PDB ligand accession: B13
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: QJVWXASLTDBQFK-LAYHTZHSSA-N
SMILES: CC1=C2C(C(C3=CC4C(C(C5=C(C6C(C(C7N6[Co](N45)(N32)N8C1C(C(C78C)(C)CC(=O)N)CCC(=O)N)CC(=O)N)(C)CCC(=O)NCC(C)OP(=O)(O)OC9C(OC(C9O)n1cnc2c1ccc(c2)O)CO)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Tetrapyrroles and derivatives
- Subclass: Corrinoids
- Class: Tetrapyrroles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2I2X | Download | Experimental | e2i2xA1 e2i2xC1 e2i2xB1 e2i2xD2 e2i2xA1 e2i2xC1 e2i2xF2 e2i2xE1 e2i2xG1 e2i2xH2 e2i2xE1 e2i2xG1 e2i2xJ2 e2i2xI1 e2i2xK1 e2i2xL2 e2i2xI1 e2i2xK1 e2i2xN2 e2i2xM1 e2i2xO1 e2i2xP2 e2i2xM1 e2i2xO1 | TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like Flavodoxin-like TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |