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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 426 families. | |||||
1 | 5MAY | Kd = 0.29 uM | FUL PK6 | n/a | n/a |
2 | 5MB1 | Kd = 0.000000064 M | FUL 7KT | n/a | n/a |
3 | 4UT5 | - | GAL NAG GAL FUC | n/a | n/a |
4 | 1OVS | - | MAN MAN | n/a | n/a |
5 | 2JDU | Kd = 0.19 uM | MFU | C7 H14 O5 | C[C@H]1[C@.... |
6 | 2JDM | Kd = 3.96 uM | MFU | C7 H14 O5 | C[C@H]1[C@.... |
7 | 6Q77 | - | DLE DLY DAL DLE DLY DLY DLE DAL ZDC | n/a | n/a |
8 | 2JDH | Kd = 310 nM | NAG TA5 FUC | n/a | n/a |
9 | 5A3O | Kd = 18.5 uM | MMA DH6 | n/a | n/a |
10 | 1OXC | - | FUC | C6 H12 O5 | C[C@H]1[C@.... |
11 | 3ZDV | Kd = 3.3 uM | MMA F1A | n/a | n/a |
12 | 2JDP | Kd = 0.25 uM | MFU | C7 H14 O5 | C[C@H]1[C@.... |
13 | 1W8H | Ka = 47000000000 M^-1 | NDG GAL FUC | n/a | n/a |
14 | 1UZV | Kd = 0.6667 uM | FUC | C6 H12 O5 | C[C@H]1[C@.... |
15 | 2BP6 | - | GXL | C6 H12 O6 | C([C@H]1[C.... |
16 | 6R35 | - | NAG FUC GAL | n/a | n/a |
17 | 2JDY | Kd = 42.9 uM | MMA | C7 H14 O6 | CO[C@@H]1[.... |
18 | 3DCQ | ic50 = 5.94 uM | 2G0 | C25 H45 N5 O8 | C[C@H]1[C@.... |
19 | 1W8F | Ka = 15600000000 M^-1 | BGC FUC GAL NAG | n/a | n/a |
20 | 1OUR | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
21 | 2JDK | Kd = 0.000000064 M | NAG T45 FUC | n/a | n/a |
22 | 2VUC | - | FUC | C6 H12 O5 | C[C@H]1[C@.... |
23 | 6S5P | - | LYS ALA ALA LYS ALA CYS NH2 ZDC | n/a | n/a |
24 | 2BOJ | Kd = 1.7 uM | ARW | C6 H12 O5 | CO[C@H]1[C.... |
25 | 1OVP | - | BDF | C6 H12 O6 | C1[C@H]([C.... |
26 | 1GZT | ic50 = 0.25 mM | FUC | C6 H12 O5 | C[C@H]1[C@.... |
27 | 2JDN | Kd = 2.78 uM | MMA | C7 H14 O6 | CO[C@@H]1[.... |
28 | 2BV4 | ic50 = 600 uM | MMA | C7 H14 O6 | CO[C@@H]1[.... |
29 | 2BOI | ic50 = 48 uM | MFU | C7 H14 O5 | C[C@H]1[C@.... |
30 | 1UQX | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 5MAY | Kd = 0.29 uM | FUL PK6 | n/a | n/a |
2 | 5MB1 | Kd = 0.000000064 M | FUL 7KT | n/a | n/a |
3 | 4UT5 | - | GAL NAG GAL FUC | n/a | n/a |
4 | 1OVS | - | MAN MAN | n/a | n/a |
5 | 2JDU | Kd = 0.19 uM | MFU | C7 H14 O5 | C[C@H]1[C@.... |
6 | 2JDM | Kd = 3.96 uM | MFU | C7 H14 O5 | C[C@H]1[C@.... |
7 | 6Q77 | - | DLE DLY DAL DLE DLY DLY DLE DAL ZDC | n/a | n/a |
8 | 2JDH | Kd = 310 nM | NAG TA5 FUC | n/a | n/a |
9 | 5A3O | Kd = 18.5 uM | MMA DH6 | n/a | n/a |
10 | 1OXC | - | FUC | C6 H12 O5 | C[C@H]1[C@.... |
11 | 3ZDV | Kd = 3.3 uM | MMA F1A | n/a | n/a |
12 | 2JDP | Kd = 0.25 uM | MFU | C7 H14 O5 | C[C@H]1[C@.... |
13 | 1W8H | Ka = 47000000000 M^-1 | NDG GAL FUC | n/a | n/a |
14 | 1UZV | Kd = 0.6667 uM | FUC | C6 H12 O5 | C[C@H]1[C@.... |
15 | 2BP6 | - | GXL | C6 H12 O6 | C([C@H]1[C.... |
