
719 YSO 0.8805
720 CWJ 0.8804
721 ISZ 0.8804
722 9HX 0.8803
723 7WR 0.8802
724 B60 0.8802
725 SOR 0.8801
726 RJY 0.8801
727 2CL 0.8801
728 8NY 0.8800
729 ES1 0.8799
730 ILE 0.8799
731 V6F 0.8798
732 M3T 0.8798
733 R9S 0.8798
734 5Q0 0.8798
735 15N 0.8797
736 GLY CYS 0.8795
737 0W8 0.8795
738 4JO 0.8795
739 1NP 0.8795
740 KFH 0.8795
741 XCZ 0.8794
742 B2J 0.8792
743 IV2 0.8792
744 6XI 0.8790
745 OEM 0.8790
746 DA4 0.8790
747 MS9 0.8789
748 DHK 0.8788
749 X05 0.8788
750 0FN 0.8788
751 5HY 0.8788
752 BHO 0.8788
753 5NI 0.8787
754 SNE 0.8787
755 PEP 0.8787
756 GM7 0.8786
757 7WA 0.8786
758 9FL 0.8786
759 8CM 0.8785
760 XXG 0.8785
761 12B 0.8784
762 RSF 0.8784
763 42J 0.8783
764 7ZE 0.8782
765 2ZM 0.8782
766 8EZ 0.8781
767 RCO 0.8779
768 1SQ 0.8776
769 HNQ 0.8776
770 45C 0.8776
771 IFP 0.8776
772 QAS 0.8775
773 XX2 0.8775
774 BVF 0.8774
775 RIM 0.8773
776 NTC 0.8772
777 LG5 0.8772
778 4A5 0.8771
779 IT9 0.8771
780 3CH 0.8771
781 XRG 0.8771
782 5RO 0.8771
783 MET 0.8771
784 3A9 0.8770
785 IDH 0.8768
786 B3R 0.8767
787 3HM 0.8767
788 MAQ 0.8767
789 GCW 0.8766
790 MUA 0.8766
791 8GF 0.8766
792 TRA 0.8765
793 39A 0.8765
794 DUB 0.8765
795 FHB 0.8764
796 EU7 0.8763
797 JND 0.8762
798 JKZ 0.8762
799 GOG 0.8761
800 B62 0.8760
801 K2Q 0.8760
802 ABV 0.8759
803 6RQ 0.8758
804 SYN 0.8757
805 1X7 0.8756
806 GZ8 0.8755
807 NNO 0.8755
808 HY1 0.8755
809 LPK 0.8754
810 LG3 0.8754
811 HQD 0.8754
812 7B3 0.8754
813 CIG 0.8750
814 PZI 0.8750
815 BFM 0.8750
816 2D0 0.8749
817 AX7 0.8749
818 270 0.8749
819 1DJ 0.8749
820 4VP 0.8749
821 4YS 0.8747
822 4A3 0.8747
823 SRT 0.8746
824 HHA 0.8746
825 EDG 0.8745
826 RPQ 0.8744
827 4RW 0.8742
828 MIC 0.8742
829 G6D 0.8742
830 8GK 0.8741
831 F5B 0.8741
832 FLV 0.8741
833 HA5 0.8739
834 6MH 0.8739
835 C5A 0.8739
836 LDP 0.8738
837 ICB 0.8738
838 FCA 0.8736
839 2MI 0.8736
840 D07 0.8736
841 8XQ 0.8731
842 NID 0.8731
843 7MU 0.8730
844 GZQ 0.8730
845 308 0.8730
846 CAX 0.8729
847 MXN 0.8729
848 NTZ 0.8728
849 JYB 0.8728
850 G3E 0.8728
851 TEP 0.8726
852 JLZ 0.8725
853 CYT 0.8725
854 JAW 0.8725
855 QPR 0.8724
856 D3M 0.8724
857 J5I 0.8724
858 IUR 0.8722
859 NDG 0.8720
860 24W 0.8719
861 SKM 0.8718
862 LMR 0.8717
863 2LY 0.8716
864 PEZ 0.8716
865 GNL 0.8715
866 NSG 0.8715
867 3C2 0.8715
868 ABI 0.8715
869 DEE 0.8714
870 RHU 0.8712
871 2CM 0.8711
872 F34 0.8711
873 JTH 0.8711
874 NOK 0.8710
875 ADA 0.8710
876 DQU 0.8710
877 MVL 0.8708
878 280 0.8708
879 M1A 0.8707
880 6NI 0.8707
881 2ZV 0.8706
882 N8Y 0.8705
883 NHG 0.8705
884 KTA 0.8704
885 2ZX 0.8703
886 1PT 0.8702
887 JFD 0.8701
888 XSP 0.8700
889 TIU 0.8700
890 6FZ 0.8700
891 VK3 0.8700
892 H3M 0.8699
893 IDM 0.8699
894 06B 0.8698
895 9ZE 0.8698
896 2HU 0.8697
897 271 0.8697
898 0W1 0.8696
899 98J 0.8696
900 P92 0.8695
901 K17 0.8695
902 QX4 0.8695
903 2CK 0.8695
904 FBA 0.8695
905 5WU 0.8694
906 SYA 0.8693
907 2MY 0.8693
908 SS2 0.8693
909 3C1 0.8693
910 KYD 0.8692
911 R2B 0.8691
912 TT4 0.8691
913 680 0.8691
914 C2Y 0.8688
915 KDG 0.8688
916 GXY 0.8687
917 PRF 0.8687
918 0TR 0.8687
919 3PF 0.8687
920 K3Q 0.8686
921 I1N 0.8685
922 NHC 0.8685
923 LT2 0.8684
924 4FH 0.8682
925 IUP 0.8682
926 7N0 0.8682
927 CBF 0.8681
928 NIZ 0.8681
929 DTL 0.8680
930 MBD 0.8678
931 0OC 0.8677
932 6JN 0.8676
933 O2A 0.8676
934 CFI 0.8676
935 2CG 0.8676
936 JXN 0.8675
937 2C9 0.8675
938 VXX 0.8674
939 H6B 0.8674
940 3MC 0.8673
941 JZ7 0.8673
942 L3Q 0.8673
943 4XY 0.8671
944 13X 0.8671
945 R9Y 0.8671
946 0GZ 0.8670
947 YHO 0.8670
948 463 0.8669
949 9RH 0.8669
950 Z5P 0.8668
951 FA6 0.8668
952 5QY 0.8667
953 FFP 0.8666
954 J6W 0.8666
955 TVP 0.8665
956 INS 0.8665
957 PQ0 0.8665
958 AOS 0.8663
959 ISE 0.8663
960 94W 0.8662
961 5ZE 0.8661
962 1DV 0.8661
963 3SL 0.8661
964 3AL 0.8660
965 HLD 0.8659
966 LDU 0.8659
967 7A3 0.8656
968 GLL 0.8656
969 APY 0.8655
970 FBU 0.8654
971 R8V 0.8654
972 JU2 0.8654
973 226 0.8654
974 92P 0.8654
975 285 0.8653
976 MJ2 0.8652
977 FBM 0.8651
978 EMZ 0.8650
979 FBB 0.8650
980 DUC 0.8650
981 GAG 0.8650
982 ESI 0.8650
983 X0W 0.8647
984 6ME 0.8647
985 WDL 0.8644
986 AX2 0.8643
987 8EW 0.8642
988 HPY 0.8642
989 RXR 0.8641
990 ECG 0.8639
991 GRO 0.8639
992 CLZ 0.8639
993 3C4 0.8638
994 FGZ 0.8637
995 3FA 0.8637
996 1U1 0.8637
997 FLA 0.8636
998 JDN 0.8636
999 J9Q 0.8636
1000 X0V 0.8636
1001 XQK 0.8636
1002 DX3 0.8635
1003 4VY 0.8634
1004 KYA 0.8633
1005 BZJ 0.8630
1006 K2T 0.8629
1007 44V 0.8629
1008 AX3 0.8623
1009 FLM 0.8622
1010 152 0.8622
1011 5XB 0.8619
1012 TL6 0.8619
1013 MNN 0.8619
1014 NVU 0.8616
1015 PAV 0.8611
1016 4P0 0.8610
1017 67N 0.8610
1018 RMN 0.8610
1019 MLT 0.8610
1020 L99 0.8607
1021 9R5 0.8607
1022 XEN 0.8606
1023 LT3 0.8605
1024 A65 0.8605
1025 PZA 0.8605
1026 M5N 0.8603
1027 MHK 0.8602
1028 GDL 0.8602
1029 DAL DAL 0.8602
1030 86J 0.8601
1031 FXH 0.8600
1032 3MH 0.8600
1033 0V5 0.8600
1034 MT0 0.8598
1035 UY7 0.8597
1036 BNT 0.8596
1037 WTZ 0.8596
1038 HZQ 0.8593
1039 NPY 0.8593
1040 NBE 0.8589
1041 K32 0.8585
1042 0XT 0.8584
1043 F9P 0.8582
1044 CIP 0.8580
1045 40E 0.8578
1046 B24 0.8578
1047 1U5 0.8577
1048 Q02 0.8572
1049 TZE 0.8569
1050 HHT 0.8566
1051 HIS 0.8564
1052 IFG 0.8564
1053 SR4 0.8563
1054 FPY 0.8560
1055 284 0.8555
1056 LER 0.8554
1057 4SX 0.8552
1058 GF4 0.8550
1059 8TW 0.8550
1060 PEA 0.8549
1061 CSN 0.8547
1062 R1X 0.8542
1063 XXP 0.8541
1064 40H 0.8539
1065 HQJ 0.8539
1066 QM1 0.8539
1067 NBG 0.8532
1068 W81 0.8530
1069 URP 0.8524
1070 HQT 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FIT; Ligand: AP2; Similar sites found with APoc: 10
This union binding pocket(no: 1) in the query (biounit: 5fit.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1AV5 AP2 28.5714
2 5RHN 8BR 29.5652
3 3N1S 5GP 31.9328
4 3N1S 5GP 31.9328
5 3N1S 5GP 31.9328
6 3N1S 5GP 31.9328
7 3N1S 5GP 31.9328
8 3N1S 5GP 31.9328
9 3N1S 5GP 31.9328
10 3N1S 5GP 31.9328
Pocket No.: 2; Query (leader) PDB : 5FIT; Ligand: AP2; 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: 5fit.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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