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Receptor
PDB id Resolution Class Description Source Keywords
3OLG 2.3 Å EC: 3.2.1.1 STRUCTURES OF HUMAN PANCREATIC ALPHA-AMYLASE IN COMPLEX WITH ACARVIOSTATIN III03 HOMO SAPIENS GLYCOSYLATION HYDROLASE-HYDROLASE INHIBITOR COMPLEX ACARVIIII03
Ref.: STRUCTURES OF HUMAN PANCREATIC ALPHA-AMYLASE IN COM ACARVIOSTATINS: IMPLICATIONS FOR DRUG DESIGN AGAINS DIABETES. J.STRUCT.BIOL. V. 174 196 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:497;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
CL A:498;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GLC A:512;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
GLC GLC BGC A:513;
Valid;
none;
submit data
504.438 n/a O(C1C...
GLC GLC GLC BGC A:507;
Valid;
none;
submit data
666.579 n/a O(CC1...
HSD G6D GLC HSD G6D GLC BGC A:500;
Valid;
none;
Ki = 0.0143 uM
1113.08 n/a O(C1C...
PCA A:511;
Part of Protein;
none;
submit data
129.114 C5 H7 N O3 C1CC(...
SO4 A:499;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4W93 1.35 Å EC: 3.2.1.1 HUMAN PANCREATIC ALPHA-AMYLASE IN COMPLEX WITH MONTBRETIN A HOMO SAPIENS AMYLASE GLUCOSYL HYDROLASE ENZYME INHIBITOR DIABETES HYDHYDROLASE INHIBITOR COMPLEX
Ref.: THE AMYLASE INHIBITOR MONTBRETIN A REVEALS A NEW GL INHIBITION MOTIF. NAT.CHEM.BIOL. V. 11 691 2015
Members (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 3OLE Ki = 0.0147 uM ACI G6D GLC ACI G6D GLC GLC n/a n/a
2 5EMY - 5QP C13 H24 O10 C1[C@H]([C....
3 1XD0 Ki = 0.075 uM ARE C31 H53 N O23 C[C@@H]1[C....
4 1U2Y Ki = 18 mM GOX C6 H12 N2 O5 C([C@@H]1[....
5 3OLD Ki = 1.25 uM GLC GLC ACI G6D GLC GLC n/a n/a
6 1XH0 - AAO C37 H63 N O28 C[C@@H]1[C....
7 1XD1 Ki = 0.012 uM 6SA C37 H63 N O28 C[C@@H]1[C....
8 3CPU - GLC GLC n/a n/a
9 1U33 Ki = 25 uM LM2 C19 H34 N2 O15 CO[C@@H]1[....
10 1XH2 - ARE C31 H53 N O23 C[C@@H]1[C....
11 3OLG Ki = 0.0143 uM HSD G6D GLC HSD G6D GLC BGC n/a n/a
12 3BAY - ARE C31 H53 N O23 C[C@@H]1[C....
13 1Z32 - AGL GLC HMC n/a n/a
14 3DHP - GLC AGL GLC HMC n/a n/a
15 3IJ7 - GLF B8D n/a n/a
16 5TD4 - MAL C12 H22 O11 C([C@@H]1[....
17 3OLI Ki = 0.0416 uM HSD G6D GLC HSD G6D GLC GLC n/a n/a
18 1U30 Ki = 1.8 mM GOX C6 H12 N2 O5 C([C@@H]1[....
19 1XCX - IAB C25 H43 N O18 C[C@@H]1[C....
20 4W93 Ki = 8 nM 3L9 C53 H64 O33 C[C@H]1[C@....
21 1CPU - GLC GLC AGL HMC GLC n/a n/a
22 1XCW - 3SA C19 H33 N O13 C[C@@H]1[C....
23 2QV4 - QV4 C31 H53 N O23 C[C@@H]1[C....
24 3IJ9 - B0D C6 H10 F2 O5 C([C@]1([C....
25 3IJ8 - B0D C6 H10 F2 O5 C([C@]1([C....
26 1NM9 - HMC AGL GLC n/a n/a
27 4GQQ - 0XR C11 H12 O4 CCOC(=O)/C....
28 3BAJ - ARE C31 H53 N O23 C[C@@H]1[C....
29 4GQR Ki = 110 uM MYC C15 H10 O8 c1c(cc(c(c....
70% Homology Family (39)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 3OLE Ki = 0.0147 uM ACI G6D GLC ACI G6D GLC GLC n/a n/a
2 5EMY - 5QP C13 H24 O10 C1[C@H]([C....
3 1XD0 Ki = 0.075 uM ARE C31 H53 N O23 C[C@@H]1[C....
4 1U2Y Ki = 18 mM GOX C6 H12 N2 O5 C([C@@H]1[....
5 3OLD Ki = 1.25 uM GLC GLC ACI G6D GLC GLC n/a n/a
6 1XH0 - AAO C37 H63 N O28 C[C@@H]1[C....
7 1XD1 Ki = 0.012 uM 6SA C37 H63 N O28 C[C@@H]1[C....
8 3CPU - GLC GLC n/a n/a
9 1U33 Ki = 25 uM LM2 C19 H34 N2 O15 CO[C@@H]1[....
10 1XH2 - ARE C31 H53 N O23 C[C@@H]1[C....
11 3OLG Ki = 0.0143 uM HSD G6D GLC HSD G6D GLC BGC n/a n/a
12 3BAY - ARE C31 H53 N O23 C[C@@H]1[C....
13 1Z32 - AGL GLC HMC n/a n/a
14 3DHP - GLC AGL GLC HMC n/a n/a
15 3IJ7 - GLF B8D n/a n/a
16 5TD4 - MAL C12 H22 O11 C([C@@H]1[....
17 3OLI Ki = 0.0416 uM HSD G6D GLC HSD G6D GLC GLC n/a n/a
18 1U30 Ki = 1.8 mM GOX C6 H12 N2 O5 C([C@@H]1[....
19 1XCX - IAB C25 H43 N O18 C[C@@H]1[C....
20 4W93 Ki = 8 nM 3L9 C53 H64 O33 C[C@H]1[C@....
21 1CPU - GLC GLC AGL HMC GLC n/a n/a
22 1XCW - 3SA C19 H33 N O13 C[C@@H]1[C....
23 2QV4 - QV4 C31 H53 N O23 C[C@@H]1[C....
24 3IJ9 - B0D C6 H10 F2 O5 C([C@]1([C....
25 3IJ8 - B0D C6 H10 F2 O5 C([C@]1([C....
26 1NM9 - HMC AGL GLC n/a n/a
27 4GQQ - 0XR C11 H12 O4 CCOC(=O)/C....
28 3BAJ - ARE C31 H53 N O23 C[C@@H]1[C....
29 4GQR Ki = 110 uM MYC C15 H10 O8 c1c(cc(c(c....
30 1OSE - BGC C6 H12 O6 C([C@@H]1[....
31 3L2M - GLC GLC GLC GLC GLC GLC n/a n/a
32 1HX0 - GLC AC1 GLC AC1 n/a n/a
33 1WO2 - GLC BGC n/a n/a
34 1JFH Ki = 9 mM GLC MA1 n/a n/a
35 3L2L - GLC GLC GLC GLC n/a n/a
36 1UA3 - MAL C12 H22 O11 C([C@@H]1[....
37 1VAH - NPO C6 H5 N O3 c1cc(ccc1[....
38 1PPI Ki = 9.7 uM GLC GLC DAF BGC n/a n/a
39 1PIG ic50 = 0.7 nM AGL GLC HMC AGL GLC BGC n/a n/a
50% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3OLE Ki = 0.0147 uM ACI G6D GLC ACI G6D GLC GLC n/a n/a
2 5EMY - 5QP C13 H24 O10 C1[C@H]([C....
3 1XD0 Ki = 0.075 uM ARE C31 H53 N O23 C[C@@H]1[C....
4 1U2Y Ki = 18 mM GOX C6 H12 N2 O5 C([C@@H]1[....
5 3OLD Ki = 1.25 uM GLC GLC ACI G6D GLC GLC n/a n/a
6 1XH0 - AAO C37 H63 N O28 C[C@@H]1[C....
7 1XD1 Ki = 0.012 uM 6SA C37 H63 N O28 C[C@@H]1[C....
8 3CPU - GLC GLC n/a n/a
9 1U33 Ki = 25 uM LM2 C19 H34 N2 O15 CO[C@@H]1[....
10 1XH2 - ARE C31 H53 N O23 C[C@@H]1[C....
11 3OLG Ki = 0.0143 uM HSD G6D GLC HSD G6D GLC BGC n/a n/a
12 3BAY - ARE C31 H53 N O23 C[C@@H]1[C....
13 1Z32 - AGL GLC HMC n/a n/a
14 3DHP - GLC AGL GLC HMC n/a n/a
15 3IJ7 - GLF B8D n/a n/a
16 5TD4 - MAL C12 H22 O11 C([C@@H]1[....
17 3OLI Ki = 0.0416 uM HSD G6D GLC HSD G6D GLC GLC n/a n/a
18 1U30 Ki = 1.8 mM GOX C6 H12 N2 O5 C([C@@H]1[....
19 1XCX - IAB C25 H43 N O18 C[C@@H]1[C....
20 4W93 Ki = 8 nM 3L9 C53 H64 O33 C[C@H]1[C@....
21 1CPU - GLC GLC AGL HMC GLC n/a n/a
22 1XCW - 3SA C19 H33 N O13 C[C@@H]1[C....
23 2QV4 - QV4 C31 H53 N O23 C[C@@H]1[C....
24 3IJ9 - B0D C6 H10 F2 O5 C([C@]1([C....
25 3IJ8 - B0D C6 H10 F2 O5 C([C@]1([C....
26 1NM9 - HMC AGL GLC n/a n/a
27 4GQQ - 0XR C11 H12 O4 CCOC(=O)/C....
28 3BAJ - ARE C31 H53 N O23 C[C@@H]1[C....
29 4GQR Ki = 110 uM MYC C15 H10 O8 c1c(cc(c(c....
30 1OSE - BGC C6 H12 O6 C([C@@H]1[....
31 3L2M - GLC GLC GLC GLC GLC GLC n/a n/a
32 1HX0 - GLC AC1 GLC AC1 n/a n/a
33 1WO2 - GLC BGC n/a n/a
34 1JFH Ki = 9 mM GLC MA1 n/a n/a
35 3L2L - GLC GLC GLC GLC n/a n/a
36 1UA3 - MAL C12 H22 O11 C([C@@H]1[....
37 1VAH - NPO C6 H5 N O3 c1cc(ccc1[....
38 1PPI Ki = 9.7 uM GLC GLC DAF BGC n/a n/a
39 1PIG ic50 = 0.7 nM AGL GLC HMC AGL GLC BGC n/a n/a
40 1G94 - DAF GLC DAF GLC GLC n/a n/a
41 1KXH - ACR C25 H43 N O18 C[C@@H]1[C....
42 1G9H - DAF BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 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 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Ligand no: 2; Ligand: GLC GLC BGC; Similar ligands found: 322
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC BGC GLC 1 1
2 CE8 1 1
3 BGC GLC GLC GLC 1 1
4 CT3 1 1
5 GLA GAL GLC 1 1
6 MAN MAN BMA BMA BMA BMA 1 1
7 BGC GLC GLC 1 1
8 BGC BGC BGC BGC 1 1
9 GLC BGC BGC BGC BGC BGC 1 1
10 GLC BGC BGC 1 1
11 GLC GLC GLC GLC GLC GLC GLC GLC GLC 1 1
12 BGC GLC GLC GLC GLC 1 1
13 B4G 1 1
14 CEY 1 1
15 GLC GLC BGC 1 1
16 MAN BMA BMA BMA BMA 1 1
17 MLR 1 1
18 GAL GAL GAL 1 1
19 BGC BGC BGC BGC BGC BGC 1 1
20 MAN BMA BMA BMA BMA BMA 1 1
21 GLC BGC BGC BGC 1 1
22 CTT 1 1
23 DXI 1 1
24 CEX 1 1
25 CE5 1 1
26 GLC GLC GLC GLC GLC 1 1
27 BMA MAN BMA 1 1
28 CE6 1 1
29 BGC BGC BGC BGC BGC BGC BGC BGC BGC 1 1
30 GLA GAL BGC 1 1
31 BMA BMA BMA 1 1
32 MTT 1 1
33 MAN BMA BMA 1 1
34 GLC GAL GAL 1 1
35 BGC BGC BGC 1 1
36 BGC BGC BGC BGC BGC 1 1
37 BGC GLC GLC GLC GLC GLC GLC 1 1
38 BGC BGC GLC 1 1
39 BMA BMA BMA BMA BMA BMA 1 1
40 BMA BMA BMA BMA BMA 1 1
41 CTR 1 1
42 GLC BGC BGC BGC BGC 1 1
43 BGC BGC BGC GLC 1 1
44 MT7 1 1
45 LBT 0.909091 1
46 BMA GAL 0.909091 1
47 GLA GLA 0.909091 1
48 CBI 0.909091 1
49 LAT 0.909091 1
50 BGC GAL 0.909091 1
51 BGC BMA 0.909091 1
52 GLC GAL 0.909091 1
53 MAL 0.909091 1
54 GLA GAL 0.909091 1
55 B2G 0.909091 1
56 GAL BGC 0.909091 1
57 CBK 0.909091 1
58 MAB 0.909091 1
59 N9S 0.909091 1
60 BGC BGC BGC BGC BGC BGC BGC BGC 0.830189 1
61 LAT GLA 0.765957 1
62 BMA BMA GLA BMA BMA 0.758621 1
63 GLA GAL GAL 0.754717 1
64 GLC GLC GLC BGC 0.741379 1
65 BMA BMA BMA BMA 0.672414 0.941176
66 MMA MAN 0.653846 0.942857
67 DR5 0.653846 0.942857
68 NGA GAL BGC 0.650794 0.733333
69 GLA EGA 0.648148 0.942857
70 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.647059 0.942857
71 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.647059 0.942857
72 BGC BGC BGC XYS BGC BGC 0.647059 0.942857
73 XYT 0.637931 0.767442
74 ABD 0.637681 0.75
75 GAL NGA GLA BGC GAL 0.628571 0.733333
76 GLC GLC XYP 0.622951 1
77 GLA GAL BGC 5VQ 0.62069 0.891892
78 G2F BGC BGC BGC BGC BGC 0.616667 0.868421
79 BGC BGC XYS BGC 0.61194 0.942857
80 MAL EDO 0.607143 0.942857
81 U63 0.6 0.891892
82 BGC BGC BGC XYS GAL 0.6 0.942857
83 NGA GLA GAL BGC 0.591549 0.733333
84 GLA GAL GLC NBU 0.590164 0.846154
85 M3M 0.584906 1
86 LB2 0.584906 1
87 NGR 0.584906 1
88 MAN GLC 0.584906 1
89 BGC BGC BGC FRU 0.580645 0.868421
90 LAT NAG GAL 0.577465 0.733333
91 GLC GAL NAG GAL 0.577465 0.733333
92 BGC GLA GAL FUC 0.573529 0.970588
93 G2I 0.571429 0.767442
94 LAT FUC 0.571429 0.970588
95 GAL FUC 0.571429 0.941176
96 BGC GAL NAG GAL 0.571429 0.733333
97 OXZ BGC BGC 0.571429 0.6875
98 GAL NAG GAL GLC 0.571429 0.733333
99 BGC GAL FUC 0.571429 0.970588
100 FUC GAL GLC 0.571429 0.970588
101 GLC GLC G6D ACI GLC GLC GLC 0.571429 0.733333
102 G3I 0.571429 0.767442
103 GLC GAL FUC 0.571429 0.970588
104 8B7 0.571429 0.970588
105 2M4 0.566038 1
106 BQZ 0.56 0.909091
107 GLC GLC XYS 0.553846 0.970588
108 SOR GLC GLC GLC 0.545455 0.970588
109 GLO GLC GLC GLC 0.545455 0.970588
110 BGC BGC BGC XYS BGC XYS GAL 0.545455 0.942857
111 LAG 0.545455 0.6
112 GAL BGC BGC BGC XYS BGC XYS 0.545455 0.942857
113 GLC GLC DAF BGC 0.54321 0.702128
114 GLC GLC AGL HMC GLC 0.54321 0.702128
115 ARE 0.54321 0.733333
116 ACR GLC GLC GLC 0.54321 0.702128
117 GLC GLC ACI G6D GLC GLC 0.54321 0.702128
118 AAO 0.54321 0.733333
119 GLC BGC BGC XYS BGC XYS XYS 0.541667 0.942857
120 BGC BGC XYS BGC XYS BGC XYS 0.541667 0.942857
121 BGC BGC BGC XYS BGC XYS XYS 0.541667 0.942857
122 GAL NDG 0.540984 0.733333
123 NLC 0.540984 0.733333
124 5GO 0.540984 0.66
125 NDG GAL 0.540984 0.733333
126 GAL BGC BGC XYS 0.536232 0.942857
127 BGC BGC BGC GLC BGC BGC 0.534483 1
128 GLC BGC BGC BGC BGC BGC BGC 0.534483 1
129 DEL 0.534483 0.970588
130 MVP 0.533333 0.733333
131 SGA BGC 0.532258 0.66
132 TRE 0.531915 1
133 BGC BGC 0.526316 0.914286
134 BMA BMA 0.526316 0.914286
135 LMT 0.523077 0.785714
136 LMU 0.523077 0.785714
137 UMQ 0.523077 0.785714
138 DMU 0.523077 0.785714
139 NAG GAL BGC 0.521127 0.733333
140 GLC ACI GLD GLC 0.519481 0.733333
141 GLC G6D ACI GLC 0.519481 0.733333
142 GLC G6D ADH GLC 0.519481 0.733333
143 GLC ACI G6D BGC 0.519481 0.733333
144 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.518519 0.942857
145 GAL BGC BGC BGC XYS XYS 0.518519 0.942857
146 GLC BGC BGC XYS BGC XYS XYS GAL 0.518519 0.942857
147 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.518519 0.942857
148 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.518519 0.942857
149 BMA MAN MAN MAN 0.516129 1
150 FUC BGC GAL 0.515625 0.970588
151 SOR GLC GLC 0.515152 0.970588
152 RCB 0.514286 0.622642
153 GAL BGC NAG GAL 0.513889 0.733333
154 GLA MBG 0.509091 0.942857
155 ACI GLD GLC GAL 0.506667 0.733333
156 DAF GLC GLC 0.506667 0.733333
157 DAF BGC GLC 0.506667 0.733333
158 6UZ 0.5 0.846154
159 TXT 0.5 0.767442
160 GAC 0.5 0.767442
161 BMA BMA MAN 0.5 1
162 MAN MAN BMA 0.5 1
163 GLC ACI GLD GAL 0.493827 0.702128
164 GLC ACI G6D GLC 0.493827 0.702128
165 QV4 0.493827 0.733333
166 GLC GLC GLC PO4 SGC GLC 0.487805 0.66
167 NPJ 0.485714 0.622642
168 MAN BMA MAN 0.484375 1
169 ACR 0.481013 0.733333
170 QPS 0.481013 0.733333
171 4MU BGC BGC BGC BGC 0.480519 0.767442
172 GAL NAG MAN 0.478873 0.733333
173 DOM 0.474576 0.942857
174 GLO GLC GLC 0.472222 0.942857
175 GLA GAL NAG 0.471429 0.733333
176 10M 0.471429 0.733333
177 MAN BMA NAG 0.471429 0.733333
178 GAL GAL SO4 0.469697 0.66
179 8VZ 0.46875 0.673469
180 FMO 0.467742 0.868421
181 4MU BGC BGC 0.467532 0.767442
182 BGC BGC SGC MGL 0.465753 0.868421
183 MGL SGC GLC GLC 0.465753 0.868421
184 CM5 0.465753 0.891892
185 MGL SGC BGC BGC 0.465753 0.868421
186 ACR GLC 0.4625 0.702128
187 ACR GLC GLC GLC GLC 0.4625 0.702128
188 NAG GAL GAL NAG GAL 0.460526 0.6875
189 CGC 0.460317 0.941176
190 MA4 0.459459 0.891892
191 5QP 0.459016 0.885714
192 ACI G6D GLC ACI G6D BGC 0.457831 0.702128
193 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.457831 0.702128
194 BGC GLC AC1 GLC GLC GLC AC1 0.457831 0.702128
195 AC1 GLC AC1 BGC 0.457831 0.702128
196 DAF GLC DAF GLC GLC 0.457831 0.702128
197 ACI GLD GLC ACI G6D BGC 0.457831 0.702128
198 M13 0.457627 0.942857
199 MDM 0.457627 0.942857
200 GAL MBG 0.457627 0.942857
201 RZM 0.457627 0.688889
202 LSE 0.457143 0.6875
203 GLA GAL NAG FUC GAL GLC 0.454545 0.717391
204 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.453488 0.653061
205 GTM BGC BGC 0.450704 0.868421
206 MAN MAN MAN MAN 0.449275 1
207 MAN MAN BMA MAN 0.449275 1
208 ACG 0.448276 0.695652
209 NAG BMA 0.447761 0.653061
210 FUC GAL NAG GAL BGC 0.447059 0.717391
211 GAL GLC NAG GAL FUC 0.447059 0.717391
212 GLC NAG GAL GAL FUC 0.447059 0.717391
213 GAL A2G 0.446154 0.733333
214 A2G GAL 0.446154 0.733333
215 GAL NGA 0.446154 0.733333
216 BMA MAN MAN MAN MAN 0.444444 1
217 MAN BMA MAN MAN MAN 0.442857 1
218 M5S 0.442857 1
219 NAG GAL GAL NAG 0.441558 0.6875
220 GAL NAG GAL NAG GAL NAG 0.441558 0.673469
221 MAN MAN MAN GLC 0.441176 1
222 GLA GLC 0.440678 1
223 BGC GLA 0.440678 1
224 MAN BMA 0.440678 1
225 BGC GLC 0.440678 1
226 GLA BGC 0.440678 1
227 MAN MAN 0.440678 1
228 GLC BGC 0.440678 1
229 BMA MAN 0.440678 1
230 LAK 0.440678 1
231 GAL GAL 0.440678 1
232 BMA GLA 0.440678 1
233 GLA BMA 0.440678 1
234 GAL GLC 0.440678 1
235 MLB 0.440678 1
236 GLC GLC 0.440678 1
237 DAF GLC 0.44 0.733333
238 DAF BGC 0.44 0.733333
239 BGC SGC BGC SGC BGC SGC BGC SGC 0.438356 0.916667
240 TM6 0.438356 0.916667
241 ABL 0.4375 0.702128
242 FRU GAL 0.435484 0.842105
243 BMA FRU 0.435484 0.842105
244 FUC GAL GLA 0.432836 0.970588
245 GLA GAL FUC 0.432836 0.970588
246 GLA GLA FUC 0.432836 0.970588
247 GAL GAL FUC 0.432836 0.970588
248 FUC GLA GLA 0.432836 0.970588
249 BMA IFM 0.428571 0.711111
250 A2G GAL BGC FUC 0.428571 0.717391
251 BGC OXZ 0.428571 0.666667
252 IFM BGC 0.428571 0.711111
253 VAM 0.428571 0.868421
254 IFM BMA 0.428571 0.711111
255 GLF B8D 0.428571 0.775
256 9MR 0.428571 0.744186
257 ISX 0.428571 0.761905
258 BGC GAL NAG GAL FUC FUC 0.426966 0.702128
259 7SA 0.426966 0.702128
260 GLC GAL NAG GAL FUC FUC 0.426966 0.702128
261 MAN MAN MAN BMA MAN 0.426667 1
262 GLC GLC GLC GLC GLC BGC 0.42623 1
263 BMA MAN MAN 0.42623 1
264 GLC GLC GLC 0.42623 1
265 MAN MAN MAN 0.42623 1
266 GLC GLC GLC GLC BGC 0.42623 1
267 NOJ GLC 0.421875 0.695652
268 GLC DMJ 0.421875 0.695652
269 NOY BGC 0.421875 0.702128
270 MAN MNM 0.421875 0.702128
271 PA1 GCS 0.419355 0.767442
272 GCS GCS 0.419355 0.767442
273 HMC AGL GLC 0.417722 0.717391
274 3SA 0.417722 0.733333
275 GAL 0.416667 0.848485
276 GXL 0.416667 0.848485
277 ALL 0.416667 0.848485
278 6SA 0.416667 0.733333
279 GLA 0.416667 0.848485
280 GLC 0.416667 0.848485
281 MAN 0.416667 0.848485
282 XZZ BGC BGC 0.416667 0.702128
283 WOO 0.416667 0.848485
284 BMA 0.416667 0.848485
285 BGC 0.416667 0.848485
286 GIV 0.416667 0.848485
287 HSD G6D GLC HSD G6D GLC BGC 0.41573 0.673469
288 ACI G6D GLC ACI G6D GLC GLC 0.41573 0.673469
289 HSD G6D GLC HSD G6D GLC GLC 0.41573 0.673469
290 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.41573 0.673469
291 GAL NAG GAL 0.415584 0.702128
292 GCS GCS GCS GCS GCS 0.415385 0.767442
293 GCS GCS GCS GCS GCS GCS 0.415385 0.767442
294 GCS GCS GCS 0.415385 0.767442
295 P3M 0.414286 0.767442
296 MAN DGO 0.412698 0.914286
297 AGL GLC HMC AGL GLC BGC 0.411111 0.653061
298 NAG NDG BMA 0.410256 0.634615
299 NAG NAG BMA 0.410256 0.634615
300 T6P 0.409836 0.767442
301 GDQ GLC 0.409091 0.666667
302 MAN G63 0.409091 0.653061
303 FUC BGC GAL NAG GAL 0.409091 0.717391
304 AMG 0.403846 0.857143
305 GYP 0.403846 0.857143
306 MMA 0.403846 0.857143
307 MBG 0.403846 0.857143
308 MAN 7D1 0.403226 0.888889
309 GAL MGC 0.402985 0.702128
310 BGC BGC XYS BGC XYS GAL 0.4 0.916667
311 Z6J 0.4 0.742857
312 RIB 0.4 0.742857
313 FUC NDG GAL 0.4 0.717391
314 A2G MBG 0.4 0.702128
315 A2G GAL NAG FUC GAL GLC 0.4 0.673469
316 AHR 0.4 0.742857
317 GLC GAL NAG GAL FUC A2G 0.4 0.673469
318 MAN MAN MAN MAN MAN MAN MAN 0.4 1
319 GAL NDG FUC 0.4 0.717391
320 FUB 0.4 0.742857
321 32O 0.4 0.742857
322 MBG A2G 0.4 0.702128
Ligand no: 3; Ligand: GLC GLC GLC BGC; Similar ligands found: 227
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC BGC 1 1
2 BMA BMA GLA BMA BMA 0.825397 1
3 CT3 0.741379 1
4 BGC GLC GLC GLC 0.741379 1
5 BGC BGC BGC BGC BGC BGC 0.741379 1
6 MAN BMA BMA BMA BMA BMA 0.741379 1
7 CE5 0.741379 1
8 BGC BGC BGC 0.741379 1
9 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.741379 1
10 CTT 0.741379 1
11 BGC BGC BGC BGC BGC 0.741379 1
12 BGC GLC GLC GLC GLC 0.741379 1
13 GLC GLC GLC GLC GLC 0.741379 1
14 CEX 0.741379 1
15 CEY 0.741379 1
16 BGC BGC BGC GLC 0.741379 1
17 BGC BGC GLC 0.741379 1
18 GLC BGC BGC BGC 0.741379 1
19 BMA BMA BMA BMA BMA BMA 0.741379 1
20 GLC GLC BGC 0.741379 1
21 BGC BGC BGC BGC 0.741379 1
22 GLC BGC BGC 0.741379 1
23 GLC BGC BGC BGC BGC BGC 0.741379 1
24 B4G 0.741379 1
25 GLC GAL GAL 0.741379 1
26 CE8 0.741379 1
27 GAL GAL GAL 0.741379 1
28 BGC GLC GLC 0.741379 1
29 MT7 0.741379 1
30 BMA MAN BMA 0.741379 1
31 GLC BGC BGC BGC BGC 0.741379 1
32 BMA BMA BMA 0.741379 1
33 CTR 0.741379 1
34 CE6 0.741379 1
35 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.741379 1
36 GLA GAL BGC 0.741379 1
37 MAN MAN BMA BMA BMA BMA 0.741379 1
38 MAN BMA BMA 0.741379 1
39 MTT 0.741379 1
40 DXI 0.741379 1
41 GLA GAL GLC 0.741379 1
42 MAN BMA BMA BMA BMA 0.741379 1
43 BMA BMA BMA BMA BMA 0.741379 1
44 GLC BGC GLC 0.741379 1
45 MLR 0.741379 1
46 BGC GLC GLC GLC GLC GLC GLC 0.741379 1
47 BGC BGC XYS BGC 0.704225 0.942857
48 N9S 0.672414 1
49 GLC GAL 0.672414 1
50 BGC BMA 0.672414 1
51 BGC GAL 0.672414 1
52 BMA GAL 0.672414 1
53 LBT 0.672414 1
54 CBK 0.672414 1
55 B2G 0.672414 1
56 CBI 0.672414 1
57 GLA GLA 0.672414 1
58 LAT 0.672414 1
59 MAB 0.672414 1
60 MAL 0.672414 1
61 GLA GAL 0.672414 1
62 GAL BGC 0.672414 1
63 BGC BGC BGC BGC BGC BGC BGC BGC 0.641791 1
64 GLC GLC GLC 0.639344 1
65 BMA MAN MAN 0.639344 1
66 GLC GLC GLC GLC BGC 0.639344 1
67 MAN MAN MAN 0.639344 1
68 GLC GLC GLC GLC GLC BGC 0.639344 1
69 GLA GLC 0.633333 1
70 BGC GLC 0.633333 1
71 MAN BMA 0.633333 1
72 BMA MAN 0.633333 1
73 GLC GLC 0.633333 1
74 MLB 0.633333 1
75 GLA BGC 0.633333 1
76 GLA BMA 0.633333 1
77 GAL GAL 0.633333 1
78 MAN MAN 0.633333 1
79 LAK 0.633333 1
80 BMA GLA 0.633333 1
81 GAL GLC 0.633333 1
82 GLC BGC 0.633333 1
83 BGC GLA 0.633333 1
84 BGC BGC XYS BGC XYS BGC XYS 0.631579 0.942857
85 GLC BGC BGC XYS BGC XYS XYS 0.631579 0.942857
86 BGC BGC BGC XYS BGC XYS XYS 0.631579 0.942857
87 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.623377 0.942857
88 BGC BGC BGC XYS BGC BGC 0.623377 0.942857
89 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.623377 0.942857
90 MAN BMA MAN 0.61194 1
91 XYT 0.61194 0.767442
92 MAN MAN BMA MAN 0.591549 1
93 MAN MAN MAN MAN 0.591549 1
94 GLA GAL GAL 0.58209 1
95 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.581395 0.942857
96 GLC BGC BGC XYS BGC XYS XYS GAL 0.581395 0.942857
97 GAL BGC BGC BGC XYS XYS 0.581395 0.942857
98 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.581395 0.942857
99 GAL XYS XYS BGC BGC BGC XYS GAL BGC 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 FUB AHR AHR 0.548387 0.857143
106 AHR AHR AHR AHR AHR AHR 0.548387 0.857143
107 GLA EGA 0.545455 0.942857
108 GAL BGC NAG GAL 0.544304 0.733333
109 NGA GAL BGC 0.539474 0.733333
110 ABD 0.536585 0.75
111 GAL BGC BGC BGC XYS BGC XYS 0.534884 0.942857
112 BGC BGC BGC XYS BGC XYS GAL 0.534884 0.942857
113 GLA GAL BGC 5VQ 0.528571 0.891892
114 FUB AHR 0.52459 0.857143
115 AHR AHR 0.52459 0.857143
116 MAN MAN MAN MAN MAN MAN MAN 0.52439 1
117 MAN MMA 0.523077 0.942857
118 MAL EDO 0.514706 0.942857
119 GAL NGA GLA BGC GAL 0.511905 0.733333
120 GLA GAL GLC NBU 0.506849 0.846154
121 MAN MMA MAN 0.506849 0.942857
122 GAL BGC BGC XYS 0.506329 0.942857
123 DR5 0.5 0.942857
124 MAN MAN MAN BMA MAN 0.5 1
125 MMA MAN 0.5 0.942857
126 GLC GLC XYP 0.493333 1
127 6SA 0.49 0.733333
128 NAG NAG BMA MAN MAN 0.48913 0.6875
129 G2F BGC BGC BGC BGC BGC 0.486486 0.868421
130 NGA GLA GAL BGC 0.482353 0.733333
131 GLC GAL FUC 0.473684 0.970588
132 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.473684 0.733333
133 BGC GAL FUC 0.473684 0.970588
134 8B7 0.473684 0.970588
135 FUC GAL GLC 0.473684 0.970588
136 LAT FUC 0.473684 0.970588
137 GLC GLC G6D ACI GLC GLC GLC 0.472527 0.733333
138 GLC GAL NAG GAL 0.470588 0.733333
139 LAT NAG GAL 0.470588 0.733333
140 BGC BGC XYS BGC XYS GAL 0.466667 0.916667
141 BGC GAL NAG GAL 0.464286 0.733333
142 GAL NAG GAL GLC 0.464286 0.733333
143 U63 0.463768 0.891892
144 BGC GLA GAL FUC 0.463415 0.970588
145 BMA MAN MAN MAN MAN 0.4625 1
146 BGC BGC BGC FRU 0.460526 0.868421
147 DEL 0.457143 0.970588
148 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.456522 0.6875
149 1GN ACY GAL ACY 1GN BGC GAL BGC 0.456522 0.6875
150 G3I 0.454545 0.767442
151 DMU 0.454545 0.785714
152 G2I 0.454545 0.767442
153 UMQ 0.454545 0.785714
154 LMU 0.454545 0.785714
155 LMT 0.454545 0.785714
156 OXZ BGC BGC 0.454545 0.6875
157 IAB 0.453608 0.733333
158 GLC GLC ACI G6D GLC GLC 0.452632 0.702128
159 ARE 0.452632 0.733333
160 GLC GLC DAF BGC 0.452632 0.702128
161 GLC GLC AGL HMC GLC 0.452632 0.702128
162 ACR GLC GLC GLC 0.452632 0.702128
163 AAO 0.452632 0.733333
164 BMA NGT MAN MAN 0.450549 0.66
165 RAF 0.448718 0.891892
166 M3M 0.447761 1
167 MAN GLC 0.447761 1
168 LB2 0.447761 1
169 NGR 0.447761 1
170 MAN MAN MAN BMA MAN MAN MAN 0.444444 0.942857
171 WZ3 0.444444 0.916667
172 GLC GLC XYS 0.443038 0.970588
173 STW 0.443038 0.891892
174 GAL FUC 0.442857 0.941176
175 NAG BMA MAN MAN MAN MAN 0.44086 0.733333
176 SGA BGC 0.44 0.66
177 MVP 0.438356 0.733333
178 GLO GLC GLC GLC 0.4375 0.970588
179 SOR GLC GLC GLC 0.4375 0.970588
180 LAG 0.4375 0.6
181 6UZ 0.4375 0.846154
182 GLC GLC GLC PO4 SGC GLC 0.43617 0.66
183 NBG BGC BGC XYS BGC XYS XYS 0.434783 0.702128
184 2M4 0.432836 1
185 M5G 0.432692 0.6875
186 ACI GLD GLC GAL 0.431818 0.733333
187 DAF GLC GLC 0.431818 0.733333
188 DAF BGC GLC 0.431818 0.733333
189 GLC G6D ACI GLC 0.428571 0.733333
190 GLC ACI GLD GLC 0.428571 0.733333
191 GAL GAL SO4 0.428571 0.66
192 GLC G6D ADH GLC 0.428571 0.733333
193 GLC ACI G6D BGC 0.428571 0.733333
194 GAC 0.426966 0.767442
195 TXT 0.426966 0.767442
196 NLC 0.426667 0.733333
197 GAL NDG 0.426667 0.733333
198 5GO 0.426667 0.66
199 NDG GAL 0.426667 0.733333
200 QV4 0.425532 0.733333
201 NAG GAL BGC 0.423529 0.733333
202 BQZ 0.421875 0.909091
203 LSE 0.419753 0.6875
204 SUC GLA 0.416667 0.891892
205 BGC BGC BGC GLC BGC BGC 0.416667 1
206 RCB 0.416667 0.622642
207 GLC BGC BGC BGC BGC BGC BGC 0.416667 1
208 ACR 0.413043 0.733333
209 QPS 0.413043 0.733333
210 SOR GLC GLC 0.4125 0.970588
211 CM5 0.411765 0.891892
212 4MU BGC BGC BGC BGC 0.411111 0.767442
213 GLC ACI G6D GLC 0.410526 0.702128
214 GLC ACI GLD GAL 0.410526 0.702128
215 FUC BGC GAL 0.410256 0.970588
216 NGB 0.409639 0.622642
217 BGC BGC 0.408451 0.914286
218 BMA BMA 0.408451 0.914286
219 BMA MAN MAN MAN 0.407895 1
220 MA4 0.406977 0.891892
221 NAG MAN BMA MAN NAG GAL 0.405941 0.6875
222 NAG NAG BMA MAN MAN MAN MAN 0.40367 0.634615
223 NAG MAN MAN 0.402299 0.733333
224 NAG MAN MAN MAN NAG GAL NAG GAL 0.401961 0.673469
225 MAN BMA NAG NAG MAN NAG GAL GAL 0.401961 0.673469
226 P3M 0.4 0.767442
227 4MU BGC BGC 0.4 0.767442
Ligand no: 4; Ligand: HSD G6D GLC HSD G6D GLC BGC; Similar ligands found: 87
No: Ligand ECFP6 Tc MDL keys Tc
1 HSD G6D GLC HSD G6D GLC GLC 1 1
2 HSD G6D GLC HSD G6D GLC BGC 1 1
3 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 1 1
4 ACI G6D GLC ACI G6D GLC GLC 1 1
5 ACR GLC GLC GLC GLC 0.890244 0.959184
6 ACR GLC 0.890244 0.959184
7 ACR GLC GLC GLC 0.831461 0.959184
8 GLC GLC ACI G6D GLC GLC 0.831461 0.959184
9 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.831461 0.979592
10 GLC GLC AGL HMC GLC 0.831461 0.959184
11 GLC GLC DAF BGC 0.831461 0.959184
12 AGL GLC HMC AGL GLC BGC 0.813187 0.979592
13 GLC ACI G6D GLC 0.786517 0.959184
14 GLC ACI GLD GAL 0.786517 0.959184
15 BGC GLC DAF GLC GLC GLC DAF 0.73 0.960784
16 7SA 0.571429 0.959184
17 QPS 0.534653 0.918367
18 ACR 0.534653 0.918367
19 DAF GLC GLC 0.525253 0.843137
20 ACI GLD GLC GAL 0.525253 0.843137
21 DAF BGC GLC 0.525253 0.843137
22 AAO 0.495413 0.918367
23 ARE 0.495413 0.918367
24 ACG 0.490909 0.918367
25 AC1 GLC AC1 BGC 0.485981 0.882353
26 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.485981 0.882353
27 DAF GLC DAF GLC GLC 0.485981 0.882353
28 BGC GLC AC1 GLC GLC GLC AC1 0.485981 0.882353
29 GLC GLC G6D ACI GLC GLC GLC 0.485981 0.843137
30 ACI G6D GLC ACI G6D BGC 0.485981 0.882353
31 ACI GLD GLC ACI G6D BGC 0.485981 0.882353
32 3SA 0.485149 0.918367
33 DAF GLC 0.474747 0.843137
34 DAF BGC 0.474747 0.843137
35 GLC G6D ACI GLC 0.448598 0.843137
36 GLC ACI G6D BGC 0.448598 0.843137
37 GLC G6D ADH GLC 0.448598 0.843137
38 GLC ACI GLD GLC 0.448598 0.843137
39 ABC 0.435897 0.918367
40 QV4 0.432432 0.918367
41 HMC AGL GLC 0.428571 0.862745
42 BGC BGC BGC BGC BGC BGC 0.41573 0.673469
43 BGC GLC GLC GLC 0.41573 0.673469
44 GLC GLC BGC 0.41573 0.673469
45 CTT 0.41573 0.673469
46 MAN BMA BMA BMA BMA BMA 0.41573 0.673469
47 BGC BGC BGC BGC BGC 0.41573 0.673469
48 MT7 0.41573 0.673469
49 CEY 0.41573 0.673469
50 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.41573 0.673469
51 BMA MAN BMA 0.41573 0.673469
52 B4G 0.41573 0.673469
53 GLC BGC BGC 0.41573 0.673469
54 GLA GAL GLC 0.41573 0.673469
55 CT3 0.41573 0.673469
56 GLA GAL BGC 0.41573 0.673469
57 CE6 0.41573 0.673469
58 BMA BMA BMA BMA BMA BMA 0.41573 0.673469
59 CEX 0.41573 0.673469
60 GLC GLC GLC GLC GLC 0.41573 0.673469
61 DXI 0.41573 0.673469
62 MTT 0.41573 0.673469
63 GLC BGC GLC 0.41573 0.673469
64 CE5 0.41573 0.673469
65 BGC BGC BGC BGC 0.41573 0.673469
66 GAL GAL GAL 0.41573 0.673469
67 CE8 0.41573 0.673469
68 BGC GLC GLC GLC GLC 0.41573 0.673469
69 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.41573 0.673469
70 CTR 0.41573 0.673469
71 BMA BMA BMA 0.41573 0.673469
72 GLC GAL GAL 0.41573 0.673469
73 GLC BGC BGC BGC BGC BGC 0.41573 0.673469
74 BGC GLC GLC 0.41573 0.673469
75 MAN MAN BMA BMA BMA BMA 0.41573 0.673469
76 GLC BGC BGC BGC BGC 0.41573 0.673469
77 BGC BGC GLC 0.41573 0.673469
78 BGC BGC BGC 0.41573 0.673469
79 BGC GLC GLC GLC GLC GLC GLC 0.41573 0.673469
80 MLR 0.41573 0.673469
81 MAN BMA BMA 0.41573 0.673469
82 BGC BGC BGC GLC 0.41573 0.673469
83 GLC BGC BGC BGC 0.41573 0.673469
84 MAN BMA BMA BMA BMA 0.41573 0.673469
85 BMA BMA BMA BMA BMA 0.41573 0.673469
86 IAB 0.40678 0.918367
87 6SA 0.403226 0.918367
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4W93; Ligand: 3L9; Similar sites found with APoc: 115
This union binding pocket(no: 1) in the query (biounit: 4w93.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 5CQG 55C 1.20968
2 6A20 ADP 1.373
3 4IEE AGS 1.42857
4 1KTC NGA 1.7284
5 3CV2 OXL 1.81452
6 5WS9 OXL 1.89474
7 6H8S FSZ 1.99336
8 3H55 GLA 2
9 1KJ8 GAR 2.04604
10 2AWN ADP 2.09974
11 3DZD ADP 2.17391
12 1Q19 SSC 2.21774
13 1D8C GLV 2.21774
14 1E4I NFG 2.23714
15 3PXP MYR 2.39726
16 3TK1 GDP 2.42424
17 1VAY AZA 2.43902
18 2Y65 ADP 2.46575
19 2OG2 MLI 2.50696
20 1GOJ ADP 2.53521
21 2FSH ANP 2.62097
22 4L9Z OXL 2.65487
23 4B5W PYR 2.73438
24 2XZ9 PYR 2.77778
25 1VBH PEP 2.82258
26 3B9Q MLI 2.98013
27 1LVG ADP 3.0303
28 1BG2 ADP 3.07692
29 4L80 OXL 3.16092
30 5CGM MAL 3.22581
31 1GJW MAL 3.22581
32 4FRZ ADP 3.36788
33 5E5U MLI 3.40909
34 1VB9 GLC GLC GLC GLC GLC GLC 3.42742
35 5WCZ NOJ 3.62903
36 4KVL PLM 3.83065
37 1ESW ACR 3.83065
38 3UER BTU 3.83065
39 3UER TUR 3.83065
40 1IZC PYR 3.83481
41 3A1S GDP 3.87597
42 3EDF CE6 4.03226
43 3EDF ACX 4.03226
44 5TSH ADP 4.03226
45 2X1L ADN 4.03226
46 5NM7 GLY 4.13534
47 5C9P FUC 4.19948
48 4N49 MGT 4.20561
49 3COB ADP 4.33604
50 3CXO 3LR 4.33735
51 3CXO 1N5 4.33735
52 2XT3 ADP 4.36047
53 4WGF HX2 4.39024
54 4UYF 73B 4.54545
55 2VVG ADP 4.57143
56 1T5C ADP 4.58453
57 1F9V ADP 4.61095
58 6BS6 GLC GLC GLC GLC GLC GLC GLC 4.6371
59 6BS6 GLC GLC GLC GLC 4.6371
60 2VWT PYR 4.86891
61 3O01 DXC 5.19481
62 2BO4 FLC 5.28967
63 6A0J GLC GLC GLC GLC 5.30786
64 3Q72 GNP 5.42169
65 2D3N GLC GLC GLC GLC GLC GLC 5.56701
66 2D3N GLC 5.56701
67 2D3N GLC GLC GLC GLC 5.56701
68 2V5K OXM 5.57491
69 3PQC GDP 5.64103
70 5DO8 BGC 5.84677
71 2CBZ ATP 5.90717
72 4LC1 GDP 5.93472
73 2KIN ADP 6
74 4TVD BGC 6.25
75 2FHF GLC GLC GLC GLC 6.25
76 3NOJ PYR 6.72269
77 1G6H ADP 7.00389
78 4MG9 27K 7.05882
79 4WZ6 ATP 7.24138
80 5O74 GDP 7.61421
81 1J0I GLC GLC GLC 7.66129
82 2GDV BGC 7.7381
83 3EZ2 ADP 8.0402
84 1GXU 2HP 8.79121
85 1JJ7 ADP 8.84615
86 2PZE ATP 9.17031
87 1NBU PH2 9.2437
88 1JG9 GLC 9.47581
89 3KLL MAL 9.67742
90 4M1U A2G MBG 10
91 2ZID GLC GLC GLC 10.0806
92 3CZG GLC 10.2823
93 3GBE NOJ 10.4839
94 2PWG CTS 10.8871
95 3WY2 BGC 10.8871
96 2AK5 ARG PRO PRO LYS PRO ARG PRO ARG 10.9375
97 5BRP PNG 11.2903
98 3AXI GLC 11.8952
99 5ZCE MTT 12.5
100 3LRE ADP 12.6761
101 1P7T PYR 12.9032
102 1LWJ ACG 13.3787
103 3H4S ADP 14.0741
104 2NCD ADP 14.2857
105 4WJT NAG 14.3713
106 3VM7 GLC 14.6341
107 2YMZ LAT 15.3846
108 4HPH SUC 17.7419
109 1JDC GLC GLC GLC GLC 20.2797
110 2V7Q ADP 24
111 1QHO ABD 33.4677
112 8CGT TM6 34.4758
113 1UKQ GLC ACI G6D GLC 36.2903
114 2CXG GLC G6D ACI GLC 36.6936
115 3BMW GLC GLC G6D ACI GLC GLC GLC 38.3064
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