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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 214 families. | |||||
1 | 4AVI | Kd = 23.6 nM | XNS | C16 H30 O8 | COC(=O)CCC.... |
2 | 4ATT | Kd = 104.6 nM | HNV | C16 H20 O7 | COc1ccc(cc.... |
3 | 3ZL1 | - | BWG | C11 H16 N2 O6 S | CC(=O)c1cn.... |
4 | 4BUQ | Kd = 7.3 nM | KGM | C13 H26 O6 | CCCCCCCO[C.... |
5 | 5ABZ | - | Z47 | C19 H24 O5 | c1ccc2c(c1.... |
6 | 4AV4 | Kd = 94.3 nM | FVQ | C14 H17 N O6 | c1cc(cnc1).... |
7 | 5AAP | - | VNY | C21 H24 O5 | C/C(=C[C@@.... |
8 | 1UWF | Kd = 0.15 uM | DEG | C10 H20 O6 | CCCCO[C@@H.... |
9 | 4AVK | Kd = 94.3 nM | FVQ | C14 H17 N O6 | c1cc(cnc1).... |
10 | 4AV0 | Kd = 104.6 nM | HNV | C16 H20 O7 | COc1ccc(cc.... |
11 | 4CSS | Kd = 3.5 nM | CWX | C19 H23 N O8 S | CNS(=O)(=O.... |
12 | 4LOV | Kd = 17.1 nM | KGM | C13 H26 O6 | CCCCCCCO[C.... |
13 | 4AUY | Kd = 18.3 nM | HNW | C15 H18 O7 | c1cc(ccc1C.... |
14 | 5FS5 | Kd = 206.4 nM | KGM | C13 H26 O6 | CCCCCCCO[C.... |
15 | 5FWR | Kd = 17.7 nM | 3X8 | C18 H20 O6 | c1ccc(cc1).... |
16 | 6GTW | - | MAN MAN MAN | n/a | n/a |
17 | 6G2R | Kd = 0.35 nM | EJK | C19 H14 Cl F4 N O6 | c1cc(c(cc1.... |
18 | 6GTX | Kd = 0.000000064 M | MMA MAN | n/a | n/a |
19 | 4X5P | Kd = 6.2 nM | 3XJ | C20 H20 Cl N O9 | c1cc(ccc1C.... |
20 | 4AVH | Kd = 59.5 nM | FK9 | C12 H24 O6 S | CCCSCCCO[C.... |
21 | 4XO8 | Kd = 1.1 nM | KGM | C13 H26 O6 | CCCCCCCO[C.... |
22 | 4X5R | Kd = 14 nM | 3XO | C21 H26 Cl N3 O8 | CN1CCN(CC1.... |
23 | 7AYN | - | SBQ | C20 H21 Cl O8 | COC(=O)c1c.... |
24 | 6GTY | Kd = 0.000000064 M | MMA MAN | n/a | n/a |
25 | 5AAL | - | 8L8 | C21 H24 O5 | c1ccc(cc1).... |
26 | 4AV5 | Kd = 61 nM | FYZ | C21 H22 O6 | c1ccc(cc1).... |
27 | 2VCO | Kd = 20 nM | NAG NAG MAN MAN MAN | n/a | n/a |
28 | 4X5Q | - | 3XN | C20 H20 N2 O8 | c1cc(ccc1n.... |
29 | 6G2S | Kd = 4.01 nM | EJN | C18 H15 F5 O6 | c1cc(ccc1c.... |
30 | 5F2F | - | 5U7 | C23 H28 N2 O8 | Cc1cc(ccc1.... |
31 | 4CST | Kd = 1.3 nM | CWK | C19 H18 Cl N O6 | c1cc(ccc1C.... |
32 | 3ZL2 | - | BWG | C11 H16 N2 O6 S | CC(=O)c1cn.... |
33 | 1TR7 | Kd = 0.15 uM | DEG | C10 H20 O6 | CCCCO[C@@H.... |
34 | 4AVJ | Kd = 36.5 nM | J73 | C17 H23 N3 O7 | c1cc(ccc1C.... |
35 | 4AUJ | Kd = 18.3 nM | HNW | C15 H18 O7 | c1cc(ccc1C.... |
36 | 4X50 | Kd = 17.7 nM | 3X8 | C18 H20 O6 | c1ccc(cc1).... |
37 | 4XOC | Kd = 3 nM | KGM | C13 H26 O6 | CCCCCCCO[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 4AVI | Kd = 23.6 nM | XNS | C16 H30 O8 | COC(=O)CCC.... |
2 | 4ATT | Kd = 104.6 nM | HNV | C16 H20 O7 | COc1ccc(cc.... |
3 | 3ZL1 | - | BWG | C11 H16 N2 O6 S | CC(=O)c1cn.... |
4 | 4BUQ | Kd = 7.3 nM | KGM | C13 H26 O6 | CCCCCCCO[C.... |
5 | 5ABZ | - | Z47 | C19 H24 O5 | c1ccc2c(c1.... |
6 | 4AV4 | Kd = 94.3 nM | FVQ | C14 H17 N O6 | c1cc(cnc1).... |
7 | 5AAP | - | VNY | C21 H24 O5 | C/C(=C[C@@.... |
8 | 1UWF | Kd = 0.15 uM | DEG | C10 H20 O6 | CCCCO[C@@H.... |
9 | 4AVK | Kd = 94.3 nM | FVQ | C14 H17 N O6 | c1cc(cnc1).... |
10 | 4AV0 | Kd = 104.6 nM | HNV | C16 H20 O7 | COc1ccc(cc.... |
11 | 4CSS | Kd = 3.5 nM | CWX | C19 H23 N O8 S | CNS(=O)(=O.... |
12 | 4LOV | Kd = 17.1 nM | KGM | C13 H26 O6 | CCCCCCCO[C.... |
13 | 4AUY | Kd = 18.3 nM | HNW | C15 H18 O7 | c1cc(ccc1C.... |
14 | 5FS5 | Kd = 206.4 nM | KGM | C13 H26 O6 | CCCCCCCO[C.... |
15 | 5FWR | Kd = 17.7 nM | 3X8 | C18 H20 O6 | c1ccc(cc1).... |
16 | 6GTW | - | MAN MAN MAN | n/a | n/a |
17 | 6G2R | Kd = 0.35 nM | EJK | C19 H14 Cl F4 N O6 | c1cc(c(cc1.... |
18 | 6GTX | Kd = 0.000000064 M | MMA MAN | n/a | n/a |
19 | 4X5P | Kd = 6.2 nM | 3XJ | C20 H20 Cl N O9 | c1cc(ccc1C.... |
20 | 4AVH | Kd = 59.5 nM | FK9 | C12 H24 O6 S | CCCSCCCO[C.... |
21 | 4XO8 | Kd = 1.1 nM | KGM | C13 H26 O6 | CCCCCCCO[C.... |
22 | 4X5R | Kd = 14 nM | 3XO | C21 H26 Cl N3 O8 | CN1CCN(CC1.... |
23 | 7AYN | - | SBQ | C20 H21 Cl O8 | COC(=O)c1c.... |
24 | 6GTY | Kd = 0.000000064 M | MMA MAN | n/a | n/a |
25 | 5AAL | - | 8L8 | C21 H24 O5 | c1ccc(cc1).... |
26 | 4AV5 | Kd = 61 nM | FYZ | C21 H22 O6 | c1ccc(cc1).... |
27 | 2VCO | Kd = 20 nM | NAG NAG MAN MAN MAN | n/a | n/a |
28 | 4X5Q | - | 3XN | C20 H20 N2 O8 | c1cc(ccc1n.... |
29 | 6G2S | Kd = 4.01 nM | EJN | C18 H15 F5 O6 | c1cc(ccc1c.... |
30 | 5F2F | - | 5U7 | C23 H28 N2 O8 | Cc1cc(ccc1.... |
31 | 4CST | Kd = 1.3 nM | CWK | C19 H18 Cl N O6 | c1cc(ccc1C.... |
32 | 3ZL2 | - | BWG | C11 H16 N2 O6 S | CC(=O)c1cn.... |
33 | 1TR7 | Kd = 0.15 uM | DEG | C10 H20 O6 | CCCCO[C@@H.... |
34 | 4AVJ | Kd = 36.5 nM | J73 | C17 H23 N3 O7 | c1cc(ccc1C.... |
35 | 4AUJ | Kd = 18.3 nM | HNW | C15 H18 O7 | c1cc(ccc1C.... |
36 | 4X50 | Kd = 17.7 nM | 3X8 | C18 H20 O6 | c1ccc(cc1).... |
37 | 4XOC | Kd = 3 nM | KGM | C13 H26 O6 | CCCCCCCO[C.... |
38 | 5LNE | Kd = 17.43 uM | A2G GAL | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DEG | 1 | 1 |
2 | JZR | 0.795455 | 0.923077 |
3 | BHG | 0.795455 | 0.923077 |
4 | HEX GLC | 0.795455 | 0.923077 |
5 | KGM | 0.777778 | 0.9 |
6 | B7G | 0.777778 | 0.9 |
7 | BNG | 0.76087 | 0.9 |
8 | HSJ | 0.76087 | 0.9 |
9 | BOG | 0.76087 | 0.9 |
10 | FK9 | 0.666667 | 0.853659 |
11 | AFO | 0.659574 | 0.809524 |
12 | GLC NBU GAL GLA | 0.654545 | 0.923077 |
13 | EBQ | 0.591837 | 0.918919 |
14 | J5B | 0.591837 | 0.918919 |
15 | CQX | 0.589286 | 0.878049 |
16 | DR4 | 0.551724 | 0.809524 |
17 | XNS | 0.551724 | 0.809524 |
18 | LMU | 0.55 | 0.857143 |
19 | UMQ | 0.55 | 0.857143 |
20 | LMT | 0.55 | 0.857143 |
21 | DMU | 0.55 | 0.857143 |
22 | OPM MAN MAN | 0.5 | 0.878049 |
23 | RGG | 0.5 | 0.810811 |
24 | BGC 5VQ GAL GLA | 0.491525 | 0.871795 |
25 | MMA | 0.488889 | 0.837838 |
26 | GYP | 0.488889 | 0.837838 |
27 | AMG | 0.488889 | 0.837838 |
28 | MBG | 0.488889 | 0.837838 |
29 | MMA MAN | 0.481481 | 0.775 |
30 | SER MAN | 0.464286 | 0.638298 |
31 | GLC EDO GLC | 0.448276 | 0.775 |
32 | BGC GLC GLC GLC GLC | 0.446429 | 0.769231 |
33 | BGC GLC GLC GLC GLC GLC | 0.446429 | 0.769231 |
34 | 6UZ | 0.432836 | 0.744186 |
35 | HSH GLA FUC | 0.422535 | 0.837209 |
36 | M1P | 0.42 | 0.617021 |
37 | GL1 | 0.42 | 0.617021 |
38 | G1P | 0.42 | 0.617021 |
39 | XGP | 0.42 | 0.617021 |
40 | 4YA | 0.41791 | 0.837209 |
41 | Z9N GLC | 0.416667 | 0.697674 |
42 | FEE | 0.415584 | 0.679245 |
43 | L6T | 0.415385 | 0.837209 |
44 | BQZ | 0.411765 | 0.783784 |
45 | IFM MAN | 0.409836 | 0.6 |
46 | BHE | 0.405797 | 0.837209 |
47 | CM5 | 0.402778 | 0.780488 |
48 | MMA MAN MAN | 0.4 | 0.775 |
49 | HNV | 0.4 | 0.72093 |
50 | MBG GLA | 0.4 | 0.775 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | M3N | 0.9405 |
2 | JVA | 0.9055 |
3 | M6P | 0.9052 |
4 | GPM | 0.9011 |
5 | NB1 | 0.8967 |
6 | NHT | 0.8958 |
7 | BWG | 0.8958 |
8 | 2M8 | 0.8927 |
9 | GP1 | 0.8906 |
10 | JV4 | 0.8807 |
11 | GFP | 0.8792 |
12 | GC3 | 0.8781 |
13 | U5A | 0.8779 |
14 | 3LJ | 0.8744 |
15 | 8MP | 0.8716 |
16 | GLP | 0.8687 |
17 | OSB | 0.8615 |
18 | QIF | 0.8602 |
19 | D6G | 0.8580 |
20 | BM3 | 0.8573 |
This union binding pocket(no: 1) in the query (biounit: 6g2r.bio2) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6g2r.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |