- 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 24 families. | |||||
1 | 4YZ2 | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
2 | 4YW5 | - | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
3 | 4YW2 | Kd = 1.6 mM | GAL SIA | n/a | n/a |
4 | 5F9T | - | SFJ | C11 H17 F2 N O8 | CC(=O)N[C@.... |
5 | 4YW3 | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
6 | 4YW1 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
7 | 4YZ4 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
8 | 4YZ5 | Kd = 1.48 mM | GLC GAL SIA | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 18 families. | |||||
1 | 2VK6 | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
2 | 2JKB | - | SKD | C11 H17 N O8 | CC(=O)N[C@.... |
3 | 4FPF | ic50 = 38.9 uM | JKK | C9 H12 Cl N O3 S | c1cc(cc(c1.... |
4 | 4FOQ | - | TAU | C2 H7 N O3 S | C(CS(=O)(=.... |
5 | 4FPC | - | MFY | C9 H12 Cl N O3 S | c1cc(ccc1C.... |
6 | 4FOY | - | D53 | C9 H13 N O3 S | c1ccc(cc1).... |
7 | 4FPL | - | 7HV | C9 H11 Cl2 N O3 S | c1cc(c(cc1.... |
8 | 4FOW | - | A20 | C3 H9 N O3 S | C(CN)CS(=O.... |
9 | 4FPJ | - | D8I | C10 H15 N O4 S | COc1cccc(c.... |
10 | 4FPK | ic50 = 57.4 uM | IJ1 | C10 H15 N O3 S | Cc1cccc(c1.... |
11 | 4FQ4 | - | IJ4 | C10 H14 F N O3 S | Cc1cc(ccc1.... |
12 | 4FPY | - | 0V8 | C9 H12 Br N O3 S | c1cc(cc(c1.... |
13 | 4X6K | ic50 = 0.00487 mM | 3XR | C8 H15 N2 O5 | CC(=O)N[C@.... |
14 | 4X47 | ic50 = 1.41 mM | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
15 | 4X4A | Ki = 2.37 mM | SKD | C11 H17 N O8 | CC(=O)N[C@.... |
16 | 4YW5 | - | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
17 | 4YW2 | Kd = 1.6 mM | GAL SIA | n/a | n/a |
18 | 5F9T | - | SFJ | C11 H17 F2 N O8 | CC(=O)N[C@.... |
19 | 4YW3 | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
20 | 4YW1 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
21 | 4YZ4 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
22 | 4YZ5 | Kd = 1.48 mM | GLC GAL SIA | n/a | n/a |
23 | 4SLI | - | CNP | C14 H23 N O8 | CC(=O)N[C@.... |
24 | 3SLI | - | SKD | C11 H17 N O8 | CC(=O)N[C@.... |
25 | 2SLI | - | SKD | C11 H17 N O8 | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DAN | 1 | 1 |
2 | 9AM | 0.767857 | 0.913043 |
3 | GC9 | 0.754386 | 0.933333 |
4 | 4AM | 0.661017 | 0.913043 |
5 | ZMR | 0.615385 | 0.792453 |
6 | KFN | 0.542373 | 0.704545 |
7 | 49A | 0.507692 | 0.87234 |
8 | 0HX | 0.454545 | 0.75 |
9 | RP6 | 0.452055 | 0.934783 |
10 | LNV | 0.434211 | 0.701754 |
11 | FSI | 0.408451 | 0.82 |
12 | SLB | 0.4 | 0.911111 |
13 | SIA | 0.4 | 0.911111 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DF4 | 0.9792 |
2 | EQP | 0.9783 |
3 | E3M | 0.9765 |
4 | G28 | 0.9670 |
5 | AXP | 0.9657 |
6 | NGE | 0.9527 |
7 | SFJ | 0.9483 |
8 | NGC | 0.9350 |
9 | 2H8 | 0.9236 |
10 | MNA | 0.9230 |
11 | 9GW | 0.9201 |
12 | G39 | 0.9193 |
13 | ST4 | 0.9184 |
14 | 42D | 0.9176 |
15 | ST5 | 0.9150 |
16 | 9GT | 0.9105 |
17 | SIA CMO | 0.9051 |
18 | 18D | 0.9030 |
19 | MN0 | 0.9010 |
20 | GOH | 0.9001 |
21 | 9GQ | 0.8971 |
22 | 9GN | 0.8954 |
23 | ST6 | 0.8953 |
24 | SKD | 0.8936 |
25 | R2D | 0.8931 |
26 | 9GZ | 0.8929 |
27 | 5M8 | 0.8848 |
28 | NIM | 0.8848 |
29 | NG1 | 0.8783 |
30 | KDM | 0.8755 |
31 | KB8 | 0.8750 |
32 | GYG | 0.8720 |
33 | FID | 0.8714 |
34 | FIR | 0.8704 |
35 | A0O | 0.8700 |
36 | CNP | 0.8698 |
37 | KDN | 0.8670 |
38 | 3YW | 0.8654 |
39 | JT2 | 0.8647 |
40 | 3E2 | 0.8643 |
41 | JUO | 0.8627 |
42 | ST1 | 0.8622 |
43 | FIS | 0.8610 |
44 | G20 | 0.8608 |
45 | U2P | 0.8604 |
46 | 0L9 | 0.8587 |
47 | 53Q | 0.8567 |
48 | 3N4 | 0.8564 |
49 | GNT | 0.8564 |
50 | ET | 0.8550 |
51 | KLB | 0.8543 |
52 | SNG | 0.8532 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLC GAL SIA | 1.0000 |
2 | BGC GAL SIA | 0.9887 |
3 | NAG GAL SIA | 0.9303 |
4 | NAG 2FG SIA | 0.9284 |
5 | GLC GAL NGC | 0.9282 |
6 | GAL BGC SIA | 0.9156 |
7 | NGA GAL SIA | 0.8915 |
8 | NAG GAL NGC | 0.8628 |
9 | A2G GAL SIA | 0.8614 |
This union binding pocket(no: 1) in the query (biounit: 4yz5.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4yz5.bio2) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2V73 | SIA | 23.5602 |
This union binding pocket(no: 3) in the query (biounit: 4yz5.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |