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BioLiP

PDB CCD ID: J5V
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N O
InChI: InChI=1S/C11H11NO/c1-10(13)12-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,9H2,1H3,(H,12,13)
InChIKey: MEDMJWLHQZDCBX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(c1ccccc1)#CCNC(=O)C
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC(=O)NCC#Cc1ccccc1
Name:N-(3-phenylprop-2-yn-1-yl)acetamide
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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