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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 | YIO GAL | 1 | 1 |
2 | QWJ | 0.608696 | 0.918919 |
3 | SGC BGC | 0.568182 | 0.971429 |
4 | IPT | 0.552632 | 0.810811 |
5 | MA1 GLC | 0.543478 | 1 |
6 | SGC SGC BGC | 0.520833 | 0.971429 |
7 | U2A BGC | 0.520833 | 0.894737 |
8 | Z4R MAN | 0.510204 | 0.894737 |
9 | SSG SGC SSG GLC | 0.5 | 1 |
10 | MA3 SGC SSG SSG BGC | 0.471698 | 0.894737 |
11 | GTM SGC SGC BGC | 0.471698 | 0.894737 |
12 | MSX MAN | 0.428571 | 0.944444 |
13 | HTG | 0.42 | 0.744186 |
14 | SOG | 0.411765 | 0.744186 |
15 | 7K2 | 0.407407 | 0.75 |
16 | GLC GLC | 0.405405 | 0.771429 |
17 | GAL | 0.405405 | 0.771429 |
18 | GXL | 0.405405 | 0.771429 |
19 | WOO | 0.405405 | 0.771429 |
20 | ALL | 0.405405 | 0.771429 |
21 | BMA | 0.405405 | 0.771429 |
22 | GLC | 0.405405 | 0.771429 |
23 | BGC GAL | 0.405405 | 0.771429 |
24 | MAN | 0.405405 | 0.771429 |
25 | BGC | 0.405405 | 0.771429 |
26 | GLA | 0.405405 | 0.771429 |
27 | GAL GAL | 0.405405 | 0.771429 |
28 | GIV | 0.405405 | 0.771429 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | TWJ SDY | 0.9343 |
2 | GLC GAL | 0.9301 |
3 | MHD GAL | 0.9241 |
4 | GAL BGC | 0.9075 |
5 | FRU GAL | 0.9055 |
6 | BGC BGC | 0.8926 |
7 | ISX | 0.8795 |
8 | GLA GLA | 0.8769 |
9 | 145 | 0.8769 |
10 | MBG GAL | 0.8742 |
11 | BK1 | 0.8717 |
12 | GLC BGC | 0.8660 |
13 | GLC GLA | 0.8639 |
14 | BGC GLA | 0.8603 |
15 | XYS XYP | 0.8582 |
16 | NGA GAL | 0.8576 |
17 | 56N | 0.8546 |
18 | BGC GLC | 0.8507 |
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 | |||
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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 | |||
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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 |