Ligand |
||
Ligand Name: C11Y4 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB598 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CCCCCCCCCCC[P@@](=O)(OCCCC)Oc1ccc([N+]([O-])=O)cc1 | ||
Standard InChI: InChI=1S/C21H36NO5P/c1-3-5-7-8-9-10-11-12-13-19-28(25,26-18-6-4-2)27-21-16-14-20(15-17-21)22(23)24/h14-17H,3-13,18-19H2,1-2H3/t28-/m1/s1 | ||
Molecular Formula: C21H36NO5P | Mol. Weight: 413.23312 | logP: 7.5142 |
HBD: 0 | HBA: 5 | |
#Rotatable Bonds: 17 | TPSA: 78.67 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Cutinase | G0RH85 (G0RH85_HYPJQ) | Hypocrea jecorina (strain QM6a) (Trichoderma reesei) | 4PSE | C11 |
- |
- |
SHOW |