SEQ2FUN

BioLiP

PDB CCD ID: 54W
Number of entries in BioLiP: 5
Chemical formula: C10 H13 N O
InChI: InChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)
InChIKey: MODKMHXGCGKTLE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(ccccc1)CCNC(=O)C
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CC(=O)NCCc1ccccc1
Name:N-(2-phenylethyl)acetamide
ChEMBL: CHEMBL99827
ZINC: ZINC000000163574
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).