Ligand
Ligand Name:   2,3-Dihexanoyl-sn-glycerol
Ligand Type:   non-polymer
Ligand ID:   COVPDB192 PubChem:   86289229
Synonym(s):  
  •   (2r)-3-hydroxypropane-1,2-diyl dihexanoate
  • 2,3-dicaproin
  • 2,3-dicaproyl-sn-glycerol
  • 2,3-hexanoyl-sn-diglyceride
  • 2-o,3-o-dicaproyl-l-glycerol
  • chebi:77387
  • zinc5820130
  • dg 0:0/6:0/6:0
  • q27146922
  • fgj
show 9 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCC
Standard InChI:   InChI=1S/C15H28O5/c1-3-5-7-9-14(17)19-12-13(11-16)20-15(18)10-8-6-4-2/h13,16H,3-12H2,1-2H3/t13-/m1/s1
Molecular Formula:   C15H28O5 Mol. Weight:   288.19366 logP:   2.5943
HBD:   1 HBA:   5
#Rotatable Bonds:   12 TPSA:   72.83

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Multidrug efflux outer membrane protein OprN Q9I0Y7 (Q9I0Y7_PSEAE) Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) 5AZP 3PK
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SHOW
CmeC Q8RTE3 (Q8RTE3_CAMJU) Campylobacter jejuni 4MT4 3PK
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SHOW