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
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