Receptor
PDB id Resolution Class Description Source Keywords
1KCL 1.94 Å EC: 2.4.1.19 BACILLUS CIRUCLANS STRAIN 251 CYCLODEXTRIN GLYCOSYL TRANSFERASE MUTANT G179L BACILLUS CIRCULANS GLYCOSYLTRANSFERASE TRANSFERASE CYCLODEXTRIN
Ref.: THE REMOTE SUBSTRATE BINDING SUBSITE -6 IN CYCLODEXTRIN-GLYCOSYLTRANSFERASE CONTROLS THE TRANSFERASE ACTIVITY OF THE ENZYME VIA AN INDUCED-FIT MECHANISM. J.BIOL.CHEM. V. 277 1113 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC GLC GLC C:1;
Valid;
none;
submit data
504.438 n/a O(C1C...
CA A:1691;
A:1692;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GLC A:1700;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
GLC GLC GLC BGC B:1;
Valid;
none;
submit data
666.579 n/a O(CC1...
MPD A:1701;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@@...
GLC GLC E:1;
D:1;
Valid;
Valid;
none;
none;
submit data
342.297 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CXG 2.5 Å EC: 2.4.1.19 CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED TO THE INHIBITOR BACILLUS CIRCULANS GLYCOSYLTRANSFERASE
Ref.: X-RAY STRUCTURE OF CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED WITH ACARBOSE. IMPLICATIONS FOR THE CATAL MECHANISM OF GLYCOSIDASES. BIOCHEMISTRY V. 34 2234 1995
Members (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1CXH - GLC GLC GLC GLC n/a n/a
2 1CGV - GLC GLC n/a n/a
3 1EO5 - GLC GLC GLC n/a n/a
4 1DTU - GLC GLC n/a n/a
5 1OT1 - BGC GLC GLC GLC n/a n/a
6 1KCL - GLC C6 H12 O6 C([C@@H]1[....
7 1CXI - GLC GLC n/a n/a
8 1D3C - GLC GLC n/a n/a
9 1CGY - GLC GLC n/a n/a
10 1PJ9 - GLC C6 H12 O6 C([C@@H]1[....
11 1EO7 - GLC GLC GLC n/a n/a
12 1CXK - GLC GLC n/a n/a
13 2CXG - GLC G6D ACI GLC n/a n/a
14 1CXE - GLC GLC GLC GLC n/a n/a
15 1KCK - GLC G6D ADH GLC n/a n/a
16 1OT2 - BGC GLC GLC GLC n/a n/a
17 1PEZ - BGC GLC n/a n/a
18 1CDG - GLC GLC n/a n/a
70% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1I75 - NOJ C6 H13 N O4 C1[C@@H]([....
2 1V3M - GAL C6 H12 O6 C([C@@H]1[....
3 1V3L - GLC GLC GLD ACI n/a n/a
4 1UKT ic50 > 5600 uM GAL GLC GLD ACI n/a n/a
5 1UKQ ic50 = 0.33 uM GLC BGC G6D ACI n/a n/a
6 1DED - BGC GLC AC1 n/a n/a
7 1UKS ic50 = 3300 uM GLC GAL GLD ACI n/a n/a
8 1CXH - GLC GLC GLC GLC n/a n/a
9 1CGV - GLC GLC n/a n/a
10 1EO5 - GLC GLC GLC n/a n/a
11 1DTU - GLC GLC n/a n/a
12 1OT1 - BGC GLC GLC GLC n/a n/a
13 1KCL - GLC C6 H12 O6 C([C@@H]1[....
14 1CXI - GLC GLC n/a n/a
15 1D3C - GLC GLC n/a n/a
16 1CGY - GLC GLC n/a n/a
17 1PJ9 - GLC C6 H12 O6 C([C@@H]1[....
18 1EO7 - GLC GLC GLC n/a n/a
19 1CXK - GLC GLC n/a n/a
20 2CXG - GLC G6D ACI GLC n/a n/a
21 1CXE - GLC GLC GLC GLC n/a n/a
22 1KCK - GLC G6D ADH GLC n/a n/a
23 1OT2 - BGC GLC GLC GLC n/a n/a
24 1PEZ - BGC GLC n/a n/a
25 1CDG - GLC GLC n/a n/a
26 3BMW - GLC GLC GLC G6D ACI GLC GLC n/a n/a
27 5CGT - GLC C6 H12 O6 C([C@@H]1[....
28 9CGT - Z9E 4SG GLC 4SG GLC n/a n/a
29 8CGT - 4SG GLC 4SG GLC 4SG GLC n/a n/a
30 1CGU - GLC GLC n/a n/a
31 3CGT - GLC GLC GLC GLC GLC GLC GLC n/a n/a
50% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1I75 - NOJ C6 H13 N O4 C1[C@@H]([....
2 1V3M - GAL C6 H12 O6 C([C@@H]1[....
3 1V3L - GLC GLC GLD ACI n/a n/a
4 1UKT ic50 > 5600 uM GAL GLC GLD ACI n/a n/a
5 1UKQ ic50 = 0.33 uM GLC BGC G6D ACI n/a n/a
6 1DED - BGC GLC AC1 n/a n/a
7 1UKS ic50 = 3300 uM GLC GAL GLD ACI n/a n/a
8 1CXH - GLC GLC GLC GLC n/a n/a
9 1CGV - GLC GLC n/a n/a
10 1EO5 - GLC GLC GLC n/a n/a
11 1DTU - GLC GLC n/a n/a
12 1OT1 - BGC GLC GLC GLC n/a n/a
13 1KCL - GLC C6 H12 O6 C([C@@H]1[....
14 1CXI - GLC GLC n/a n/a
15 1D3C - GLC GLC n/a n/a
16 1CGY - GLC GLC n/a n/a
17 1PJ9 - GLC C6 H12 O6 C([C@@H]1[....
18 1EO7 - GLC GLC GLC n/a n/a
19 1CXK - GLC GLC n/a n/a
20 2CXG - GLC G6D ACI GLC n/a n/a
21 1CXE - GLC GLC GLC GLC n/a n/a
22 1KCK - GLC G6D ADH GLC n/a n/a
23 1OT2 - BGC GLC GLC GLC n/a n/a
24 1PEZ - BGC GLC n/a n/a
25 1CDG - GLC GLC n/a n/a
26 1QHP - GLC GLC n/a n/a
27 1QHO - GLC GLC n/a n/a
28 3BMW - GLC GLC GLC G6D ACI GLC GLC n/a n/a
29 5CGT - GLC C6 H12 O6 C([C@@H]1[....
30 9CGT - Z9E 4SG GLC 4SG GLC n/a n/a
31 8CGT - 4SG GLC 4SG GLC 4SG GLC n/a n/a
32 1CGU - GLC GLC n/a n/a
33 3CGT - GLC GLC GLC GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC GLC GLC; Similar ligands found: 347
No: Ligand ECFP6 Tc MDL keys Tc
1 CT3 1 1
2 DXI 1 1
3 BGC BGC BGC GLC 1 1
4 CE8 1 1
5 MLR 1 1
6 GLC BGC BGC 1 1
7 BGC BGC BGC 1 1
8 CEY 1 1
9 BGC BGC BGC BGC 1 1
10 BMA BMA BMA BMA BMA 1 1
11 MAN BMA BMA BMA BMA BMA 1 1
12 MAN BMA BMA 1 1
13 BGC BGC BGC BGC BGC BGC BGC BGC BGC 1 1
14 GLA GAL BGC 1 1
15 BMA BMA BMA BMA BMA BMA 1 1
16 CTT 1 1
17 BGC GLC GLC 1 1
18 MAN BMA BMA BMA BMA 1 1
19 GLC BGC BGC BGC 1 1
20 BGC GLC GLC GLC GLC 1 1
21 GLC GLC GLC GLC GLC GLC GLC GLC GLC 1 1
22 GLC GAL GAL 1 1
23 CE5 1 1
24 MAN MAN BMA BMA BMA BMA 1 1
25 CTR 1 1
26 BGC GLC GLC GLC GLC GLC GLC 1 1
27 MT7 1 1
28 MTT 1 1
29 GLC BGC GLC 1 1
30 GAL GAL GAL 1 1
31 GLC BGC BGC BGC BGC 1 1
32 BMA MAN BMA 1 1
33 BMA BMA BMA 1 1
34 BGC BGC GLC 1 1
35 GLC GLC GLC GLC GLC 1 1
36 GLC BGC BGC BGC BGC BGC 1 1
37 BGC GLC GLC GLC 1 1
38 GLA GAL GLC 1 1
39 B4G 1 1
40 CEX 1 1
41 CE6 1 1
42 MAB 0.909091 1
43 CBK 0.909091 1
44 MAL 0.909091 1
45 BMA GAL 0.909091 1
46 BGC GAL 0.909091 1
47 LBT 0.909091 1
48 N9S 0.909091 1
49 BGC BMA 0.909091 1
50 GLC GAL 0.909091 1
51 GAL BGC 0.909091 1
52 LAT 0.909091 1
53 CBI 0.909091 1
54 BMA BMA 0.909091 1
55 B2G 0.909091 1
56 BGC BGC BGC BGC BGC BGC BGC BGC 0.830189 1
57 LAT GLA 0.765957 1
58 BMA BMA BMA GLA BMA 0.758621 1
59 BMA BMA GLA BMA BMA 0.758621 1
60 GLA GAL GAL 0.754717 1
61 GLC GLC GLC BGC 0.741379 1
62 BMA BMA BMA BMA 0.672414 0.941176
63 MMA MAN 0.653846 0.942857
64 DR5 0.653846 0.942857
65 NGA GAL BGC 0.650794 0.733333
66 GLA EGA 0.648148 0.942857
67 BGC BGC BGC XYS BGC BGC 0.647059 0.942857
68 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.647059 0.942857
69 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.647059 0.942857
70 XYT 0.637931 0.767442
71 ABD 0.637681 0.75
72 BMA BMA MAN GLA GLA 0.633333 1
73 GAL NGA GLA BGC GAL 0.628571 0.733333
74 GLC GLC XYP 0.622951 1
75 GLA GAL BGC 5VQ 0.62069 0.891892
76 G2F BGC BGC BGC BGC BGC 0.616667 0.868421
77 BGC BGC XYS BGC 0.61194 0.942857
78 MAL EDO 0.607143 0.942857
79 U63 0.6 0.891892
80 BGC BGC BGC XYS GAL 0.6 0.942857
81 NGA GLA GAL BGC 0.591549 0.733333
82 GLA GAL GLC NBU 0.590164 0.846154
83 NGR 0.584906 1
84 MAN GLC 0.584906 1
85 GLA GLA 0.584906 1
86 GLC GLC 0.584906 1
87 LB2 0.584906 1
88 GLA GAL 0.584906 1
89 M3M 0.584906 1
90 GLC BGC 0.584906 1
91 BGC BGC BGC FRU 0.580645 0.868421
92 GLC GAL NAG GAL 0.577465 0.733333
93 LAT NAG GAL 0.577465 0.733333
94 BGC GLA GAL FUC 0.573529 0.970588
95 OXZ BGC BGC 0.571429 0.6875
96 G3I 0.571429 0.767442
97 8B7 0.571429 0.970588
98 GAL FUC 0.571429 0.941176
99 GLC GLC G6D ACI GLC GLC GLC 0.571429 0.733333
100 G2I 0.571429 0.767442
101 BGC GAL NAG GAL 0.571429 0.733333
102 FUC GAL GLC 0.571429 0.970588
103 GLC GAL FUC 0.571429 0.970588
104 LAT FUC 0.571429 0.970588
105 FUC GAL GLC BGC 0.571429 0.970588
106 BGC GAL FUC 0.571429 0.970588
107 GAL NAG GAL GLC 0.571429 0.733333
108 BGC GLC 0.566038 1
109 BMA MAN 0.566038 1
110 2M4 0.566038 1
111 BQZ 0.56 0.909091
112 GLC GLC XYS 0.553846 0.970588
113 GLO GLC GLC GLC 0.545455 0.970588
114 BGC BGC BGC XYS BGC XYS GAL 0.545455 0.942857
115 LAG 0.545455 0.6
116 SOR GLC GLC GLC 0.545455 0.970588
117 GAL BGC BGC BGC XYS BGC XYS 0.545455 0.942857
118 GLC GLC ACI G6D GLC GLC 0.54321 0.702128
119 GLC GLC DAF BGC 0.54321 0.702128
120 AAO 0.54321 0.733333
121 ACR GLC GLC GLC 0.54321 0.702128
122 ARE 0.54321 0.733333
123 XYS BGC BGC XYS BGC XYS BGC GAL XYS BGC BGC 0.54321 0.942857
124 GLC GLC AGL HMC GLC 0.54321 0.702128
125 GLC BGC BGC XYS BGC XYS XYS 0.541667 0.942857
126 BGC BGC BGC XYS BGC XYS XYS 0.541667 0.942857
127 XYS BGC BGC XYS BGC XYS BGC 0.541667 0.942857
128 XYS BGC BGC XYS BGC BGC XYS 0.541667 0.942857
129 BGC BGC XYS BGC XYS BGC XYS 0.541667 0.942857
130 5GO 0.540984 0.66
131 NLC 0.540984 0.733333
132 GAL NDG 0.540984 0.733333
133 GAL BGC BGC XYS 0.536232 0.942857
134 GLC GLC BGC 0.534483 1
135 GLC GLC GLC 0.534483 1
136 DEL 0.534483 0.970588
137 GLC GLC GLC GLC 0.534483 1
138 GLC BGC BGC BGC BGC BGC BGC 0.534483 1
139 BGC BGC BGC GLC BGC BGC 0.534483 1
140 BGC BGC BGC BGC BGC BGC 0.534483 1
141 MVP 0.533333 0.733333
142 SGA BGC 0.532258 0.66
143 TRE 0.531915 1
144 BGC BGC 0.526316 0.914286
145 LMU 0.523077 0.785714
146 LMT 0.523077 0.785714
147 DMU 0.523077 0.785714
148 UMQ 0.523077 0.785714
149 NAG GAL BGC 0.521127 0.733333
150 GLC G6D ADH GLC 0.519481 0.733333
151 GLC G6D ACI GLC 0.519481 0.733333
152 GLC ACI GLD GLC 0.519481 0.733333
153 GLC ACI G6D BGC 0.519481 0.733333
154 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.518519 0.942857
155 GAL BGC BGC BGC XYS XYS 0.518519 0.942857
156 GAL XYS BGC BGC XYS XYS BGC GAL BGC 0.518519 0.942857
157 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.518519 0.942857
158 GLC BGC BGC XYS BGC XYS XYS GAL 0.518519 0.942857
159 XYS BGC GAL BGC BGC BGC XYS GAL XYS 0.518519 0.942857
160 GAL XYS XYS BGC BGC XYS BGC BGC 0.518519 0.942857
161 XYS GAL GLC BGC BGC XYS BGC XYS 0.518519 0.942857
162 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.518519 0.942857
163 BMA MAN MAN MAN 0.516129 1
164 FUC BGC GAL 0.515625 0.970588
165 FUC GLC BGC GAL 0.515625 0.970588
166 SOR GLC GLC 0.515152 0.970588
167 RCB 0.514286 0.622642
168 GAL BGC NAG GAL 0.513889 0.733333
169 GLA MBG 0.509091 0.942857
170 DAF BGC GLC 0.506667 0.733333
171 ACI GLD GLC GAL 0.506667 0.733333
172 DAF GLC GLC 0.506667 0.733333
173 6UZ 0.5 0.846154
174 TXT 0.5 0.767442
175 MAN MAN BMA 0.5 1
176 GAC 0.5 0.767442
177 BMA BMA MAN 0.5 1
178 GAL BGC NAG NAG GAL GAL 0.493976 0.6875
179 GLC ACI G6D GLC 0.493827 0.702128
180 GLC ACI GLD GAL 0.493827 0.702128
181 QV4 0.493827 0.733333
182 BGC BGC BGC BGC BGC BGC BGC 0.491803 1
183 BGC BGC BGC BGC BGC 0.491803 1
184 GLC GLC GLC PO4 SGC GLC 0.487805 0.66
185 NPJ 0.485714 0.622642
186 MAN BMA MAN 0.484375 1
187 MAN MAN MAN 0.484375 1
188 ACR 0.481013 0.733333
189 QPS 0.481013 0.733333
190 4MU BGC BGC BGC BGC 0.480519 0.767442
191 GAL NAG MAN 0.478873 0.733333
192 BGC BGC XYS BGC XYS XYS GAL 0.47561 0.942857
193 DOM 0.474576 0.942857
194 GLO GLC GLC 0.472222 0.942857
195 10M 0.471429 0.733333
196 GLA GAL NAG 0.471429 0.733333
197 MAN BMA NAG 0.471429 0.733333
198 GAL GAL SO4 0.469697 0.66
199 8VZ 0.46875 0.673469
200 FMO 0.467742 0.868421
201 4MU BGC BGC 0.467532 0.767442
202 BGC BGC SGC MGL 0.465753 0.868421
203 MGL SGC GLC GLC 0.465753 0.868421
204 MGL SGC BGC BGC 0.465753 0.868421
205 CM5 0.465753 0.891892
206 ACR GLC GLC GLC GLC 0.4625 0.702128
207 ACR GLC 0.4625 0.702128
208 BGC BGC XYS XYS GAL 0.4625 0.942857
209 NAG GAL GAL NAG GAL 0.460526 0.6875
210 CGC 0.460317 0.941176
211 MA4 0.459459 0.891892
212 5QP 0.459016 0.885714
213 BGC GLC AC1 GLC GLC GLC AC1 0.457831 0.702128
214 ACI G6D GLC ACI G6D BGC 0.457831 0.702128
215 DAF GLC DAF GLC GLC 0.457831 0.702128
216 ACI GLD GLC ACI G6D BGC 0.457831 0.702128
217 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.457831 0.702128
218 AC1 GLC AC1 BGC 0.457831 0.702128
219 MDM 0.457627 0.942857
220 M13 0.457627 0.942857
221 MAN MMA 0.457627 0.942857
222 GAL MBG 0.457627 0.942857
223 RZM 0.457627 0.688889
224 LSE 0.457143 0.6875
225 GLA GAL NAG FUC GAL GLC 0.454545 0.717391
226 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.453488 0.653061
227 GTM BGC BGC 0.450704 0.868421
228 MAN MAN BMA MAN 0.449275 1
229 MAN MAN MAN MAN 0.449275 1
230 ACG 0.448276 0.695652
231 NAG BMA 0.447761 0.653061
232 GAL GLC NAG GAL FUC 0.447059 0.717391
233 FUC GAL NAG GAL BGC 0.447059 0.717391
234 GLC NAG GAL GAL FUC 0.447059 0.717391
235 GAL A2G 0.446154 0.733333
236 GAL NAG 0.446154 0.733333
237 GAL NGA 0.446154 0.733333
238 NAG GAL 0.446154 0.733333
239 BMA MAN MAN MAN MAN 0.444444 1
240 M5S 0.442857 1
241 MAN BMA MAN MAN MAN 0.442857 1
242 NAG GAL GAL NAG 0.441558 0.6875
243 GAL NAG GAL NAG GAL NAG 0.441558 0.673469
244 MAN MAN MAN GLC 0.441176 1
245 GAL GAL 0.440678 1
246 GAL GLC 0.440678 1
247 LAK 0.440678 1
248 MAN BMA 0.440678 1
249 MLB 0.440678 1
250 MAN MAN 0.440678 1
251 GLA GLC 0.440678 1
252 BMA GLA 0.440678 1
253 BGC GLA 0.440678 1
254 GLA BGC 0.440678 1
255 GLA BMA 0.440678 1
256 DAF GLC 0.44 0.733333
257 DAF BGC 0.44 0.733333
258 BGC SGC BGC SGC BGC SGC BGC SGC 0.438356 0.916667
259 TM6 0.438356 0.916667
260 ABL 0.4375 0.702128
261 FRU GAL 0.435484 0.842105
262 BMA FRU 0.435484 0.842105
263 W9T 0.435484 0.842105
264 FUC GLA GLA 0.432836 0.970588
265 FUC GAL GLA 0.432836 0.970588
266 GAL GAL FUC 0.432836 0.970588
267 GLA GAL FUC 0.432836 0.970588
268 GLA GLA FUC 0.432836 0.970588
269 GLF B8D 0.428571 0.775
270 BGC OXZ 0.428571 0.666667
271 IFM BGC 0.428571 0.711111
272 VAM 0.428571 0.868421
273 IFM BMA 0.428571 0.711111
274 A2G GAL GLC FUC 0.428571 0.717391
275 ISX 0.428571 0.761905
276 BMA IFM 0.428571 0.711111
277 9MR 0.428571 0.744186
278 A2G GAL BGC FUC 0.428571 0.717391
279 7SA 0.426966 0.702128
280 GLC GAL NAG GAL FUC FUC 0.426966 0.702128
281 BGC GAL NAG GAL FUC FUC 0.426966 0.702128
282 MAN MAN MAN BMA MAN 0.426667 1
283 A2G GAL 0.426471 0.653061
284 GLC GLC GLC GLC BGC 0.42623 1
285 BMA MAN MAN 0.42623 1
286 GLC GLC GLC GLC GLC BGC 0.42623 1
287 GLC DMJ 0.421875 0.695652
288 NOJ GLC 0.421875 0.695652
289 MAN MNM 0.421875 0.702128
290 NOY BGC 0.421875 0.702128
291 PA1 GCS 0.419355 0.767442
292 GCS GCS 0.419355 0.767442
293 3SA 0.417722 0.733333
294 HMC AGL GLC 0.417722 0.717391
295 GAL 0.416667 0.848485
296 ALL 0.416667 0.848485
297 GXL 0.416667 0.848485
298 MAN 0.416667 0.848485
299 GIV 0.416667 0.848485
300 GLA 0.416667 0.848485
301 GLC 0.416667 0.848485
302 BGC 0.416667 0.848485
303 6SA 0.416667 0.733333
304 WOO 0.416667 0.848485
305 BMA 0.416667 0.848485
306 XZZ BGC BGC 0.416667 0.702128
307 BGC GLC AC1 GLC AC1 0.41573 0.702128
308 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.41573 0.673469
309 3SA 3SA 0.41573 0.702128
310 HSD G6D GLC HSD G6D GLC GLC 0.41573 0.673469
311 ACI G6D GLC ACI G6D GLC GLC 0.41573 0.673469
312 HSD G6D GLC HSD G6D GLC BGC 0.41573 0.673469
313 GAL NAG GAL 0.415584 0.702128
314 GCS GCS GCS GCS GCS 0.415385 0.767442
315 GCS GCS GCS 0.415385 0.767442
316 GCS GCS GCS GCS GCS GCS GCS GCS 0.415385 0.804878
317 GCS GCS GCS GCS GCS GCS 0.415385 0.767442
318 P3M 0.414286 0.767442
319 MAN DGO 0.412698 0.914286
320 AGL GLC HMC AGL GLC BGC 0.411111 0.653061
321 NAG NAG BMA 0.410256 0.634615
322 NAG NDG BMA 0.410256 0.634615
323 T6P 0.409836 0.767442
324 MAN G63 0.409091 0.653061
325 GDQ GLC 0.409091 0.666667
326 FUC BGC GAL NAG GAL 0.409091 0.717391
327 MMA 0.403846 0.857143
328 AMG 0.403846 0.857143
329 GYP 0.403846 0.857143
330 MBG 0.403846 0.857143
331 MAN 7D1 0.403226 0.888889
332 GAL MGC 0.402985 0.702128
333 BGC BGC XYS BGC XYS GAL 0.4 0.916667
334 A2G GAL NAG FUC GAL GLC 0.4 0.673469
335 MAN MAN MAN MAN MAN MAN MAN 0.4 1
336 RIB 0.4 0.742857
337 FUB 0.4 0.742857
338 GLC GAL NAG GAL FUC A2G 0.4 0.673469
339 FUC NDG GAL 0.4 0.717391
340 A2G MBG 0.4 0.702128
341 MBG A2G 0.4 0.702128
342 Z6J 0.4 0.742857
343 FUC NAG GAL 0.4 0.717391
344 AHR 0.4 0.742857
345 BDR 0.4 0.742857
346 32O 0.4 0.742857
347 GAL NDG FUC 0.4 0.717391
Ligand no: 2; Ligand: GLC; Similar ligands found: 143
No: Ligand ECFP6 Tc MDL keys Tc
1 ALL 1 1
2 WOO 1 1
3 BMA 1 1
4 GAL 1 1
5 MAN 1 1
6 BGC 1 1
7 GIV 1 1
8 GXL 1 1
9 GLC 1 1
10 GLA 1 1
11 RIB 0.653846 0.866667
12 32O 0.653846 0.866667
13 BDR 0.653846 0.866667
14 AHR 0.653846 0.866667
15 Z6J 0.653846 0.866667
16 FUB 0.653846 0.866667
17 GLA BMA 0.511628 0.848485
18 GLA BGC 0.511628 0.848485
19 MAN MAN 0.511628 0.848485
20 GAL GLC 0.511628 0.848485
21 GLA GLC 0.511628 0.848485
22 BGC GLA 0.511628 0.848485
23 MLB 0.511628 0.848485
24 BMA GLA 0.511628 0.848485
25 LAK 0.511628 0.848485
26 GAL GAL 0.511628 0.848485
27 MAN BMA 0.511628 0.848485
28 YDR 0.5 0.8
29 GLC GLC GLC GLC BGC 0.488889 0.848485
30 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
31 BMA MAN MAN 0.488889 0.848485
32 EMZ 0.472222 0.794118
33 G6P 0.461538 0.675
34 BGP 0.461538 0.675
35 M6P 0.461538 0.675
36 A6P 0.461538 0.675
37 BG6 0.461538 0.675
38 M6D 0.461538 0.675
39 G2F 0.457143 0.875
40 1GN 0.457143 0.777778
41 95Z 0.457143 0.777778
42 SHG 0.457143 0.875
43 2FG 0.457143 0.875
44 X6X 0.457143 0.777778
45 GCS 0.457143 0.777778
46 PA1 0.457143 0.777778
47 2H5 0.457143 0.875
48 G3F 0.457143 0.875
49 GAF 0.457143 0.875
50 GLA GAL 0.454545 0.848485
51 LB2 0.454545 0.848485
52 CBK 0.454545 0.848485
53 MAL 0.454545 0.848485
54 GLC GLC 0.454545 0.848485
55 MAB 0.454545 0.848485
56 LBT 0.454545 0.848485
57 GLA GLA 0.454545 0.848485
58 BGC GAL 0.454545 0.848485
59 N9S 0.454545 0.848485
60 GLC GAL 0.454545 0.848485
61 GAL BGC 0.454545 0.848485
62 M3M 0.454545 0.848485
63 B2G 0.454545 0.848485
64 GLC BGC 0.454545 0.848485
65 CBI 0.454545 0.848485
66 BGC BMA 0.454545 0.848485
67 LAT 0.454545 0.848485
68 BMA BMA 0.454545 0.848485
69 BMA GAL 0.454545 0.848485
70 MAN GLC 0.454545 0.848485
71 NGR 0.454545 0.848485
72 GLC SGC 0.444444 0.8
73 TCB 0.444444 0.8
74 3MG 0.444444 0.875
75 YIO 0.441176 0.870968
76 2GS 0.432432 0.875
77 2M4 0.431818 0.848485
78 BMA MAN 0.431818 0.848485
79 BGC GLC 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 CE8 0.416667 0.848485
84 CE6 0.416667 0.848485
85 BGC GLC GLC GLC 0.416667 0.848485
86 GLA GAL BGC 0.416667 0.848485
87 BGC BGC BGC GLC 0.416667 0.848485
88 MLR 0.416667 0.848485
89 BGC BGC GLC 0.416667 0.848485
90 MTT 0.416667 0.848485
91 GLC GLC GLC GLC GLC 0.416667 0.848485
92 B4G 0.416667 0.848485
93 GAL FUC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BMA BMA BMA 0.416667 0.848485
96 CTR 0.416667 0.848485
97 GLA GAL GLC 0.416667 0.848485
98 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
99 BMA MAN BMA 0.416667 0.848485
100 GAL GAL GAL 0.416667 0.848485
101 GLC BGC GLC 0.416667 0.848485
102 MAN BMA BMA 0.416667 0.848485
103 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC GLC 0.416667 0.848485
105 MAN BMA BMA BMA BMA 0.416667 0.848485
106 CE5 0.416667 0.848485
107 BGC GLC GLC 0.416667 0.848485
108 CTT 0.416667 0.848485
109 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
110 CEY 0.416667 0.848485
111 GLC GAL GAL 0.416667 0.848485
112 DXI 0.416667 0.848485
113 CT3 0.416667 0.848485
114 GLC BGC BGC 0.416667 0.848485
115 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
116 GLC BGC BGC BGC BGC 0.416667 0.848485
117 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
118 BMA BMA BMA BMA BMA 0.416667 0.848485
119 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
120 MT7 0.416667 0.848485
121 CEX 0.416667 0.848485
122 BGC BGC BGC BGC 0.416667 0.848485
123 GLC BGC BGC BGC 0.416667 0.848485
124 BGC BGC BGC 0.416667 0.848485
125 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
126 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
127 GLC GLC GLC GLC 0.408163 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 GLC GLC BGC 0.408163 0.848485
130 GLC GLC GLC 0.408163 0.848485
131 SGC SGC BGC 0.408163 0.8
132 BGC BGC BGC BGC BGC BGC 0.408163 0.848485
133 TRE 0.405405 0.848485
134 1LL 0.405405 0.771429
135 TDG 0.405405 0.771429
136 BM3 0.404762 0.7
137 NDG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 NGA 0.404762 0.7
141 NAG 0.404762 0.7
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
143 FUB AHR AHR 0.4 0.764706
Ligand no: 3; Ligand: GLC GLC GLC BGC; Similar ligands found: 246
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC BGC 1 1
2 BMA BMA BMA GLA BMA 0.825397 1
3 BMA BMA GLA BMA BMA 0.825397 1
4 GLC BGC BGC BGC 0.741379 1
5 CE6 0.741379 1
6 BMA MAN BMA 0.741379 1
7 BMA BMA BMA BMA BMA 0.741379 1
8 DXI 0.741379 1
9 BGC BGC GLC 0.741379 1
10 BGC GLC GLC GLC 0.741379 1
11 MAN MAN BMA BMA BMA BMA 0.741379 1
12 MAN BMA BMA BMA BMA 0.741379 1
13 B4G 0.741379 1
14 MAN BMA BMA BMA BMA BMA 0.741379 1
15 GLC BGC BGC 0.741379 1
16 BGC GLC GLC GLC GLC 0.741379 1
17 GLC BGC BGC BGC BGC BGC 0.741379 1
18 BMA BMA BMA BMA BMA BMA 0.741379 1
19 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.741379 1
20 MAN BMA BMA 0.741379 1
21 BGC BGC BGC GLC 0.741379 1
22 CT3 0.741379 1
23 BGC GLC GLC GLC GLC GLC GLC 0.741379 1
24 MT7 0.741379 1
25 GLA GAL BGC 0.741379 1
26 BGC BGC BGC BGC 0.741379 1
27 BGC BGC BGC 0.741379 1
28 CE8 0.741379 1
29 GLC BGC BGC BGC BGC 0.741379 1
30 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.741379 1
31 MLR 0.741379 1
32 CEY 0.741379 1
33 GLC GLC GLC GLC GLC 0.741379 1
34 GLC BGC GLC 0.741379 1
35 MTT 0.741379 1
36 BMA BMA BMA 0.741379 1
37 CEX 0.741379 1
38 GLA GAL GLC 0.741379 1
39 CTT 0.741379 1
40 GAL GAL GAL 0.741379 1
41 GLC GAL GAL 0.741379 1
42 BGC GLC GLC 0.741379 1
43 CE5 0.741379 1
44 CTR 0.741379 1
45 BMA BMA MAN GLA GLA 0.707692 1
46 BGC BGC XYS BGC 0.704225 0.942857
47 GLC GAL 0.672414 1
48 LBT 0.672414 1
49 CBK 0.672414 1
50 CBI 0.672414 1
51 B2G 0.672414 1
52 GAL BGC 0.672414 1
53 BGC BMA 0.672414 1
54 MAL 0.672414 1
55 BMA GAL 0.672414 1
56 MAB 0.672414 1
57 N9S 0.672414 1
58 BGC GAL 0.672414 1
59 BMA BMA 0.672414 1
60 LAT 0.672414 1
61 BGC BGC BGC BGC BGC BGC BGC BGC 0.641791 1
62 GLC GLC GLC GLC GLC BGC 0.639344 1
63 BMA MAN MAN 0.639344 1
64 GLC GLC GLC GLC BGC 0.639344 1
65 GLA BGC 0.633333 1
66 BMA GLA 0.633333 1
67 GAL GAL 0.633333 1
68 GLA GLC 0.633333 1
69 MAN MAN 0.633333 1
70 MAN BMA 0.633333 1
71 MLB 0.633333 1
72 BGC GLA 0.633333 1
73 LAK 0.633333 1
74 GAL GLC 0.633333 1
75 GLA BMA 0.633333 1
76 BGC BGC BGC XYS BGC XYS XYS 0.631579 0.942857
77 GLC BGC BGC XYS BGC XYS XYS 0.631579 0.942857
78 XYS BGC BGC XYS BGC BGC XYS 0.631579 0.942857
79 XYS BGC BGC XYS BGC XYS BGC 0.631579 0.942857
80 BGC BGC XYS BGC XYS BGC XYS 0.631579 0.942857
81 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.623377 0.942857
82 BGC BGC BGC XYS BGC BGC 0.623377 0.942857
83 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.623377 0.942857
84 MAN MAN MAN 0.61194 1
85 XYT 0.61194 0.767442
86 MAN BMA MAN 0.61194 1
87 XYS BGC BGC XYS BGC XYS BGC GAL XYS BGC BGC 0.604651 0.942857
88 MAN MAN BMA MAN 0.591549 1
89 MAN MAN MAN MAN 0.591549 1
90 GLA GAL GAL 0.58209 1
91 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.581395 0.942857
92 GAL XYS XYS BGC BGC XYS BGC BGC 0.581395 0.942857
93 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.581395 0.942857
94 GAL XYS BGC BGC XYS XYS BGC GAL BGC 0.581395 0.942857
95 XYS BGC GAL BGC BGC BGC XYS GAL XYS 0.581395 0.942857
96 XYS GAL GLC BGC BGC XYS BGC XYS 0.581395 0.942857
97 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.581395 0.942857
98 GLC BGC BGC XYS BGC XYS XYS GAL 0.581395 0.942857
99 GAL BGC BGC BGC XYS XYS 0.581395 0.942857
100 LAT GLA 0.57377 1
101 BGC BGC BGC XYS GAL 0.5625 0.942857
102 MAN BMA MAN MAN MAN 0.561644 1
103 M5S 0.561644 1
104 BMA BMA BMA BMA 0.549296 0.941176
105 AHR AHR AHR AHR AHR AHR 0.548387 0.857143
106 FUB AHR AHR 0.548387 0.857143
107 GLA EGA 0.545455 0.942857
108 GAL BGC NAG GAL 0.544304 0.733333
109 BGC BGC XYS BGC XYS XYS GAL 0.54023 0.942857
110 NGA GAL BGC 0.539474 0.733333
111 ABD 0.536585 0.75
112 BGC BGC BGC XYS BGC XYS GAL 0.534884 0.942857
113 GAL BGC BGC BGC XYS BGC XYS 0.534884 0.942857
114 BGC BGC XYS XYS GAL 0.529412 0.942857
115 GLA GAL BGC 5VQ 0.528571 0.891892
116 FUB AHR 0.52459 0.857143
117 AHR AHR 0.52459 0.857143
118 MAN MAN MAN MAN MAN MAN MAN 0.52439 1
119 GAL BGC NAG NAG GAL GAL 0.522222 0.6875
120 MAL EDO 0.514706 0.942857
121 GAL NGA GLA BGC GAL 0.511905 0.733333
122 MAN MMA MAN 0.506849 0.942857
123 GLA GAL GLC NBU 0.506849 0.846154
124 GAL BGC BGC XYS 0.506329 0.942857
125 NAG BMA MAN MAN MAN MAN MAN 0.505376 0.733333
126 DR5 0.5 0.942857
127 MAN MAN MAN BMA MAN 0.5 1
128 MMA MAN 0.5 0.942857
129 GLC GLC XYP 0.493333 1
130 6SA 0.49 0.733333
131 NAG NAG BMA MAN MAN 0.48913 0.6875
132 G2F BGC BGC BGC BGC BGC 0.486486 0.868421
133 NGA GLA GAL BGC 0.482353 0.733333
134 BGC GAL FUC 0.473684 0.970588
135 GLC GAL FUC 0.473684 0.970588
136 LAT FUC 0.473684 0.970588
137 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.473684 0.733333
138 FUC GAL GLC BGC 0.473684 0.970588
139 8B7 0.473684 0.970588
140 FUC GAL GLC 0.473684 0.970588
141 GLC GLC G6D ACI GLC GLC GLC 0.472527 0.733333
142 GLC GAL NAG GAL 0.470588 0.733333
143 LAT NAG GAL 0.470588 0.733333
144 NAG BMA MAN MAN MAN MAN MAN MAN 0.46875 0.733333
145 BGC BGC XYS BGC XYS GAL 0.466667 0.916667
146 BGC GAL NAG GAL 0.464286 0.733333
147 GAL NAG GAL GLC 0.464286 0.733333
148 U63 0.463768 0.891892
149 BGC GLA GAL FUC 0.463415 0.970588
150 BMA MAN MAN MAN MAN 0.4625 1
151 BGC BGC BGC FRU 0.460526 0.868421
152 DEL 0.457143 0.970588
153 1GN ACY GAL ACY 1GN BGC GAL BGC 0.456522 0.6875
154 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.456522 0.6875
155 LMT 0.454545 0.785714
156 LMU 0.454545 0.785714
157 UMQ 0.454545 0.785714
158 G3I 0.454545 0.767442
159 OXZ BGC BGC 0.454545 0.6875
160 DMU 0.454545 0.785714
161 G2I 0.454545 0.767442
162 IAB 0.453608 0.733333
163 GLC GLC DAF BGC 0.452632 0.702128
164 AAO 0.452632 0.733333
165 ARE 0.452632 0.733333
166 GLC GLC AGL HMC GLC 0.452632 0.702128
167 GLC GLC ACI G6D GLC GLC 0.452632 0.702128
168 ACR GLC GLC GLC 0.452632 0.702128
169 BMA NGT MAN MAN 0.450549 0.66
170 RAF 0.448718 0.891892
171 GLA GLC FRU 0.448718 0.891892
172 NGR 0.447761 1
173 M3M 0.447761 1
174 GLC BGC 0.447761 1
175 MAN GLC 0.447761 1
176 GLA GLA 0.447761 1
177 GLC GLC 0.447761 1
178 LB2 0.447761 1
179 GLA GAL 0.447761 1
180 WZ3 0.444444 0.916667
181 MAN MAN MAN BMA MAN MAN MAN 0.444444 0.942857
182 SUC GLA GLA 0.443038 0.891892
183 STW 0.443038 0.891892
184 SUC GLA GLA GLA 0.443038 0.891892
185 GLC GLC XYS 0.443038 0.970588
186 GAL FUC 0.442857 0.941176
187 NAG BMA MAN MAN MAN MAN 0.44086 0.733333
188 SGA BGC 0.44 0.66
189 MVP 0.438356 0.733333
190 LAG 0.4375 0.6
191 SOR GLC GLC GLC 0.4375 0.970588
192 6UZ 0.4375 0.846154
193 GLO GLC GLC GLC 0.4375 0.970588
194 GLC GLC GLC PO4 SGC GLC 0.43617 0.66
195 NBG BGC BGC XYS BGC XYS XYS 0.434783 0.702128
196 BGC GLC 0.432836 1
197 2M4 0.432836 1
198 BMA MAN 0.432836 1
199 M5G 0.432692 0.6875
200 DAF GLC GLC 0.431818 0.733333
201 ACI GLD GLC GAL 0.431818 0.733333
202 DAF BGC GLC 0.431818 0.733333
203 GLC G6D ADH GLC 0.428571 0.733333
204 GLC ACI G6D BGC 0.428571 0.733333
205 GAL GAL SO4 0.428571 0.66
206 GLC G6D ACI GLC 0.428571 0.733333
207 GLC ACI GLD GLC 0.428571 0.733333
208 GAC 0.426966 0.767442
209 TXT 0.426966 0.767442
210 GAL NDG 0.426667 0.733333
211 5GO 0.426667 0.66
212 NLC 0.426667 0.733333
213 QV4 0.425532 0.733333
214 GLC Z9N 0.424658 0.842105
215 NAG GAL BGC 0.423529 0.733333
216 BQZ 0.421875 0.909091
217 LSE 0.419753 0.6875
218 GLC BGC BGC BGC BGC BGC BGC 0.416667 1
219 GLC GLC BGC 0.416667 1
220 BGC BGC BGC BGC BGC BGC 0.416667 1
221 SUC GLA 0.416667 0.891892
222 GLC GLC GLC 0.416667 1
223 BGC BGC BGC GLC BGC BGC 0.416667 1
224 GLC GLC GLC GLC 0.416667 1
225 RCB 0.416667 0.622642
226 QPS 0.413043 0.733333
227 ACR 0.413043 0.733333
228 SOR GLC GLC 0.4125 0.970588
229 CM5 0.411765 0.891892
230 4MU BGC BGC BGC BGC 0.411111 0.767442
231 GLC ACI GLD GAL 0.410526 0.702128
232 GLC ACI G6D GLC 0.410526 0.702128
233 FUC GLC BGC GAL 0.410256 0.970588
234 FUC BGC GAL 0.410256 0.970588
235 NGB 0.409639 0.622642
236 BGC BGC 0.408451 0.914286
237 BMA MAN MAN MAN 0.407895 1
238 MA4 0.406977 0.891892
239 NAG MAN BMA MAN NAG GAL 0.405941 0.6875
240 NAG NAG BMA MAN MAN MAN MAN 0.40367 0.634615
241 NAG MAN MAN 0.402299 0.733333
242 NAG BMA MAN MAN NAG GAL NAG GAL 0.401961 0.673469
243 MAN BMA NAG NAG MAN NAG GAL GAL 0.401961 0.673469
244 NAG MAN MAN MAN NAG GAL NAG GAL 0.401961 0.673469
245 P3M 0.4 0.767442
246 4MU BGC BGC 0.4 0.767442
Ligand no: 4; Ligand: GLC GLC; Similar ligands found: 271
No: Ligand ECFP6 Tc MDL keys Tc
1 M3M 1 1
2 LB2 1 1
3 GLA GLA 1 1
4 MAN GLC 1 1
5 GLC BGC 1 1
6 GLC GLC 1 1
7 NGR 1 1
8 GLA GAL 1 1
9 BGC BGC BGC BGC BGC BGC 0.888889 1
10 GLC BGC BGC BGC BGC BGC BGC 0.888889 1
11 BGC BGC BGC GLC BGC BGC 0.888889 1
12 GLC GLC BGC 0.888889 1
13 GLC GLC GLC GLC 0.888889 1
14 GLC GLC GLC 0.888889 1
15 BMA MAN MAN MAN 0.764706 1
16 MAN MAN MAN 0.685185 1
17 MAN BMA MAN 0.685185 1
18 P3M 0.666667 0.767442
19 GAL GAL SO4 0.660714 0.66
20 BQZ 0.644444 0.909091
21 CGC 0.62963 0.941176
22 GLA GAL GAL 0.618182 1
23 MAN BMA MAN MAN MAN 0.616667 1
24 M5S 0.616667 1
25 2M4 0.612245 1
26 BGC GLC 0.612245 1
27 BMA MAN 0.612245 1
28 GAL MBG 0.607843 0.942857
29 M13 0.607843 0.942857
30 MAN MMA 0.607843 0.942857
31 MDM 0.607843 0.942857
32 BGC BGC BGC BGC BGC BGC BGC BGC 0.603448 1
33 GLC GAL 0.6 1
34 BGC BMA 0.6 1
35 N9S 0.6 1
36 CBI 0.6 1
37 GAL BGC 0.6 1
38 BMA BMA 0.6 1
39 LBT 0.6 1
40 BGC GAL 0.6 1
41 CBK 0.6 1
42 LAT 0.6 1
43 B2G 0.6 1
44 MAB 0.6 1
45 MAL 0.6 1
46 BMA GAL 0.6 1
47 MAN BMA BMA 0.584906 1
48 BMA BMA BMA BMA BMA 0.584906 1
49 MTT 0.584906 1
50 CE6 0.584906 1
51 GAL GAL GAL 0.584906 1
52 BMA BMA BMA BMA BMA BMA 0.584906 1
53 B4G 0.584906 1
54 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.584906 1
55 BGC BGC GLC 0.584906 1
56 MLR 0.584906 1
57 BGC BGC BGC GLC 0.584906 1
58 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.584906 1
59 MAN BMA BMA BMA BMA 0.584906 1
60 GLC BGC BGC BGC 0.584906 1
61 GLA GAL BGC 0.584906 1
62 CTT 0.584906 1
63 MAN MAN BMA BMA BMA BMA 0.584906 1
64 BGC GLC GLC 0.584906 1
65 BGC GLC GLC GLC 0.584906 1
66 BMA MAN BMA 0.584906 1
67 BMA BMA BMA 0.584906 1
68 CEY 0.584906 1
69 DXI 0.584906 1
70 CE8 0.584906 1
71 MAN BMA BMA BMA BMA BMA 0.584906 1
72 GLC GAL GAL 0.584906 1
73 BGC GLC GLC GLC GLC 0.584906 1
74 GLC BGC BGC 0.584906 1
75 CE5 0.584906 1
76 GLA GAL GLC 0.584906 1
77 GLC GLC GLC GLC GLC 0.584906 1
78 GLC BGC GLC 0.584906 1
79 CTR 0.584906 1
80 GLC BGC BGC BGC BGC BGC 0.584906 1
81 BGC BGC BGC 0.584906 1
82 CEX 0.584906 1
83 BGC BGC BGC BGC 0.584906 1
84 CT3 0.584906 1
85 BGC GLC GLC GLC GLC GLC GLC 0.584906 1
86 MT7 0.584906 1
87 GLC BGC BGC BGC BGC 0.584906 1
88 TRE 0.581395 1
89 NAG GAL GAL NAG GAL 0.573529 0.6875
90 BMA MAN MAN MAN MAN 0.5625 1
91 GAL FUC 0.555556 0.941176
92 GLA NAG GAL FUC 0.549296 0.717391
93 LAT GLA 0.54902 1
94 MAN MAN MAN GLC 0.540984 1
95 BGC BGC 0.537037 0.914286
96 U63 0.527273 0.891892
97 GAL A2G 0.525424 0.733333
98 GAL NGA 0.525424 0.733333
99 NAG GAL 0.525424 0.733333
100 GAL NAG 0.525424 0.733333
101 FUC BGC GAL 0.52459 0.970588
102 FUC GLC BGC GAL 0.52459 0.970588
103 MAN MAN MAN MAN 0.52381 1
104 MAN MAN BMA MAN 0.52381 1
105 GLA MBG 0.519231 0.942857
106 DR5 0.518519 0.942857
107 MMA MAN 0.518519 0.942857
108 GLA EGA 0.517857 0.942857
109 DOM 0.509091 0.942857
110 BMA BMA MAN 0.508772 1
111 MAN MAN BMA 0.508772 1
112 AAL GAL 0.508475 0.891892
113 47N 0.508475 0.891892
114 GLA GLA FUC 0.508197 0.970588
115 GLA GAL FUC 0.508197 0.970588
116 FUC GAL GLA 0.508197 0.970588
117 GAL GAL FUC 0.508197 0.970588
118 FUC GLA GLA 0.508197 0.970588
119 BGC BGC BGC BGC BGC 0.5 1
120 MAN BMA NAG 0.5 0.733333
121 BGC BGC BGC BGC BGC BGC BGC 0.5 1
122 NOY BGC 0.5 0.702128
123 MAN MAN MAN MAN MAN MAN MAN 0.5 1
124 GAL NGA A2G 0.5 0.6875
125 GLA GAL NAG 0.5 0.733333
126 BMA BMA MAN GLA GLA 0.492063 1
127 5QP 0.491228 0.885714
128 T6P 0.490909 0.767442
129 RZM 0.490909 0.688889
130 NAG MAN BMA 0.485294 0.733333
131 BGC OXZ 0.482759 0.666667
132 IFM BMA 0.482759 0.711111
133 BMA IFM 0.482759 0.711111
134 IFM BGC 0.482759 0.711111
135 9MR 0.482759 0.744186
136 MAL EDO 0.482759 0.942857
137 GLA MAN ABE 0.477612 0.916667
138 A2G GAL 0.47619 0.653061
139 G2F BGC BGC BGC BGC BGC 0.47619 0.868421
140 MAN MMA MAN 0.47619 0.942857
141 GAL NDG 0.47541 0.733333
142 NLC 0.47541 0.733333
143 MAN MNM 0.474576 0.702128
144 FMO 0.474576 0.868421
145 GLC DMJ 0.474576 0.695652
146 NOJ GLC 0.474576 0.695652
147 MAN MAN MAN BMA MAN 0.471429 1
148 XYT 0.467742 0.767442
149 FRU GAL 0.465517 0.842105
