SEQ2FUN

BioLiP

PDB CCD ID: 791
Number of entries in BioLiP: 1
Chemical formula: C9 H8 O4
InChI: InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)
InChIKey: WWYDYZMNFQIYPT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(C(=O)O)C(=O)O
CACTVS 3.341OC(=O)C(C(O)=O)c1ccccc1
ACDLabs 10.04O=C(O)C(C(=O)O)c1ccccc1
Name:2-PHENYLMALONIC ACID;
RU78191
ChEMBL: CHEMBL78794
DrugBank: DB04080
ZINC: ZINC000008465797
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).