SEQ2FUN

BioLiP

PDB CCD ID: TYZ
Number of entries in BioLiP: 13
Chemical formula: C9 H9 N O3
InChI: InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKey: QCXJEYYXVJIFCE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)Nc1ccc(cc1)C(=O)O
ACDLabs 10.04O=C(Nc1ccc(cc1)C(=O)O)C
CACTVS 3.341CC(=O)Nc1ccc(cc1)C(O)=O
Name:PARA ACETAMIDO BENZOIC ACID
ChEMBL: CHEMBL112687
DrugBank: DB04500
ZINC: ZINC000000000226
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).