150 BMA FRU 0.465517 0.842105
151 W9T 0.465517 0.842105
152 BMA BMA GLA BMA BMA 0.462687 1
153 BMA BMA BMA GLA BMA 0.462687 1
154 MAN MAN MAN MAN MAN MAN MAN MAN 0.4625 0.846154
155 GLC GLC XYP 0.461538 1
156 MAN G63 0.459016 0.653061
157 GDQ GLC 0.459016 0.666667
158 MAN 7D1 0.45614 0.888889
159 GXL 0.454545 0.848485
160 WOO 0.454545 0.848485
161 ALL 0.454545 0.848485
162 MAN 0.454545 0.848485
163 GLC 0.454545 0.848485
164 GAL 0.454545 0.848485
165 GIV 0.454545 0.848485
166 BGC 0.454545 0.848485
167 BMA 0.454545 0.848485
168 GLA 0.454545 0.848485
169 NAG BMA 0.453125 0.653061
170 BGC GAL NAG GAL 0.452055 0.733333
171 GAL NAG GAL GLC 0.452055 0.733333
172 GLA GAL BGC 5VQ 0.451613 0.891892
173 GAL MGC 0.451613 0.702128
174 GLC GLC GLC BGC 0.447761 1
175 GAL NGA GLA BGC GAL 0.447368 0.733333
176 3MG 0.446809 0.857143
177 LAK 0.446429 1
178 MLB 0.446429 1
179 MAN MAN 0.446429 1
180 GLA BMA 0.446429 1
181 KHO 0.446429 0.888889
182 GAL GAL 0.446429 1
183 MAN BMA 0.446429 1
184 GLA BGC 0.446429 1
185 GLA GLC 0.446429 1
186 BGC GLA 0.446429 1
187 BMA GLA 0.446429 1
188 GAL GLC 0.446429 1
189 FUC GAL NAG GAL FUC 0.443038 0.702128
190 MVP 0.442623 0.733333
191 ABL 0.442623 0.702128
192 MAN DGO 0.440678 0.914286
193 LAT NAG GAL 0.44 0.733333
194 GLC GAL NAG GAL 0.44 0.733333
195 OXZ BGC BGC 0.439394 0.6875
196 G2I 0.439394 0.767442
197 G3I 0.439394 0.767442
198 GYP 0.4375 0.857143
199 MMA 0.4375 0.857143
200 AMG 0.4375 0.857143
201 MBG 0.4375 0.857143
202 GAL BGC BGC XYS 0.43662 0.942857
203 ISX 0.433333 0.761905
204 SOR GLC GLC 0.432836 0.970588
205 GLC GLC GLC GLC BGC 0.431034 1
206 GLC GLC GLC GLC GLC BGC 0.431034 1
207 BMA MAN MAN 0.431034 1
208 GLA GAL GLC NBU 0.430769 0.846154
209 BGC GLA GAL FUC 0.430556 0.970588
210 WZ3 0.428571 0.916667
211 8VZ 0.428571 0.673469
212 GAL AAL GAL AAL GAL AAL 0.426667 0.891892
213 GAL NAG GAL NAG GAL NAG 0.426667 0.673469
214 AAL GAL AAL GLA 0.426667 0.891892
215 AAL GAL AAL GAL 0.426667 0.891892
216 NAG GAL GAL NAG 0.426667 0.6875
217 GLC GLC XYS 0.426471 0.970588
218 MAN IFM 0.42623 0.727273
219 GLC IFM 0.42623 0.727273
220 BGC BGC BGC FRU 0.424242 0.868421
221 OPM MAN MAN 0.422535 0.804878
222 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.421053 0.942857
223 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.421053 0.942857
224 BGC BGC BGC XYS GAL 0.421053 0.942857
225 BGC BGC BGC XYS BGC BGC 0.421053 0.942857
226 GLO GLC GLC GLC 0.42029 0.970588
227 LSE 0.42029 0.6875
228 SOR GLC GLC GLC 0.42029 0.970588
229 GLC 7LQ 0.419355 0.885714
230 GAL NGT 0.41791 0.66
231 DMU 0.41791 0.785714
232 LMT 0.41791 0.785714
233 UMQ 0.41791 0.785714
234 NGT GAL 0.41791 0.66
235 LMU 0.41791 0.785714
236 TUR 0.416667 0.842105
237 BTU 0.416667 0.842105
238 GLO GLC GLC 0.416667 0.942857
239 GLC FRU 0.416667 0.842105
240 NGA GLA GAL BGC 0.415584 0.733333
241 GLA MMA ABE 0.414286 0.868421
242 FUC BGC GAL NAG GAL 0.411765 0.717391
243 2M8 0.410714 0.911765
244 BGC RAM BGC GAD 0.409639 0.846154
245 GLC BDF 0.40625 0.916667
246 SIA NAG GAL GAL 0.40625 0.622642
247 NAG GAL BGC 0.405405 0.733333
248 GLA MAN RAM ABE 0.405063 0.891892
249 GAL NAG GAL BGC 0.405063 0.702128
250 RIB 0.404762 0.742857
251 FUB 0.404762 0.742857
252 32O 0.404762 0.742857
253 BDR 0.404762 0.742857
254 AHR 0.404762 0.742857
255 Z6J 0.404762 0.742857
256 NAG MAN BMA MAN NAG GAL 0.404494 0.6875
257 M1P 0.403846 0.697674
258 XGP 0.403846 0.697674
259 GL1 0.403846 0.697674
260 G1P 0.403846 0.697674
261 FUC NDG GAL 0.402778 0.717391
262 GAL NAG MAN 0.402778 0.733333
263 GAL NDG FUC 0.402778 0.717391
264 FUC NAG GAL 0.402778 0.717391
265 NAG NAG BMA MAN 0.402439 0.634615
266 FUC GAL 0.4 0.941176
267 LAG 0.4 0.6
268 GAL NAG GAL 0.4 0.702128
269 6UZ 0.4 0.846154
270 RGG 0.4 0.882353
271 GAL BGC NAG GAL 0.4 0.733333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CXG; Ligand: GLC G6D ACI GLC; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 2cxg.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 3VM7 GLC 33.9431
2 6SAO BGC GLC AC1 GLC AC1 42.369
3 6SAU BGC GLC AC1 GLC AC1 43.0435
4 4E2O ACI G6D GLC ACI G6D BGC 46.0352
5 5A2B MAL 46.0765
Pocket No.: 2; Query (leader) PDB : 2CXG; Ligand: GLC GLC; 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: 2cxg.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2CXG; Ligand: GLC GLC GLC GLC; 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: 2cxg.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2CXG; Ligand: GLC GLC; 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: 2cxg.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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