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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 2 families. | |||||
1 | 6BFO | - | ACE ASP GLU VAL ASP 0QE | n/a | n/a |
2 | 6BGQ | - | ACE ASP GLU VAL ASP 0QE | n/a | n/a |
3 | 6BG0 | - | ACE ASP GLU VAL ASP 0QE | n/a | n/a |
4 | 6BDV | - | ACE ASP GLU VAL ASP 0QE | n/a | n/a |
5 | 6BGS | - | ACE ASP GLU VAL ASP 0QE | n/a | n/a |
6 | 6BH9 | - | ACE ASP GLU VAL ASP 0QE | n/a | n/a |
7 | 6BFK | - | ACE ASP GLU VAL ASP 0QE | n/a | n/a |
8 | 6BG4 | - | ACE ASP GLU VAL ASP 0QE | n/a | n/a |
9 | 6BFL | - | ACE ASP GLU VAL ASP 0QE | n/a | n/a |
10 | 6BGK | - | ACE ASP GLU VAL ASP 0QE | n/a | n/a |
11 | 6BFJ | - | ACE ASP GLU VAL ASP 0QE | n/a | n/a |
12 | 1NME | - | 159 | C9 H11 N O5 S2 | c1cc(c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3KJQ | Ki = 1.32 uM | B94 | C26 H30 Cl N5 O9 | CC(=O)[C@H.... |
2 | 2QL9 | Ki = 0.94 nM | GLN GLY HIS GLY GLU | n/a | n/a |
3 | 6BFJ | - | ACE ASP GLU VAL ASP 0QE | n/a | n/a |
4 | 6PDQ | - | ACE ASP GLU VAL ASP | n/a | n/a |
5 | 1NME | - | 159 | C9 H11 N O5 S2 | c1cc(c(cc1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 159 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IQU | 0.9257 |
2 | IQS | 0.9072 |
3 | Q5M | 0.8984 |
4 | ZEA | 0.8968 |
5 | AC2 | 0.8921 |
6 | 2KU | 0.8921 |
7 | CKI | 0.8914 |
8 | NEU | 0.8912 |
9 | C0Y | 0.8896 |
10 | 3AD | 0.8886 |
11 | 3IB | 0.8808 |
12 | MH5 | 0.8800 |
13 | IAG | 0.8793 |
14 | ASE | 0.8789 |
15 | NIP | 0.8787 |
16 | JXQ | 0.8782 |
17 | ZYW | 0.8776 |
18 | 7CT | 0.8769 |
19 | MDR | 0.8767 |
20 | A4G | 0.8765 |
21 | 3EB | 0.8736 |
22 | HVE | 0.8727 |
23 | ZIP | 0.8715 |
24 | R9G | 0.8697 |
25 | EYY | 0.8674 |
26 | 7BX | 0.8673 |
27 | M77 | 0.8673 |
28 | TRP GLY | 0.8666 |
29 | H35 | 0.8658 |
30 | PUR | 0.8655 |
31 | 78P | 0.8647 |
32 | ADN | 0.8647 |
33 | LVB | 0.8638 |
34 | 5F1 | 0.8634 |
35 | TR7 | 0.8628 |
36 | CX4 | 0.8622 |
37 | M01 | 0.8620 |
38 | ONZ | 0.8608 |
39 | CX5 | 0.8596 |
40 | ITW | 0.8595 |
41 | MTM | 0.8583 |
42 | DNB | 0.8567 |
43 | SG2 | 0.8563 |
44 | ALE | 0.8555 |
45 | 7D7 | 0.8550 |
This union binding pocket(no: 1) in the query (biounit: 1nme.bio3) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1nme.bio3) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1nme.bio3) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1nme.bio3) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1nme.bio5) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1nme.bio5) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 1nme.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 1nme.bio2) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 1nme.bio2) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 10) in the query (biounit: 1nme.bio2) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 11) in the query (biounit: 1nme.bio2) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 12) in the query (biounit: 1nme.bio4) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 13) in the query (biounit: 1nme.bio4) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |