- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 44 families. | |||||
1 | 1DJR | - | GLA BEZ | n/a | n/a |
2 | 1FD7 | ic50 = 14 mM | AI1 | C20 H23 N O7 | c1ccc(cc1).... |
3 | 2XRS | - | GAL NAG GAL | n/a | n/a |
4 | 1EFI | ic50 = 12 mM | GAT | C12 H17 N O6 | c1cc(ccc1N.... |
5 | 1JQY | Ki = 12 uM | A32 | C20 H29 N3 O10 | c1c(cc(cc1.... |
6 | 1PZI | Kd = 60 uM | 1DM | C24 H36 N4 O11 | c1c(cc(cc1.... |
7 | 2XRQ | - | BGC GAL SIA NGA GAL | n/a | n/a |
8 | 1EEF | ic50 = 1.2 mM | GLA | C6 H12 O6 | C([C@@H]1[.... |
9 | 6IAL | Kd = 5 mM | BGC GAL NAG NAG GAL GAL | n/a | n/a |
10 | 1LT6 | - | GAA | C12 H15 N O8 | c1cc(cc(c1.... |
11 | 5LZI | - | 7BQ | C32 H46 N6 O15 | CC(=O)N[C@.... |
12 | 1LT5 | - | YIO GAL | n/a | n/a |
13 | 5LZJ | - | 7BT | C20 H29 N O9 | COc1cc(cc(.... |
14 | 5ELB | Kd = 1.1 mM | GAL NDG FUC FUC | n/a | n/a |
15 | 1JR0 | Kd = 12 uM | A24 | C19 H27 N3 O10 | c1c(cc(cc1.... |
16 | 6HJD | Kd = 10 mM | NDG FUC GAL | n/a | n/a |
17 | 5ELE | - | NDG GAL FUC A2G FUC | n/a | n/a |
18 | 3EFX | - | BGC FUC GAL FUC A2G | n/a | n/a |
19 | 1RF2 | ic50 = 17 uM | BV4 | C79 H123 N15 O32 | c1c(cc(cc1.... |
20 | 5ELD | Kd = 2.19 mM | NDG GAL FUC A2G FUC | n/a | n/a |
21 | 1PZJ | ic50 = 0.32 mM | 15B | C23 H37 N5 O9 | c1c(cc(cc1.... |
22 | 1G8Z | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
23 | 1CT1 | - | BGC GAL SIA NGA GAL | n/a | n/a |
24 | 5LZG | - | 7BN | C24 H39 N5 O14 | CC(=O)N[C@.... |
25 | 5ELF | Kd = 4.57 mM | BGC FUC GAL FUC A2G | n/a | n/a |
26 | 1LLR | - | FNG LNQ | n/a | n/a |
27 | 1RCV | ic50 = 29 uM | BV1 | C50 H72 N10 O20 | c1c(cc(cc1.... |
28 | 6HMW | - | FUL | C6 H12 O5 | C[C@H]1[C@.... |
29 | 1MD2 | Kd ~ 40 nM | 233 | C14 H26 N2 O8 | COC(=O)NCC.... |
30 | 1PZK | ic50 = 0.2 mM | J12 | C29 H43 N5 O8 S | c1cc(sc1)C.... |
31 | 1RDP | ic50 = 9 uM | BV3 | C63 H91 N15 O26 | c1c(cc(cc1.... |
32 | 1RD9 | ic50 = 13 uM | BV2 | C51 H79 N11 O22 | c1c(cc(cc1.... |
33 | 3CHB | - | BGC GAL SIA NGA GAL | n/a | n/a |
34 | 1EEI | ic50 = 0.7 mM | GAA | C12 H15 N O8 | c1cc(cc(c1.... |
35 | 2CHB | - | GAL SIA NGA GAL | n/a | n/a |
36 | 6HMY | - | FUC | C6 H12 O5 | C[C@H]1[C@.... |
37 | 5ELC | Kd = 1.5 mM | GAL NAG FUC FUC | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 36 families. | |||||
1 | 1DJR | - | GLA BEZ | n/a | n/a |
2 | 1FD7 | ic50 = 14 mM | AI1 | C20 H23 N O7 | c1ccc(cc1).... |
3 | 2XRS | - | GAL NAG GAL | n/a | n/a |
4 | 1EFI | ic50 = 12 mM | GAT | C12 H17 N O6 | c1cc(ccc1N.... |
5 | 1JQY | Ki = 12 uM | A32 | C20 H29 N3 O10 | c1c(cc(cc1.... |
