Ligand Data

Ligand

id 3828
Name W146
SMILES CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N
InChIKey FWJRVGZWNDOOFH-OAHLLOKOSA-N
Type small-molecule
External Links
Structure pdb 3V2W 3V2Y

Structure

Properties

Hydrogen bond acceptors 3
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight 342.2


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
S1P1 S1PR1 Human Lysophospholipid (S1P) A (Rhodopsin) 18.0 1575.0 4630.0