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BioLiP

PDB CCD ID: UQM
Number of entries in BioLiP: 4
Chemical formula: C10 H12 N2 O2
InChI: InChI=1S/C10H12N2O2/c1-7(13)12-9-4-2-8(3-5-9)6-10(11)14/h2-5H,6H2,1H3,(H2,11,14)(H,12,13)
InChIKey: LYRQZGCDFPVILB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NC(Cc1ccc(NC(C)=O)cc1)=O
CACTVS 3.385CC(=O)Nc1ccc(CC(N)=O)cc1
OpenEye OEToolkits 2.0.7CC(=O)Nc1ccc(cc1)CC(=O)N
Name:N-[4-(2-amino-2-oxoethyl)phenyl]acetamide
ZINC: ZINC000013715694
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)(download the PDF file).
  • 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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