6 | 1PZI | Kd = 60 uM | 1DM | C24 H36 N4 O11 | c1c(cc(cc1.... |
7 | 2XRQ | - | BGC GAL SIA NGA GAL | n/a | n/a |
8 | 1EEF | ic50 = 1.2 mM | GLA | C6 H12 O6 | C([C@@H]1[.... |
9 | 6IAL | Kd = 5 mM | BGC GAL NAG NAG GAL GAL | n/a | n/a |
10 | 1LT6 | - | GAA | C12 H15 N O8 | c1cc(cc(c1.... |
11 | 5LZI | - | 7BQ | C32 H46 N6 O15 | CC(=O)N[C@.... |
12 | 1LT5 | - | YIO GAL | n/a | n/a |
13 | 5LZJ | - | 7BT | C20 H29 N O9 | COc1cc(cc(.... |
14 | 5ELB | Kd = 1.1 mM | GAL NDG FUC FUC | n/a | n/a |
15 | 1JR0 | Kd = 12 uM | A24 | C19 H27 N3 O10 | c1c(cc(cc1.... |
16 | 6HJD | Kd = 10 mM | NDG FUC GAL | n/a | n/a |
17 | 5ELE | - | NDG GAL FUC A2G FUC | n/a | n/a |
18 | 3EFX | - | BGC FUC GAL FUC A2G | n/a | n/a |
19 | 1RF2 | ic50 = 17 uM | BV4 | C79 H123 N15 O32 | c1c(cc(cc1.... |
20 | 5ELD | Kd = 2.19 mM | NDG GAL FUC A2G FUC | n/a | n/a |
21 | 1PZJ | ic50 = 0.32 mM | 15B | C23 H37 N5 O9 | c1c(cc(cc1.... |
22 | 1G8Z | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
23 | 1CT1 | - | BGC GAL SIA NGA GAL | n/a | n/a |
24 | 5LZG | - | 7BN | C24 H39 N5 O14 | CC(=O)N[C@.... |
25 | 5ELF | Kd = 4.57 mM | BGC FUC GAL FUC A2G | n/a | n/a |
26 | 1LLR | - | FNG LNQ | n/a | n/a |
27 | 1RCV | ic50 = 29 uM | BV1 | C50 H72 N10 O20 | c1c(cc(cc1.... |
28 | 6HMW | - | FUL | C6 H12 O5 | C[C@H]1[C@.... |
29 | 1MD2 | Kd ~ 40 nM | 233 | C14 H26 N2 O8 | COC(=O)NCC.... |
30 | 1PZK | ic50 = 0.2 mM | J12 | C29 H43 N5 O8 S | c1cc(sc1)C.... |
31 | 1RDP | ic50 = 9 uM | BV3 | C63 H91 N15 O26 | c1c(cc(cc1.... |
32 | 1RD9 | ic50 = 13 uM | BV2 | C51 H79 N11 O22 | c1c(cc(cc1.... |
33 | 3CHB | - | BGC GAL SIA NGA GAL | n/a | n/a |
34 | 1EEI | ic50 = 0.7 mM | GAA | C12 H15 N O8 | c1cc(cc(c1.... |
35 | 2CHB | - | GAL SIA NGA GAL | n/a | n/a |
36 | 6HMY | - | FUC | C6 H12 O5 | C[C@H]1[C@.... |
37 | 5ELC | Kd = 1.5 mM | GAL NAG FUC FUC | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BGC FUC GAL FUC A2G | 1 | 1 |
2 | NAG FUC GAL FUC A2G | 0.8 | 0.959184 |
3 | BGC GAL FUC A2G | 0.797619 | 0.978723 |
4 | NAG GAL FUC FUC A2G | 0.77907 | 0.959184 |
5 | BGC FUC GAL NAG | 0.77381 | 0.978723 |
6 | GLC GAL NAG GAL FUC A2G | 0.690722 | 0.959184 |
7 | GAL FUC A2G | 0.682927 | 0.978723 |
8 | BGC FUC GAL NAG GAL | 0.631579 | 0.978723 |
9 | HSH A2G FUC | 0.630435 | 0.854545 |
10 | NAG GAL FUC GLA | 0.622222 | 0.978723 |
11 | GLC GAL NAG GAL FUC GLA | 0.606061 | 0.978723 |
12 | BGC FUC GAL | 0.6 | 0.723404 |
13 | GLC BGC FUC GAL | 0.6 | 0.723404 |
14 | BGC GAL FUC GLA | 0.586207 | 0.723404 |
15 | GLA NAG GAL FUC | 0.55914 | 0.978723 |
16 | GAL NGA A2G | 0.54023 | 0.938776 |
17 | NDG FUC GAL FUC | 0.538462 | 1 |
18 | GAL NAG GAL FUC FUC | 0.536082 | 1 |
19 | BGC GAL NGA | 0.534091 | 0.957447 |
20 | BMA MAN NAG | 0.533333 | 0.957447 |
21 | GAL NAG FUC GAL | 0.526316 | 0.978723 |
22 | NAG GAL FUC FUC | 0.521739 | 1 |
23 | BGC GAL GLA NGA | 0.515789 | 0.957447 |
24 | NDG GLA NAG GLC RAM | 0.513761 | 0.959184 |
25 | NDG NAG GLA NAG GLC RAM | 0.513761 | 0.959184 |
26 | NAG FUC GAL | 0.511111 | 0.978723 |
27 | BGC GAL NAG | 0.51087 | 0.957447 |
28 | BGC GAL NAG GAL FUC | 0.509804 | 0.978723 |
29 | NAG GAL FUC A2G | 0.505495 | 0.978723 |
30 | NDG GLA GLC NAG GLC RAM | 0.5 | 0.959184 |
31 | NAG GAL FUC | 0.5 | 0.978723 |
32 | GAL NAG GAL FUC | 0.494949 | 0.938776 |
33 | BGC GAL NAG GAL FUC FUC | 0.490566 | 1 |
34 | MAG FUC GAL FUC | 0.489362 | 0.979167 |
35 | A2G NAG | 0.488372 | 0.938776 |
36 | GDL NAG | 0.488372 | 0.938776 |
37 | MAN MAN MAN NAG NAG | 0.484848 | 0.938776 |
38 | MBG A2G | 0.482759 | 0.958333 |
39 | MAN NAG | 0.482353 | 0.957447 |
40 | MAN MAN NAG | 0.478723 | 0.918367 |
41 | NAG GAL NAG | 0.478723 | 0.938776 |
42 | GAL NGA | 0.477273 | 0.897959 |
43 | GAL FUC GAL | 0.476744 | 0.723404 |
44 | NAG FUC | 0.476744 | 0.957447 |
45 | MAG GAL FUC FUC | 0.473684 | 0.979167 |
46 | MMA MAN NAG | 0.473118 | 0.958333 |
47 | MBG NAG | 0.471264 | 0.958333 |
48 | AMU NAG | 0.46875 | 0.94 |
49 | BMA MAN MAN NAG GAL NAG | 0.46789 | 0.938776 |
50 | NAG NAG NAG NAG NAG NAG NAG NAG | 0.466667 | 0.959184 |
51 | NDG NAG NAG NAG NAG | 0.466667 | 0.959184 |
52 | NAG NAG NAG NAG NAG NAG | 0.466667 | 0.959184 |
53 | NAG NAG NAG NAG NAG | 0.466667 | 0.959184 |
54 | NAG NAG BMA MAN NAG | 0.461538 | 0.959184 |
55 | BGC GAL FUC | 0.460674 | 0.723404 |
56 | GLC GAL BGC FUC | 0.460674 | 0.723404 |
57 | GAL NAG GAL | 0.457447 | 0.957447 |
58 | 3QL | 0.451613 | 0.867925 |
59 | MAG SGA FUC | 0.45098 | 0.71875 |
60 | GAL NAG GAL NAG GAL | 0.44898 | 0.938776 |
61 | BGC GAL NGA GAL | 0.447917 | 0.957447 |
62 | GLA NAG FUC GAL | 0.446602 | 0.958333 |
63 | NDG NAG | 0.444444 | 0.959184 |
64 | EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM | 0.444444 | 0.94 |
65 | NAG BDP NAG BDP NAG BDP NAG | 0.442308 | 0.94 |
66 | HSH GLA FUC | 0.4375 | 0.636364 |
67 | NM9 NAG | 0.43299 | 0.921569 |
68 | NAG NAG NAG NAG | 0.43299 | 0.886792 |
69 | NAG NAG NAG | 0.43299 | 0.886792 |
70 | NAG NAG NAG NAG NAG NAG NAG | 0.43299 | 0.886792 |
71 | Z4S NAG NAG | 0.43 | 0.886792 |
72 | NAG GAL GLC NAG GLC RAM | 0.427184 | 0.938776 |
73 | RAM MAN GLA TYV RAM GLC MAN GLA TYV | 0.424779 | 0.734694 |
74 | BGC GAL NAG GAL | 0.424242 | 0.957447 |
75 | AH0 NAG | 0.424242 | 0.87037 |
76 | NAG NGO | 0.42268 | 0.851852 |
77 | BGC GAL GLA NGA GAL | 0.421569 | 0.957447 |
78 | MMA MAN NAG MAN NAG NAG | 0.419048 | 0.94 |
79 | RAM MAN GLA ABE | 0.417476 | 0.714286 |
80 | BMA Z4Y NAG | 0.417476 | 0.9375 |
81 | GAL SIA NGA | 0.417391 | 0.903846 |
82 | NAG NON FUC GAL FUC | 0.414414 | 0.854545 |
83 | MAG FUC SGA | 0.409524 | 0.707692 |
84 | C4W NAG FUC BMA MAN MAN NAG NAG | 0.409449 | 0.903846 |
85 | NDG BMA MAN MAN NAG GAL NAG | 0.40678 | 0.959184 |
86 | NDG GAL FUC FUC | 0.405941 | 0.92 |
87 | NAG GAL NAG GAL NAG GAL | 0.405941 | 0.959184 |
88 | NAG GAL NAG GAL | 0.405941 | 0.938776 |
89 | AMU ALA NAG DGL | 0.405172 | 0.87037 |
90 | C4W NAG FUC BMA MAN MAN NAG GAL NAG | 0.40458 | 0.810345 |
91 | LEC NGA | 0.403846 | 0.734375 |
92 | NAG AH0 | 0.403846 | 0.87037 |
93 | NDG BMA MAN MAN NAG MAN MAN | 0.403361 | 0.938776 |
94 | NAG NAG BMA MAN MAN NAG GAL NAG | 0.403361 | 0.959184 |
95 | MAG | 0.402439 | 0.895833 |
96 | 2F8 | 0.402439 | 0.895833 |
97 | GAL NAG | 0.402174 | 0.957447 |
98 | MAN NAG GAL | 0.402062 | 0.957447 |
99 | NAG NOJ NAG | 0.401961 | 0.821429 |
100 | NAG NOJ NAG NAG | 0.401961 | 0.839286 |
101 | MUB ALA NAG ZGL | 0.401709 | 0.854545 |
102 | GAL FUC NGA | 0.4 | 0.9 |
103 | YZ0 MAN MAN NAG MAN | 0.4 | 0.958333 |
104 | NGT NAG | 0.4 | 0.810345 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLC GAL FUC A2G FUC | 0.9689 |
2 | BGC GAL FUC A2G FUC | 0.9582 |
3 | NDG GAL FUC A2G FUC | 0.9370 |
4 | GLC FUC GAL FUC A2G | 0.9270 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLC FUC GAL FUC A2G | 1.0000 |
2 | BGC FUC GAL FUC A2G | 0.9270 |
3 | GLC GAL FUC A2G FUC | 0.9120 |
4 | NDG GAL FUC A2G FUC | 0.9037 |
5 | BGC GAL FUC A2G FUC | 0.8859 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BGC GAL FUC A2G FUC | 1.0000 |
2 | BGC FUC GAL FUC A2G | 0.9582 |
3 | GLC GAL FUC A2G FUC | 0.9339 |
4 | NDG GAL FUC A2G FUC | 0.9302 |
5 | GLC FUC GAL FUC A2G | 0.8859 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLC GAL FUC A2G FUC | 1.0000 |
2 | BGC FUC GAL FUC A2G | 0.9689 |
3 | BGC GAL FUC A2G FUC | 0.9339 |
4 | NDG GAL FUC A2G FUC | 0.9288 |
5 | GLC FUC GAL FUC A2G | 0.9120 |
This union binding pocket(no: 1) in the query (biounit: 1md2.bio1) has 56 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |