SEQ2FUN

BioLiP

PDB CCD ID: AV7
Number of entries in BioLiP: 3
Chemical formula: C15 H13 N O3
InChI: InChI=1S/C15H13NO3/c1-10(17)16-14-7-3-5-12(9-14)11-4-2-6-13(8-11)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKey: PKQLIAIJVCDASV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1cccc(c1)c2cccc(c2)C(O)=O
OpenEye OEToolkits 2.0.6CC(=O)Nc1cccc(c1)c2cccc(c2)C(=O)O
Name:3-(3-acetamidophenyl)benzoic acid
ChEMBL: CHEMBL4170628
ZINC: ZINC000016947112
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).