PDB ligand accession: NHW
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: JKWHUJMJVNMKEF-UOCZADIYSA-J
SMILES: CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Lipids and lipid-like molecules
- Class: S-alkyl-CoAs
- Subclass: None
- Class: S-alkyl-CoAs
- Superclass: Lipids and lipid-like molecules
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 4UFW | Download | Experimental | e4ufwA1 e4ufwA2 e4ufwB1 e4ufwB2 e4ufwC1 e4ufwC2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 4C68 | Download | Experimental | e4c68A1 e4c68A2 e4c68B1 e4c68B2 e4c68C1 e4c68C2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 4B13 | Download | Experimental | e4b13A1 e4b13A2 e4b13B1 e4b13B2 e4b13C1 e4b13C2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 4B14 | Download | Experimental | e4b14A1 e4b14A2 e4b14B1 e4b14B2 e4b14C3 e4b14C2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 5O4V | Download | Experimental | e5o4vA1 e5o4vA2 e5o4vB1 e5o4vB2 e5o4vC1 e5o4vC2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 2YNE | Download | Experimental | e2yneA2 e2yneA3 e2yneB2 e2yneB3 e2yneC2 e2yneC3 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 4B11 | Download | Experimental | e4b11A1 e4b11A2 e4b11B1 e4b11B2 e4b11C1 e4b11C2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 5G22 | Download | Experimental | e5g22A1 e5g22A2 e5g22B1 e5g22B2 e5g22C1 e5g22C2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 4CAE | Download | Experimental | e4caeA1 e4caeA2 e4caeB1 e4caeB2 e4caeC1 e4caeC2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 4B10 | Download | Experimental | e4b10A1 e4b10A2 e4b10B1 e4b10B2 e4b10C1 e4b10C2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 4BBH | Download | Experimental | e4bbhA1 e4bbhA2 e4bbhB3 e4bbhB2 e4bbhC1 e4bbhC2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 4B12 | Download | Experimental | e4b12A1 e4b12A2 e4b12B1 e4b12B2 e4b12C3 e4b12C2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 5G1Z | Download | Experimental | e5g1zA1 e5g1zA2 e5g1zB1 e5g1zB2 e5g1zC1 e5g1zC2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 5O48 | Download | Experimental | e5o48A1 e5o48A2 e5o48B1 e5o48B2 e5o48C1 e5o48C2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 4UFX | Download | Experimental | e4ufxA1 e4ufxA2 e4ufxB1 e4ufxB2 e4ufxC1 e4ufxC2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 4A95 | Download | Experimental | e4a95A1 e4a95A2 e4a95B3 e4a95B2 e4a95C3 e4a95C2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 4CAF | Download | Experimental | e4cafA1 e4cafA2 e4cafB1 e4cafB2 e4cafC1 e4cafC2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 2YND | Download | Experimental | e2yndA1 e2yndA2 e2yndB1 e2yndB2 e2yndC2 e2yndC3 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 4UFV | Download | Experimental | e4ufvA1 e4ufvA2 e4ufvB1 e4ufvB2 e4ufvC1 e4ufvC2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
| 6TW6 | Download | Experimental | e6tw6AAA1 e6tw6AAA2 e6tw6BBB1 e6tw6BBB2 e6tw6CCC1 e6tw6CCC2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |