Ligand
Ligand Name:   3,5-dioxoicosanoic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB59 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCCCCCCCCCCCCCCC(=O)CC(=O)CC(O)=O
Standard InChI:   InChI=1S/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)16-19(22)17-20(23)24/h2-17H2,1H3,(H,23,24)
Molecular Formula:   C20H36O4 Mol. Weight:   340.26135 logP:   5.4707
HBD:   1 HBA:   3
#Rotatable Bonds:   18 TPSA:   71.44

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Methyl-branched alkylpyrone synthesis polyketide synthase-like Pks11 P9WPF3 (PKS11_MYCTU) Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 4JAQ 14V
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