16 | 6R35 | - | NAG FUC GAL | n/a | n/a |
17 | 2JDY | Kd = 42.9 uM | MMA | C7 H14 O6 | CO[C@@H]1[.... |
18 | 3DCQ | ic50 = 5.94 uM | 2G0 | C25 H45 N5 O8 | C[C@H]1[C@.... |
19 | 1W8F | Ka = 15600000000 M^-1 | BGC FUC GAL NAG | n/a | n/a |
20 | 1OUR | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
21 | 2JDK | Kd = 0.000000064 M | NAG T45 FUC | n/a | n/a |
22 | 2VUC | - | FUC | C6 H12 O5 | C[C@H]1[C@.... |
23 | 6S5P | - | LYS ALA ALA LYS ALA CYS NH2 ZDC | n/a | n/a |
24 | 2BOJ | Kd = 1.7 uM | ARW | C6 H12 O5 | CO[C@H]1[C.... |
25 | 1OVP | - | BDF | C6 H12 O6 | C1[C@H]([C.... |
26 | 1GZT | ic50 = 0.25 mM | FUC | C6 H12 O5 | C[C@H]1[C@.... |
27 | 2JDN | Kd = 2.78 uM | MMA | C7 H14 O6 | CO[C@@H]1[.... |
28 | 2BV4 | ic50 = 600 uM | MMA | C7 H14 O6 | CO[C@@H]1[.... |
29 | 2BOI | ic50 = 48 uM | MFU | C7 H14 O5 | C[C@H]1[C@.... |
30 | 1UQX | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
31 | 2WR9 | Kd = 2.6 uM | MAN MAN | n/a | n/a |
32 | 2VNV | Kd = 2.75 uM | MMA | C7 H14 O6 | CO[C@@H]1[.... |
33 | 2WRA | Kd = 26.9 uM | MAN MAN MAN | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BGC FUC GAL NAG | 1 | 1 |
2 | BGC FUC GAL NAG GAL | 0.811765 | 1 |
3 | BGC FUC GAL FUC A2G | 0.77381 | 0.978723 |
4 | GLC GAL NAG GAL FUC A2G | 0.680412 | 0.938776 |
5 | BGC GAL GLA NGA | 0.662791 | 0.978261 |
6 | BGC GAL NAG | 0.662651 | 0.978261 |
7 | GAL FUC A2G | 0.650602 | 1 |
8 | BGC FUC GAL | 0.649351 | 0.73913 |
9 | GLC BGC FUC GAL | 0.649351 | 0.73913 |
10 | NAG GAL FUC FUC A2G | 0.634409 | 0.938776 |
11 | BGC GAL FUC A2G | 0.630435 | 1 |
12 | NAG GAL NAG | 0.623529 | 0.958333 |
13 | GAL NAG FUC GAL | 0.617977 | 1 |
14 | NAG FUC GAL FUC A2G | 0.617021 | 0.938776 |
15 | GLC GAL NAG GAL FUC GLA | 0.612245 | 1 |
16 | BGC GAL NAG GAL FUC | 0.610526 | 1 |
17 | GAL NGA A2G | 0.60241 | 0.958333 |
18 | BGC GAL NAG GAL FUC FUC | 0.602041 | 0.978723 |
19 | GAL NAG GAL NAG GAL | 0.58427 | 0.958333 |
20 | GLA NAG GAL FUC | 0.582418 | 1 |
21 | BMA MAN NAG | 0.574713 | 0.978261 |
22 | GAL NAG GAL FUC FUC | 0.574468 | 0.978723 |
23 | MBG NAG | 0.567901 | 0.978723 |
24 | BGC GAL NAG GAL | 0.555556 | 0.978261 |
25 | HSH A2G FUC | 0.552083 | 0.836364 |
26 | NAG FUC GAL | 0.551724 | 1 |
27 | BGC GAL GLA NGA GAL | 0.548387 | 0.978261 |
28 | NDG NAG GLA NAG GLC RAM | 0.54717 | 0.938776 |
29 | NDG GLA NAG GLC RAM | 0.54717 | 0.938776 |
30 | NAG NAG BMA MAN NAG | 0.540816 | 0.938776 |
31 | BGC GAL NGA | 0.54023 | 0.978261 |
32 | NAG GAL NAG GAL NAG GAL | 0.532609 | 0.938776 |
33 | NAG GAL NAG GAL | 0.532609 | 0.958333 |
34 | NDG GLA GLC NAG GLC RAM | 0.53211 | 0.938776 |
35 | GAL NAG GAL | 0.52809 | 0.978261 |
36 | MAG SGA FUC | 0.515464 | 0.730159 |
37 | MMA MAN NAG | 0.511111 | 0.978723 |
38 | NAG GAL FUC FUC | 0.51087 | 0.978723 |
39 | NAG GAL FUC GLA | 0.510417 | 1 |
40 | MAN NAG | 0.506024 | 0.978261 |
41 | NDG FUC GAL FUC | 0.494624 | 0.978723 |
42 | NAG GAL GAL | 0.494382 | 0.978261 |
43 | A2G NAG | 0.494118 | 0.958333 |
44 | GDL NAG | 0.494118 | 0.958333 |
45 | MBG A2G | 0.488372 | 0.978723 |
46 | GAL NGA | 0.482759 | 0.916667 |
47 | GAL FUC GAL | 0.482353 | 0.73913 |
48 | NAG FUC | 0.482353 | 0.978261 |
49 | C4W NAG FUC BMA MAN | 0.481818 | 0.884615 |
50 | GLA NAG FUC GAL | 0.48 | 0.978723 |
51 | NAG GAL FUC A2G | 0.478261 | 1 |
52 | NAG NAG BMA MAN | 0.475248 | 0.884615 |
53 | MAN MAN MAN NAG NAG | 0.474747 | 0.958333 |
54 | NAG GAL FUC | 0.473118 | 1 |
55 | BGC GAL FUC GLA | 0.473118 | 0.73913 |
56 | BMA MAN MAN NAG GAL NAG | 0.472222 | 0.958333 |
57 | NDG NAG NAG NAG NAG | 0.47191 | 0.938776 |
58 | NAG NAG NAG NAG NAG | 0.47191 | 0.938776 |
59 | NAG NAG NAG NAG NAG NAG NAG NAG | 0.47191 | 0.938776 |
60 | NAG NAG NAG NAG NAG NAG | 0.47191 | 0.938776 |
61 | MAG FUC SGA | 0.47 | 0.692308 |
62 | GAL NAG GAL FUC | 0.47 | 0.958333 |
63 | BGC GAL NGA GAL | 0.468085 | 0.978261 |
64 | BGC GAL NAG NAG GAL GAL | 0.466667 | 0.958333 |
65 | MAG GAL FUC FUC | 0.463158 | 0.958333 |
66 | EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM | 0.462264 | 0.92 |
67 | NDG BMA MAN MAN NAG GAL NAG | 0.460177 | 0.938776 |
68 | AMU NAG | 0.458333 | 0.92 |
69 | 3QL | 0.456522 | 0.884615 |
70 | NDG BMA MAN MAN NAG MAN MAN | 0.45614 | 0.958333 |
71 | NAG NAG BMA MAN MAN NAG GAL NAG | 0.45614 | 0.938776 |
72 | GAL NAG FUC GAL SIA | 0.455285 | 0.884615 |
73 | MAN MAN NAG | 0.452632 | 0.9375 |
74 | C4W NAG FUC BMA MAN MAN NAG | 0.451613 | 0.884615 |
75 | BGC BGC BGC | 0.451219 | 0.717391 |
76 | BGC BGC BGC BGC BGC | 0.451219 | 0.717391 |
77 | BGC BGC BGC BGC BGC BGC | 0.451219 | 0.717391 |
78 | BGC BGC BGC BGC BGC BGC BGC | 0.451219 | 0.717391 |
79 | GLC BGC BGC BGC | 0.451219 | 0.717391 |
80 | NDG NAG | 0.449438 | 0.938776 |
81 | MAG FUC GAL FUC | 0.447917 | 0.958333 |
82 | C4W NAG FUC BMA MAN MAN NAG NAG | 0.447154 | 0.884615 |
83 | NAG BDP NAG BDP NAG BDP NAG | 0.446602 | 0.92 |
84 | AH0 NAG | 0.443299 | 0.851852 |
85 | C4W NAG FUC BMA MAN MAN NAG GAL NAG | 0.440945 | 0.793103 |
86 | NAG NAG NAG NAG NAG NAG NAG | 0.4375 | 0.867925 |
87 | NAG NAG NAG | 0.4375 | 0.867925 |
88 | NAG NAG NAG NAG | 0.4375 | 0.867925 |
89 | MAN NAG GAL | 0.43617 | 0.978261 |
90 | Z4S NAG NAG | 0.434343 | 0.867925 |
91 | GLC GAL BGC FUC | 0.433333 | 0.73913 |
92 | BGC GAL FUC | 0.433333 | 0.73913 |
93 | GAL 2NA NAG | 0.432432 | 0.865385 |
94 | NAG GAL GLC NAG GLC RAM | 0.431373 | 0.958333 |
95 | NAG NAG FUL BMA MAN MAN NAG GAL | 0.430894 | 0.867925 |
96 | BGC GAL GLA | 0.430233 | 0.717391 |
97 | NAG NGO | 0.427083 | 0.867925 |
98 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.426966 | 0.717391 |
99 | NAG NAG MAN MAN MAN | 0.425926 | 0.958333 |
100 | 1GN ACY GAL 1GN BGC ACY GAL BGC | 0.424528 | 0.958333 |
101 | NAG NAG BMA MAN MAN NAG NAG | 0.423729 | 0.867925 |
102 | NM9 NAG | 0.42268 | 0.901961 |
103 | BMA Z4Y NAG | 0.421569 | 0.957447 |
104 | GAL SIA NGA | 0.421053 | 0.884615 |
105 | NAG FUC GAL SIA | 0.418033 | 0.884615 |
106 | YZ0 MAN MAN NAG MAN | 0.416667 | 0.978723 |
107 | NAG BMA MAN MAN NAG GAL NAG GAL | 0.415929 | 0.938776 |
108 | A2G GAL NAG | 0.414141 | 0.958333 |
109 | C4W NAG FUC BMA | 0.412844 | 0.884615 |
110 | MMA MAN NAG MAN NAG NAG | 0.409524 | 0.92 |
111 | MGC GAL | 0.409091 | 0.978723 |
112 | NAG GAL | 0.409091 | 0.978261 |
113 | A2G GAL | 0.409091 | 0.978261 |
114 | LEC NGA | 0.407767 | 0.71875 |
115 | 2F8 | 0.407407 | 0.914894 |
116 | MAG | 0.407407 | 0.914894 |
117 | GAL NAG | 0.406593 | 0.978261 |
118 | NAG NOJ NAG NAG | 0.405941 | 0.821429 |
119 | NAG NOJ NAG | 0.405941 | 0.836364 |
120 | MAN MAN M6P | 0.404255 | 0.6 |
121 | NGT NAG | 0.40404 | 0.793103 |
122 | MAG FUC G4S | 0.403846 | 0.692308 |
123 | BGC GAL NAG GAL SIA | 0.403101 | 0.867925 |
124 | C4W NAG FUC BMA MAN NAG | 0.401639 | 0.884615 |
125 | Z3Q NGA | 0.4 | 0.779661 |
126 | NAG NAG BMA | 0.4 | 0.884615 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GLC BGC FUC GAL | 1 | 1 |
2 | BGC FUC GAL | 1 | 1 |
3 | GAL FUC GAL | 0.666667 | 1 |
4 | BGC FUC GAL NAG GAL | 0.6625 | 0.73913 |
5 | NAG FUC GAL | 0.652174 | 0.73913 |
6 | BGC FUC GAL NAG | 0.649351 | 0.73913 |
7 | BGC GAL FUC GLA | 0.633803 | 1 |
8 | GAL NAG FUC GAL | 0.618421 | 0.73913 |
9 | BGC FUC GAL FUC A2G | 0.6 | 0.723404 |
10 | BGC GAL FUC | 0.588235 | 1 |
11 | GLC GAL BGC FUC | 0.588235 | 1 |
12 | NAG GAL FUC GLA | 0.55 | 0.73913 |
13 | NAG GAL FUC FUC | 0.532468 | 0.723404 |
14 | GLA NAG FUC GAL | 0.53012 | 0.723404 |
15 | HSH GLA FUC | 0.526316 | 0.790698 |
16 | GAL GLA | 0.52459 | 0.970588 |
17 | GLC GLC GLC GLC BGC GLC GLC | 0.515625 | 0.970588 |
18 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.515625 | 0.970588 |
19 | MAN BMA BMA BMA BMA BMA BMA | 0.515625 | 0.970588 |
20 | NDG FUC GAL FUC | 0.512821 | 0.723404 |
21 | GAL NAG GAL FUC FUC | 0.511905 | 0.723404 |
22 | GLC GAL NAG GAL FUC GLA | 0.505495 | 0.73913 |
23 | NDG GAL FUC FUC | 0.5 | 0.693878 |
24 | NAG GAL FUC A2G | 0.493506 | 0.73913 |
25 | FUC GAL | 0.492308 | 0.970588 |
26 | GAL FUC A2G | 0.487179 | 0.73913 |
27 | GLC BGC BGC BGC | 0.484848 | 0.970588 |
