SEQ2FUN

BioLiP

PDB CCD ID: V73
Number of entries in BioLiP: 1
Chemical formula: C11 H15 N O2
InChI: InChI=1S/C11H15NO2/c1-12(7-8-13)11(14)9-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3
InChIKey: PWWHTAFTALYTRT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(Cc1ccccc1)N(C)CCO
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CN(CCO)C(=O)Cc1ccccc1
Name:N-(2-hydroxyethyl)-N-methyl-2-phenylacetamide
ZINC: ZINC000003064212
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).