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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 5M92 | - | Y8I | C6 H4 Br2 O | c1cc(c(cc1.... |
2 | 5M8X | - | TC7 | C6 H3 Cl3 O | c1c(c(cc(c.... |
3 | 4UR0 | - | TCV | C2 H Cl3 | C(=C(Cl)Cl.... |
4 | 5MAA | - | B3R | C6 H5 Br O | c1cc(cc(c1.... |
5 | 5MA1 | - | T6C | C6 H3 Cl3 O | c1c(cc(c(c.... |
6 | 5M8Y | - | 3CH | C6 H5 Cl O | c1cc(cc(c1.... |
7 | 5M2G | - | TBP | C6 H3 Br3 O | c1c(cc(c(c.... |
8 | 5MA0 | - | DUB | C6 H4 Cl2 O | c1cc(c(c(c.... |
9 | 5M8W | - | 4CH | C6 H5 Cl O | c1cc(ccc1O.... |
10 | 5M8Z | - | ZTN | C6 H4 F2 O | c1cc(c(c(c.... |
11 | 4UR1 | - | CB0 | C2 H2 Br2 | C(=CBr)Br |
12 | 5M90 | - | JIF | C6 H3 F3 O | c1c(cc(c(c.... |
13 | 5MA2 | - | IOL | C6 H5 I O | c1cc(ccc1O.... |
14 | 5M8U | - | BML | C6 H5 Br O | c1cc(ccc1O.... |
15 | 5M91 | - | 94N | C6 H4 Br2 O | c1cc(c(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 5M92 | - | Y8I | C6 H4 Br2 O | c1cc(c(cc1.... |
2 | 5M8X | - | TC7 | C6 H3 Cl3 O | c1c(c(cc(c.... |
3 | 4UR0 | - | TCV | C2 H Cl3 | C(=C(Cl)Cl.... |
4 | 5MAA | - | B3R | C6 H5 Br O | c1cc(cc(c1.... |
5 | 5MA1 | - | T6C | C6 H3 Cl3 O | c1c(cc(c(c.... |
6 | 5M8Y | - | 3CH | C6 H5 Cl O | c1cc(cc(c1.... |
7 | 5M2G | - | TBP | C6 H3 Br3 O | c1c(cc(c(c.... |
8 | 5MA0 | - | DUB | C6 H4 Cl2 O | c1cc(c(c(c.... |
9 | 5M8W | - | 4CH | C6 H5 Cl O | c1cc(ccc1O.... |
10 | 5M8Z | - | ZTN | C6 H4 F2 O | c1cc(c(c(c.... |
11 | 4UR1 | - | CB0 | C2 H2 Br2 | C(=CBr)Br |
12 | 5M90 | - | JIF | C6 H3 F3 O | c1c(cc(c(c.... |
13 | 5MA2 | - | IOL | C6 H5 I O | c1cc(ccc1O.... |
14 | 5M8U | - | BML | C6 H5 Br O | c1cc(ccc1O.... |
15 | 5M91 | - | 94N | C6 H4 Br2 O | c1cc(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CB0 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BRJ | 0.9871 |
2 | GLY | 0.9427 |
3 | EDO | 0.9419 |
4 | DCE | 0.9393 |
5 | DTZ | 0.9346 |
6 | 3CL | 0.9276 |
7 | AF3 | 0.9235 |
8 | PXO | 0.9171 |
9 | NOE | 0.9163 |
10 | MCH | 0.9158 |
11 | MSM | 0.9142 |
12 | 1BP | 0.9029 |
13 | HP4 | 0.8988 |
14 | SEY | 0.8979 |
15 | 9A4 | 0.8969 |
16 | TCV | 0.8957 |
17 | OSM | 0.8954 |
18 | BBX | 0.8948 |
19 | CP2 | 0.8948 |
20 | 0CL | 0.8941 |
21 | QPT | 0.8938 |
22 | ACM | 0.8925 |
23 | VN4 | 0.8909 |
24 | SO2 | 0.8906 |
25 | BEF | 0.8894 |
26 | KCS | 0.8876 |
27 | F3V | 0.8857 |
28 | BRP | 0.8856 |
29 | HAE | 0.8824 |
30 | TSZ | 0.8800 |
31 | 2PO | 0.8745 |
32 | 78T | 0.8664 |
33 | PUT | 0.8596 |
This union binding pocket(no: 1) in the query (biounit: 5m90.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5m90.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5m90.bio1) has 7 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |