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BioLiP

PDB CCD ID: R9S
Number of entries in BioLiP: 3
Chemical formula: C9 H11 N O
InChI: InChI=1S/C9H11NO/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
InChIKey: AZWFNQKHHGQCET-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccccc1CC(N)=O
OpenEye OEToolkits 2.0.6Cc1ccccc1CC(=O)N
ACDLabs 12.01c1cc(CC(=O)N)c(C)cc1
Name:2-(2-methylphenyl)acetamide
ZINC: ZINC000020448008
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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