SEQ2FUN

BioLiP

PDB CCD ID: XM4
Number of entries in BioLiP: 1
Chemical formula: C9 H10 Cl N O
InChI: InChI=1S/C9H10ClNO/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChIKey: WMHHXYOPEQARIN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(ccc1NC(=O)C)Cl
CACTVS 3.385CC(=O)Nc1ccc(Cl)cc1C
ACDLabs 12.01N(c1ccc(cc1C)Cl)C(C)=O
Name:N-(4-chloro-2-methylphenyl)acetamide
ZINC: ZINC000000128986
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).