28 | BGC BGC BGC | 0.484848 | 0.970588 |
29 | BGC BGC BGC BGC BGC BGC BGC | 0.484848 | 0.970588 |
30 | BGC BGC BGC BGC BGC | 0.484848 | 0.970588 |
31 | BGC BGC BGC BGC BGC BGC | 0.484848 | 0.970588 |
32 | GAL FUC | 0.484848 | 0.942857 |
33 | BGC GAL FUC A2G | 0.482759 | 0.73913 |
34 | GLA NAG GAL FUC | 0.481928 | 0.73913 |
35 | NAG FUC | 0.478873 | 0.717391 |
36 | BGC GAL NAG GAL FUC FUC | 0.478261 | 0.723404 |
37 | MAG GAL FUC FUC | 0.475 | 0.708333 |
38 | XYS GAL FUC | 0.473684 | 0.971429 |
39 | NAG GAL FUC FUC A2G | 0.47191 | 0.693878 |
40 | NAG GAL | 0.471429 | 0.755556 |
41 | NAG GAL FUC | 0.468354 | 0.73913 |
42 | BGC GAL NAG GAL FUC | 0.466667 | 0.73913 |
43 | NDG GAL | 0.464789 | 0.607143 |
44 | GCU BGC | 0.463768 | 0.888889 |
45 | BGC GAL NGA GAL | 0.4625 | 0.755556 |
46 | MGL GAL | 0.461538 | 0.971429 |
47 | BMA MAN MAN MAN | 0.461538 | 0.944444 |
48 | BGC GLA GAL | 0.460317 | 0.970588 |
49 | BGC GAL GLA | 0.457143 | 0.970588 |
50 | GAL FUC NGA | 0.45679 | 0.708333 |
51 | MAG FUC GAL FUC | 0.45679 | 0.708333 |
52 | GAL NAG GAL | 0.455696 | 0.755556 |
53 | NAG FUC GAL FUC A2G | 0.455556 | 0.693878 |
54 | BHE | 0.454545 | 0.790698 |
55 | RR7 GLC | 0.454545 | 0.916667 |
56 | MAN GLA ABE | 0.454545 | 0.944444 |
57 | GAL SO4 GAL | 0.452055 | 0.647059 |
58 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.452055 | 0.970588 |
59 | MAN BMA BMA | 0.450704 | 0.916667 |
60 | A2G GAL | 0.450704 | 0.755556 |
61 | BQZ | 0.45 | 0.882353 |
62 | GLC BGC G6D ACI | 0.448276 | 0.755556 |
63 | 4YA | 0.447368 | 0.790698 |
64 | BGC GLC AGL GLC GLC GLC | 0.447059 | 0.73913 |
65 | GLC GLC GLC G6D ACI GLC GLC | 0.444444 | 0.755556 |
66 | BMA MAN MAN | 0.444444 | 0.970588 |
67 | MAN IPD MAN | 0.441176 | 0.767442 |
68 | MBG GLA | 0.4375 | 0.971429 |
69 | IPD MAN | 0.434783 | 0.72093 |
70 | GLC GAL NAG GAL FUC A2G | 0.434343 | 0.693878 |
71 | BGC GAL NAG GAL | 0.433735 | 0.755556 |
72 | NAG BMA | 0.432432 | 0.673469 |
73 | MGC GAL | 0.430556 | 0.723404 |
74 | TVD GAL | 0.430556 | 0.693878 |
75 | G2F SHG BGC BGC | 0.430556 | 0.868421 |
76 | BGC GAL GLA NGA GAL | 0.430233 | 0.755556 |
77 | GAL NAG GAL NAG GAL | 0.428571 | 0.708333 |
78 | ARE | 0.425532 | 0.755556 |
79 | EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM | 0.425532 | 0.68 |
80 | AAO | 0.425532 | 0.755556 |
81 | MAN MAN MAN | 0.425 | 0.942857 |
82 | GLC GLC AC1 | 0.424658 | 0.767442 |
83 | MAN MAN | 0.424242 | 0.914286 |
84 | BMA BMA BMA BMA GLA | 0.423077 | 0.970588 |
85 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.423077 | 0.970588 |
86 | BGC XGP | 0.422535 | 0.767442 |
87 | ACG | 0.421053 | 0.717391 |
88 | GLC GLC AGL HMC | 0.419355 | 0.73913 |
89 | RAM MAN GLA TYV RAM GLC MAN GLA TYV | 0.418367 | 0.894737 |
90 | RZM | 0.41791 | 0.673913 |
91 | MBG GAL | 0.41791 | 0.971429 |
92 | NAG GAL GAL | 0.417722 | 0.755556 |
93 | MMA GLA ABE | 0.417722 | 0.894737 |
94 | NDG GLA GLC NAG GLC RAM | 0.417476 | 0.693878 |
95 | GPM GLC | 0.416667 | 0.75 |
96 | NDG NAG GLA NAG GLC RAM | 0.415842 | 0.693878 |
97 | NDG GLA NAG GLC RAM | 0.415842 | 0.693878 |
98 | GAL NAG GAL FUC | 0.41573 | 0.708333 |
99 | BGC OXZ | 0.414286 | 0.653061 |
100 | GLC EDO GLC | 0.414286 | 0.916667 |
101 | G2F BGC BGC BGC BGC BGC | 0.413333 | 0.846154 |
102 | BGC GLC GLC | 0.413333 | 0.970588 |
103 | GLC GLC G6D ACI | 0.413043 | 0.723404 |
104 | BGC GAL NGA | 0.4125 | 0.755556 |
105 | 7D1 MAN | 0.411765 | 0.864865 |
106 | BGC 5VQ GAL GLA | 0.410959 | 0.918919 |
107 | BGC GLC GLD GLC ACI GLD GLC ACI G6D | 0.410526 | 0.673469 |
108 | GLC GLC G6D GLC ACI GLC | 0.410526 | 0.723404 |
109 | GLC GLC AC1 GLC GLC GLC | 0.410526 | 0.723404 |
110 | GLC GLC AGL HMC GLC | 0.410526 | 0.723404 |
111 | BGC GLC GLC GLC | 0.410256 | 0.970588 |
112 | XYS GLC GLC | 0.410256 | 0.942857 |
113 | GLC GLC GLC GLC GLC | 0.410256 | 0.970588 |
114 | AHR FUB | 0.409836 | 0.833333 |
115 | MAN NAG GAL | 0.407407 | 0.755556 |
116 | AOG FUC | 0.407407 | 0.653846 |
117 | NAG GAL BGC GAL | 0.404762 | 0.755556 |
118 | ABL | 0.402778 | 0.6875 |
119 | BGC OXZ BGC | 0.402597 | 0.673469 |
120 | BGC BGC XYS GAL | 0.402439 | 0.916667 |
121 | C4W NAG FUC BMA | 0.4 | 0.653846 |
122 | 5QP | 0.4 | 0.861111 |
123 | BGC BGC BGC BGC | 0.4 | 0.970588 |
124 | BGC BGC BGC XYS BGC XYS | 0.4 | 0.916667 |
125 | AIG FUC | 0.4 | 0.653846 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BGC FUC GAL NAG GAL | 1 | 1 |
2 | BGC FUC GAL NAG | 0.811765 | 1 |
3 | GAL NAG GAL NAG GAL | 0.75 | 0.958333 |
4 | GAL NAG GAL | 0.690476 | 0.978261 |
5 | NAG GAL NAG GAL | 0.689655 | 0.958333 |
6 | NAG GAL NAG GAL NAG GAL | 0.689655 | 0.938776 |
7 | GLC BGC FUC GAL | 0.6625 | 0.73913 |
8 | BGC FUC GAL | 0.6625 | 0.73913 |
9 | GAL NAG FUC GAL | 0.648352 | 1 |
10 | BGC GAL NAG GAL FUC FUC | 0.646465 | 0.978723 |
11 | GLC GAL NAG GAL FUC GLA | 0.64 | 1 |
12 | BGC FUC GAL FUC A2G | 0.631579 | 0.978723 |
13 | BGC GAL NAG GAL FUC | 0.622449 | 1 |
14 | NAG NAG BMA MAN | 0.614583 | 0.884615 |
15 | C4W NAG FUC BMA MAN | 0.609524 | 0.884615 |
16 | GLC GAL NAG GAL FUC A2G | 0.609524 | 0.938776 |
17 | BGC GAL GLA NGA | 0.602151 | 0.978261 |
18 | BGC GAL NAG NAG GAL GAL | 0.6 | 0.958333 |
19 | BGC GAL GLA NGA GAL | 0.595745 | 0.978261 |
20 | BGC GAL NAG GAL | 0.586957 | 0.978261 |
21 | MAN NAG GAL | 0.58427 | 0.978261 |
22 | BGC GAL NAG | 0.582418 | 0.978261 |
23 | NAG GAL GAL | 0.579545 | 0.978261 |
24 | NAG GAL FUC GLA | 0.572917 | 1 |
25 | GAL NAG GAL FUC FUC | 0.571429 | 0.978723 |
26 | NAG FUC GAL | 0.566667 | 1 |
27 | NAG GAL NAG | 0.565217 | 0.958333 |
28 | NAG NAG BMA MAN NAG | 0.554455 | 0.938776 |
29 | NAG NAG MAN MAN MAN | 0.553398 | 0.958333 |
30 | GLA NAG GAL FUC | 0.546392 | 1 |
31 | BGC GAL FUC A2G | 0.544554 | 1 |
32 | NAG NAG FUL BMA MAN MAN NAG GAL | 0.542373 | 0.867925 |
33 | C4W NAG FUC BMA | 0.538462 | 0.884615 |
34 | NAG BMA MAN MAN NAG GAL NAG GAL | 0.537037 | 0.938776 |
35 | NAG NAG BMA | 0.536842 | 0.884615 |
36 | BMA MAN MAN NAG GAL NAG | 0.527778 | 0.958333 |
37 | GAL FUC A2G | 0.521277 | 1 |
38 | NAG GAL FUC FUC A2G | 0.519231 | 0.938776 |
39 | BGC GAL NGA GAL | 0.515789 | 0.978261 |
40 | NDG BMA MAN MAN NAG GAL NAG | 0.513274 | 0.938776 |
41 | GLA NAG FUC GAL | 0.509804 | 0.978723 |
42 | NAG NAG BMA MAN MAN NAG GAL NAG | 0.508772 | 0.938776 |
43 | BMA MAN NAG | 0.505263 | 0.978261 |
44 | BGC GAL FUC GLA | 0.505263 | 0.73913 |
45 | NAG FUC GAL FUC A2G | 0.504762 | 0.938776 |
46 | C4W NAG FUC BMA MAN MAN NAG | 0.5 | 0.884615 |
47 | NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.5 | 0.958333 |
48 | BGC GAL NAG GAL SIA | 0.496 | 0.867925 |
49 | NAG GAL FUC FUC | 0.494845 | 0.978723 |
50 | NAG GAL FUC A2G | 0.494737 | 1 |
51 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.494382 | 0.717391 |
52 | NAG GAL | 0.494253 | 0.978261 |
53 | NAG NAG BMA MAN MAN MAN MAN | 0.491525 | 0.884615 |
54 | BGC GAL NGA | 0.489362 | 0.978261 |
55 | C4W NAG FUC BMA MAN MAN NAG GAL NAG | 0.488189 | 0.793103 |
56 | MAG SGA FUC | 0.485437 | 0.730159 |
57 | GAL FUC GAL | 0.483146 | 0.73913 |
58 | BGC GAL GLA | 0.482759 | 0.717391 |
59 | NAG NAG BMA BMA | 0.480392 | 0.851852 |
60 | NDG FUC GAL FUC | 0.479592 | 0.978723 |
61 | GAL NGA A2G | 0.478723 | 0.958333 |
62 | NDG GLA GLC NAG GLC RAM | 0.478632 | 0.938776 |
63 | NDG NAG GLA NAG GLC RAM | 0.478261 | 0.938776 |
64 | NDG GLA NAG GLC RAM | 0.478261 | 0.938776 |
65 | NAG GAL NAG GAL SIA | 0.47619 | 0.867925 |
66 | NDG NAG NAG NAG NAG | 0.473118 | 0.938776 |
67 | NAG NAG NAG NAG NAG NAG NAG NAG | 0.473118 | 0.938776 |
68 | NAG NAG NAG NAG NAG NAG | 0.473118 | 0.938776 |
69 | NAG NAG NAG NAG NAG | 0.473118 | 0.938776 |
70 | BGC BGC BGC BGC BGC | 0.470588 | 0.717391 |
71 | GLC BGC BGC BGC | 0.470588 | 0.717391 |
72 | BGC BGC BGC | 0.470588 | 0.717391 |
73 | BGC BGC BGC BGC BGC BGC | 0.470588 | 0.717391 |
74 | BGC BGC BGC BGC BGC BGC BGC | 0.470588 | 0.717391 |
75 | EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM | 0.463636 | 0.92 |
76 | C4W NAG FUC BMA MAN NAG GAL | 0.46281 | 0.793103 |
77 | TVD GAL | 0.460674 | 0.938776 |
78 | C4W NAG FUC BMA MAN MAN NAG NAG | 0.460317 | 0.884615 |
79 | NAG GAL FUC | 0.459184 | 1 |
80 | NDG BMA MAN MAN NAG MAN MAN | 0.457627 | 0.958333 |
81 | NAG BMA MAN MAN MAN MAN | 0.453704 | 0.978261 |
82 | GLC GAL BGC FUC | 0.451613 | 0.73913 |
83 | BGC GAL FUC | 0.451613 | 0.73913 |
84 | NAG FUC | 0.450549 | 0.978261 |
85 | NAG NAG NAG TMX | 0.45 | 0.793103 |
86 | MAG GAL FUC FUC | 0.45 | 0.958333 |
87 | HSH A2G FUC | 0.448598 | 0.836364 |
88 | MBG NAG | 0.445652 | 0.978723 |
89 | GAL NAG FUC GAL SIA | 0.445312 | 0.884615 |
90 | MAG FUC SGA | 0.443396 | 0.692308 |
91 | GAL NAG GAL FUC | 0.443396 | 0.958333 |
92 | NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.442478 | 0.978261 |
93 | NAG NAG NAG NAG NAG NAG NAG | 0.44 | 0.867925 |
94 | NAG NAG NAG NAG | 0.44 | 0.867925 |
95 | NAG NAG NAG | 0.44 | 0.867925 |
96 | C4W NAG FUC BMA MAN NAG | 0.439024 | 0.884615 |
97 | NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN | 0.438596 | 0.978261 |
98 | NAG NAG BMA MAN MAN NAG NAG | 0.438017 | 0.867925 |
99 | Z4S NAG NAG | 0.436893 | 0.867925 |
100 | NAG GAL BGC GAL | 0.435644 | 0.978261 |
101 | MAG FUC GAL FUC | 0.435644 | 0.958333 |
102 | GDL NAG | 0.430108 | 0.958333 |
103 | MGC GAL | 0.428571 | 0.978723 |
104 | A2G GAL | 0.428571 | 0.978261 |
105 | 1GN ACY GAL 1GN BGC ACY GAL BGC | 0.427273 | 0.958333 |
106 | BGC GAL SIA NGA GAL FUC | 0.42029 | 0.884615 |
107 | MMA MAN NAG | 0.42 | 0.978723 |
108 | HSH GLA FUC | 0.415842 | 0.648148 |
109 | NAG BMA | 0.414894 | 0.88 |
110 | BGC GAL GLA NGA GAL SIA | 0.412214 | 0.884615 |
111 | GAL GLA | 0.411765 | 0.717391 |
112 | MAN MAN MAN GLC | 0.410526 | 0.717391 |
113 | MBG A2G | 0.410526 | 0.978723 |
114 | NAG NOJ NAG NAG | 0.409524 | 0.821429 |
115 | NAG NOJ NAG | 0.409524 | 0.836364 |
116 | NAG FUC GAL SIA | 0.409449 | 0.884615 |
117 | GLC GLC GLC GLC BGC GLC GLC | 0.409091 | 0.717391 |
118 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.409091 | 0.717391 |
119 | MAN BMA BMA BMA BMA BMA BMA | 0.409091 | 0.717391 |
120 | RAM MAN GLA ABE RAM MAN GLA | 0.408333 | 0.714286 |
121 | MAN MAN M6P | 0.408163 | 0.6 |
122 | MAN MAN MAN NAG NAG | 0.407407 | 0.958333 |
123 | RAM MAN GLA TYV RAM GLC MAN GLA TYV | 0.40678 | 0.714286 |
124 | NAG TA5 FUC | 0.40566 | 0.681818 |
125 | RAM MAN GLA ABE RAM MAN GLA ABE | 0.405172 | 0.714286 |
126 | BGC BGC BGC BGC | 0.40404 | 0.717391 |
127 | SIA GAL NGA GAL | 0.4 | 0.884615 |
No: | Ligand | Similarity coefficient |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NDG GAL FUC | 0.9214 |
2 | MAG FUC GAL | 0.9113 |
3 | NDG FUC GAL | 0.9021 |
No: | Ligand | Similarity coefficient |
---|