PDB ligand accession: TA1
DrugBank: DB01229
PubChem:
ChEMBL:
InChI Key: RCINICONZNJXQF-MZXODVADSA-N
SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Lipids and lipid-like molecules
- Class: Prenol lipids
- Subclass: Diterpenoids
- Class: Prenol lipids
- Superclass: Lipids and lipid-like molecules
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 2HXH | Download | Experimental | e2hxhB1 e2hxhB2 | Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 3J6G | Download | Experimental | e3j6gB1 e3j6gB2 e3j6gD1 e3j6gD2 e3j6gF1 e3j6gF2 e3j6gH1 e3j6gH2 e3j6gJ1 e3j6gJ2 e3j6gL1 e3j6gL2 e3j6gN1 e3j6gN2 e3j6gP1 e3j6gP2 e3j6gR1 e3j6gR2 | Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 6EW0 | Download | Experimental | e6ew0F1 e6ew0F2 e6ew0G1 e6ew0G2 e6ew0D1 e6ew0D2 e6ew0I1 e6ew0I2 e6ew0B1 e6ew0B2 e6ew0H1 e6ew0H2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 3J6P | Download | Experimental | e3j6pB1 e3j6pB2 | Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 5SYF | Download | Experimental | e5syfB1 e5syfB2 | Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 5OGC | Download | Experimental | e5ogcB1 e5ogcB2 | Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 6RZB | Download | Experimental | e6rzbB1 e6rzbB2 | Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 6RZA | Download | Experimental | e6rzaB1 e6rzaB2 e6rzaD1 e6rzaD2 | Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 5MM4 | Download | Experimental | e5mm4B1 e5mm4B2 | Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 6ZPI | Download | Experimental | e6zpiB1 e6zpiB2 | Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 2WBE | Download | Experimental | e2wbeB1 e2wbeB2 | Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 5MM7 | Download | Experimental | e5mm7B1 e5mm7B2 | Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 7RS5 | Download | Experimental | e7rs5B1 e7rs5B2 e7rs5D1 e7rs5D2 e7rs5F1 e7rs5F2 e7rs5H1 e7rs5H2 e7rs5J1 e7rs5J2 e7rs5M1 e7rs5M2 e7rs5O1 e7rs5O2 e7rs5Q1 e7rs5Q2 e7rs5S1 e7rs5S2 | Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 6MLQ | Download | Experimental | e6mlqB1 e6mlqB2 | Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 5OCU | Download | Experimental | e5ocuB1 e5ocuB2 | Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 5SYE | Download | Experimental | e5syeB1 e5syeB2 | Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 6MLR | Download | Experimental | e6mlrB1 e6mlrB2 | Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 5OAM | Download | Experimental | e5oamB1 e5oamB2 | Rossmann-like Bacillus chorismate mutase-like | LigPlot |
| 3EDL | Download | Experimental | e3edlB1 e3edlB2 | Bacillus chorismate mutase-like Rossmann-like | LigPlot |
| 2HXF | Download | Experimental | e2hxfB1 e2hxfB2 | Bacillus chorismate mutase-like Rossmann-like | LigPlot |