SEQ2FUN

BioLiP

PDB CCD ID: OXF
Number of entries in BioLiP: 1
Chemical formula: C21 H28 N2 O3
InChI: InChI=1S/C21H28N2O3/c24-14-16-25-15-13-22-9-11-23(12-10-22)18-19-5-4-8-21(17-19)26-20-6-2-1-3-7-20/h1-8,17,24H,9-16,18H2
InChIKey: SHDFUNGIHDOLQM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCOCCN1CCN(CC1)Cc2cccc(Oc3ccccc3)c2
OpenEye OEToolkits 2.0.7c1ccc(cc1)Oc2cccc(c2)CN3CCN(CC3)CCOCCO
Name:2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol;
ZK-756326
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).