- 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 GAL SIA NGA GAL | 1 | 1 |
2 | BGC GAL SIA NGA GAL SIA | 0.917431 | 1 |
3 | BGC GAL SIA NGA GAL FUC | 0.841667 | 1 |
4 | SIA GAL NGA GAL | 0.834862 | 1 |
5 | BGC GAL SIA NAG | 0.830357 | 1 |
6 | GAL NGA GAL SIA | 0.818182 | 1 |
7 | BGC GAL GLA NGA GAL SIA | 0.794872 | 1 |
8 | GAL SIA NGA GAL SIA | 0.769912 | 1 |
9 | BGC GAL SIA NGA SIA | 0.738095 | 0.981132 |
10 | GAL NGA GAL SIA SIA | 0.725806 | 0.981132 |
11 | GAL SIA NGA GAL | 0.724138 | 0.981132 |
12 | GAL SIA NGA GAL SIA SIA | 0.690476 | 0.981132 |
13 | BGC GAL SIA SIA | 0.674797 | 0.981132 |
14 | GAL SIA NGA | 0.663793 | 1 |
15 | GLC GAL NGC | 0.65812 | 0.924528 |
16 | BGC CEQ GAL SLB NGA GAL SIA SIA | 0.652482 | 0.83871 |
17 | BGC GAL SIA | 0.649573 | 0.943396 |
18 | BGC 18C GAL SIA NGA GAL | 0.642384 | 0.83871 |
19 | NAG GAL SIA | 0.641026 | 1 |
20 | A2G GAL SIA | 0.632479 | 1 |
21 | BGC GAL NAG GAL SIA | 0.630769 | 0.981132 |
22 | GAL NAG FUC GAL SIA | 0.603053 | 1 |
23 | GAL NAG GAL SIA | 0.6 | 0.981132 |
24 | NAG GAL NGC | 0.592 | 0.962264 |
25 | NAG GAL SIA SIA | 0.582677 | 0.981132 |
26 | NAG FUC GAL SIA | 0.581395 | 1 |
27 | MAG FUC GAL SIA | 0.581395 | 0.962264 |
28 | NGS GAL SIA | 0.578125 | 0.787879 |
29 | NGA GAL SIA | 0.576 | 0.980769 |
30 | NDG GAL SIA SIA | 0.55814 | 0.945455 |
31 | BGC GAL NAG GAL | 0.554545 | 0.865385 |
32 | NAG GAL NAG GAL SIA | 0.551471 | 0.981132 |
33 | BGC GAL NGA GAL | 0.550459 | 0.865385 |
34 | BGC GAL GLA NGA GAL | 0.548673 | 0.865385 |
35 | NAG 2FG SIA | 0.547619 | 0.928571 |
36 | NGA POL GAL NGC AZI | 0.532847 | 0.784615 |
37 | 2FG SIA | 0.529915 | 0.892857 |
38 | NGS FUC GLA SIA | 0.528571 | 0.787879 |
39 | CEQ BGC NGA GAL SIA SIA | 0.526316 | 0.8 |
40 | NAG GAL PKM | 0.523077 | 0.981132 |
41 | Z3Q GAL 5N6 | 0.518248 | 0.83871 |
42 | BGC 16C GAL SIA | 0.506579 | 0.83871 |
43 | GAL 5N6 | 0.5 | 0.962264 |
44 | NAG GAL 5N6 | 0.5 | 0.962963 |
45 | GAL SIA SIA | 0.496063 | 0.981132 |
46 | BGC 18C GAL SIA | 0.490323 | 0.83871 |
47 | MBG NGC | 0.483607 | 0.907407 |
48 | BGC GAL NAG GAL FUC | 0.472 | 0.884615 |
49 | GLC GAL NAG GAL FUC GLA | 0.465116 | 0.884615 |
50 | GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ | 0.456954 | 0.945455 |
51 | C4W NAG FUC BMA MAN NAG GAL SIA | 0.450617 | 0.852459 |
52 | BGC GAL GLA NGA | 0.45 | 0.865385 |
53 | BGC GAL NAG GAL FUC FUC | 0.446154 | 0.903846 |
54 | BGC GAL NAG | 0.444444 | 0.865385 |
55 | C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG | 0.44186 | 0.852459 |
56 | GAL SIA | 0.429752 | 0.924528 |
57 | GLC GAL NAG GAL FUC A2G | 0.426471 | 0.942308 |
58 | SIA CMO | 0.423423 | 0.87037 |
59 | BGC GAL NGA | 0.422414 | 0.865385 |
60 | BGC GAL NAG NAG GAL GAL | 0.412214 | 0.923077 |
61 | BGC GAL GLA | 0.4 | 0.634615 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1jqy.bio3) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1jqy.bio3) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1jqy.bio3) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1jqy.bio3) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1jqy.bio3) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1jqy.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 1jqy.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 1jqy.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 1jqy.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 10) in the query (biounit: 1jqy.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 11) in the query (biounit: 1jqy.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 12) in the query (biounit: 1jqy.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 13) in the query (biounit: 1jqy.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 14) in the query (biounit: 1jqy.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |