SEQ2FUN

BioLiP

PDB CCD ID: A1AX2
Number of entries in BioLiP: 1
Chemical formula: C10 H9 N O
InChI: InChI=1S/C10H9NO/c1-3-9-5-4-6-10(7-9)11-8(2)12/h1,4-7H,2H3,(H,11,12)
InChIKey: KPCKMWGCLHYFCN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)Nc1cccc(c1)C#C
ACDLabs 12.01O=C(C)Nc1cc(ccc1)C#C
Name:N-(3-ethynylphenyl)acetamide
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).