(2~{R})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid
P16581 — E-selectin
Attributes
UniProt ID
Protein Name
E-selectin
Ligand Name
(2~{R})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
PubChem ID
InChIKey
GNTJIZLFEURZBX-AUCBMRIBSA-N
SMILES
CC1C(C(C(C(O1)OC2CCCCC2OC3C(C(C(C(O3)CO)O)OC(CC4CCCCC4)C(=O)O)O)O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available