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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3CPO | - | FP2 | C6 H5 F O | c1ccc(c(c1.... |
2 | 1W6Y | Kd = 4.4 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
3 | 5AI1 | Kd = 0.34 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
4 | 5G2G | Kd = 0.9 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
5 | 6C17 | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
6 | 1GS3 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
7 | 5KP1 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
8 | 1OHO | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
9 | 1CQS | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
10 | 3OWY | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
11 | 5KP4 | - | 6VW | C18 H26 O2 | C[C@]12CC[.... |
12 | 3IPT | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
13 | 1OH0 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
14 | 1OGX | Kd = 0.81 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
15 | 1E3V | Kd = 45.74 uM | DXC | C24 H40 O4 | C[C@H](CCC.... |
16 | 6C1J | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
17 | 6UFS | - | Q6J | C18 H28 O2 | C[C@]12CC[.... |
18 | 2PZV | Kd = 135 uM | IPH | C6 H6 O | c1ccc(cc1).... |
19 | 3FZW | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
20 | 6C1X | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
21 | 3T8N | - | EDT | C10 H16 N2 O8 | C(CN(CC(=O.... |
22 | 1E3R | - | AND | C19 H28 O2 | C[C@]12CC[.... |
23 | 2INX | - | FFP | C6 H4 F2 O | c1cc(c(c(c.... |
24 | 3OWU | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
25 | 5KP3 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
26 | 3OWS | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3CPO | - | FP2 | C6 H5 F O | c1ccc(c(c1.... |
2 | 1W6Y | Kd = 4.4 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
3 | 5AI1 | Kd = 0.34 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
4 | 5G2G | Kd = 0.9 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
5 | 6C17 | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
6 | 1GS3 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
7 | 5KP1 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
8 | 1OHO | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
9 | 1CQS | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
10 | 3OWY | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
11 | 5KP4 | - | 6VW | C18 H26 O2 | C[C@]12CC[.... |
12 | 3IPT | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
13 | 1OH0 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
14 | 1OGX | Kd = 0.81 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
15 | 1E3V | Kd = 45.74 uM | DXC | C24 H40 O4 | C[C@H](CCC.... |
16 | 6C1J | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
17 | 6UFS | - | Q6J | C18 H28 O2 | C[C@]12CC[.... |
18 | 2PZV | Kd = 135 uM | IPH | C6 H6 O | c1ccc(cc1).... |
19 | 3FZW | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
20 | 6C1X | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
21 | 3T8N | - | EDT | C10 H16 N2 O8 | C(CN(CC(=O.... |
22 | 1E3R | - | AND | C19 H28 O2 | C[C@]12CC[.... |
23 | 2INX | - | FFP | C6 H4 F2 O | c1cc(c(c(c.... |
24 | 3OWU | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
25 | 5KP3 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
26 | 3OWS | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
27 | 1OHS | - | 5SD | C19 H28 O2 | C[C@]12CCC.... |
28 | 5UGI | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
29 | 1OHP | - | ESR | C18 H26 O2 | C[C@]12CC[.... |
30 | 1QJG | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
31 | 1OGZ | Kd = 1.4 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DNX | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5ai1.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5ai1.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |