SEQ2FUN

BioLiP

PDB CCD ID: ENO
Number of entries in BioLiP: 34
Chemical formula: C9 H8 O4
InChI: InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
InChIKey: KKADPXVIOXHVKN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)C(=O)Cc1ccc(O)cc1
ACDLabs 10.04O=C(O)C(=O)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(=O)C(=O)O)O
Name:3-(4-HYDROXY-PHENYL)PYRUVIC ACID;
HPP
ChEMBL: CHEMBL607712
DrugBank: DB07718
ZINC: ZINC000000895711
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).