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BioLiP

PDB CCD ID: UQV
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N O3
InChI: InChI=1S/C10H11NO3/c1-7(12)11-9-5-3-2-4-8(9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
InChIKey: BOEMFEOUVXWWNZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)Nc1ccccc1CC(=O)O
ACDLabs 12.01c1ccc(CC(=O)O)c(NC(C)=O)c1
CACTVS 3.385CC(=O)Nc1ccccc1CC(O)=O
Name:[2-(acetylamino)phenyl]acetic acid
ZINC: ZINC000034331250
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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