SEQ2FUN

BioLiP

PDB CCD ID: PPY
Number of entries in BioLiP: 41
Chemical formula: C9 H8 O3
InChI: InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChIKey: BTNMPGBKDVTSJY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(=O)C(=O)O
CACTVS 3.341OC(=O)C(=O)Cc1ccccc1
ACDLabs 10.04O=C(C(=O)O)Cc1ccccc1
Name:3-PHENYLPYRUVIC ACID
ChEMBL: CHEMBL1162488
DrugBank: DB03884
ZINC: ZINC000000901485
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).