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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 |
---|
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NAG GAL FUC | 1 | 1 |
2 | NAG FUC | 0.796875 | 0.978261 |
3 | NAG GAL FUC FUC | 0.753425 | 0.978723 |
4 | NDG FUC GAL FUC | 0.753425 | 0.978723 |
5 | GLA NAG GAL FUC | 0.727273 | 1 |
6 | NAG GAL FUC A2G | 0.712329 | 1 |
7 | A2G GAL | 0.661765 | 0.978261 |
8 | GAL NAG GAL FUC | 0.658537 | 0.958333 |
9 | MAG GAL FUC FUC | 0.641026 | 0.958333 |
10 | MAG FUC GAL FUC | 0.641026 | 0.958333 |
11 | BGC GAL NAG GAL FUC | 0.632184 | 1 |
12 | GAL NAG GAL FUC FUC | 0.630952 | 0.978723 |
13 | NAG FUC GAL | 0.61039 | 1 |
14 | BGC GAL FUC | 0.594595 | 0.73913 |
15 | GLC GAL BGC FUC | 0.594595 | 0.73913 |
16 | A2G NAG | 0.589041 | 0.958333 |
17 | NAG GAL FUC GLA | 0.55814 | 1 |
18 | GAL FUC A2G | 0.555556 | 1 |
19 | BGC GAL NAG GAL FUC FUC | 0.553191 | 0.978723 |
20 | NAG GAL FUC FUC A2G | 0.549451 | 0.938776 |
21 | NAG FUC GAL FUC A2G | 0.549451 | 0.938776 |
22 | NAG BDP | 0.545455 | 0.897959 |
23 | XYS GAL FUC | 0.544304 | 0.723404 |
24 | NAG BDP NAG BDP NAG BDP NAG | 0.516484 | 0.92 |
25 | GLC GAL NAG GAL FUC GLA | 0.515464 | 1 |
26 | NDG GLA NAG GLC RAM | 0.514852 | 0.938776 |
27 | NDG NAG GLA NAG GLC RAM | 0.514852 | 0.938776 |
28 | NDG GAL FUC FUC | 0.511628 | 0.9 |
29 | GAL NAG FUC GAL | 0.511364 | 1 |
30 | MAG SGA FUC | 0.511111 | 0.730159 |
31 | BGC GAL FUC A2G | 0.51087 | 1 |
32 | NAG NON FUC GAL FUC | 0.510417 | 0.836364 |
33 | EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM | 0.5 | 0.92 |
34 | NAG GAL GLC NAG GLC RAM | 0.5 | 0.958333 |
35 | NAG GC4 | 0.5 | 0.897959 |
36 | BGC FUC GAL FUC A2G | 0.5 | 0.978723 |
37 | GAL FUC GAL | 0.493506 | 0.73913 |
38 | GLC GAL NAG GAL FUC A2G | 0.490196 | 0.938776 |
39 | 1GN ACY GAL 1GN BGC ACY GAL BGC | 0.489362 | 0.958333 |
40 | A2G GAL NAG | 0.482759 | 0.958333 |
41 | 4YA | 0.481481 | 0.648148 |
42 | BGC FUC GAL NAG | 0.473118 | 1 |
43 | NAG GAD | 0.470588 | 0.862745 |
44 | BHE | 0.46988 | 0.648148 |
45 | GLC BGC FUC GAL | 0.468354 | 0.73913 |
46 | BGC FUC GAL | 0.468354 | 0.73913 |
47 | NAG GAL | 0.467532 | 0.978261 |
48 | MGC GAL | 0.467532 | 0.978723 |
49 | BGC GAL FUC GLA | 0.465116 | 0.73913 |
50 | MAN MAN NAG | 0.45977 | 0.9375 |
51 | BGC FUC GAL NAG GAL | 0.459184 | 1 |
52 | NDG GLA GLC NAG GLC RAM | 0.457944 | 0.938776 |
53 | MMA MAN NAG | 0.453488 | 0.978723 |
54 | AMU | 0.447368 | 0.893617 |
55 | NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.445545 | 0.978261 |
56 | BGC GAL SIA NGA GAL FUC | 0.443548 | 0.884615 |
57 | NAG NAG BMA MAN NAG | 0.443299 | 0.938776 |
58 | BGC GAL NGA GAL | 0.443182 | 0.978261 |
59 | GLA NAG FUC GAL | 0.442105 | 0.978723 |
60 | NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN | 0.441176 | 0.978261 |
61 | A2G MBN GAL | 0.438202 | 0.9375 |
62 | HSH A2G FUC | 0.4375 | 0.836364 |
63 | MAG FUC G4S | 0.43617 | 0.692308 |
64 | MAN MAN MAN NAG NAG | 0.43617 | 0.958333 |
65 | NAG GAL GAL | 0.435294 | 0.978261 |
66 | GAL NGA A2G | 0.435294 | 0.958333 |
67 | BGC GAL NAG GAL | 0.433333 | 0.978261 |
68 | MAG FUC SGA | 0.431579 | 0.692308 |
69 | NAG BDP NAG BDP | 0.431373 | 0.867925 |
70 | NAG BDP NAG BDP NAG BDP | 0.428571 | 0.884615 |
71 | MAN MAN MAN GLC | 0.426829 | 0.717391 |
72 | MAN NAG GAL | 0.425287 | 0.978261 |
73 | MAN NAG | 0.425 | 0.978261 |
74 | GAL FUC NGA | 0.422222 | 0.918367 |
75 | NAG GAL BGC GAL | 0.422222 | 0.978261 |
76 | GAL NAG GAL | 0.420455 | 0.978261 |
77 | NAG TA5 FUC | 0.419355 | 0.681818 |
78 | NAG BMA MAN MAN NAG GAL NAG GAL | 0.419048 | 0.938776 |
79 | AMU NAG | 0.417582 | 0.92 |
80 | MBG GLA | 0.416667 | 0.723404 |
81 | A2G SER GAL | 0.41573 | 0.865385 |
82 | BMA MAN NAG | 0.41573 | 0.978261 |
83 | BGC GAL GLA NGA GAL | 0.414894 | 0.978261 |
84 | GDL NAG | 0.414634 | 0.958333 |
85 | TVD GAL | 0.4125 | 0.938776 |
86 | BMA MAN MAN NAG GAL NAG | 0.409524 | 0.958333 |
87 | GAL A2G MBN | 0.406593 | 0.918367 |
88 | GAL FUC | 0.402597 | 0.702128 |
89 | NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.401786 | 0.958333 |
90 | A2G | 0.4 | 0.869565 |
91 | NAG | 0.4 | 0.869565 |
92 | HSQ | 0.4 | 0.869565 |
93 | BM3 | 0.4 | 0.869565 |
94 | NDG | 0.4 | 0.869565 |
95 | NGA | 0.4 | 0.869565 |
96 | NDG BMA MAN MAN NAG GAL NAG | 0.4 | 0.938776 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NDG GAL FUC | 1.0000 |
2 | NAG GAL FUC | 0.9801 |
3 | GLC GAL FUC | 0.9220 |
4 | BGC FUC GAL | 0.9214 |
5 | BGC GAL FUC | 0.9106 |
6 | NAG FUC GAL | 0.8990 |
7 | MAG FUC GAL | 0.8936 |
8 | NDG FUC GAL | 0.8928 |
9 | MAG SGA FUC | 0.8580 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NDG GAL FUC | 0.9801 |
2 | GLC GAL FUC | 0.9262 |
3 | NDG FUC GAL | 0.9217 |
4 | NAG GAL FUL | 0.9030 |
5 | MAG FUC GAL | 0.8931 |