SEQ2FUN

BioLiP

PDB CCD ID: QDB
Number of entries in BioLiP: 1
Chemical formula: C14 H10 O3
InChI: InChI=1S/C14H10O3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H,(H,16,17)
InChIKey: IFQUPKAISSPFTE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc(cc1)C(=O)c2ccccc2
ACDLabs 12.01OC(=O)c1ccc(cc1)C(=O)c1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)O
Name:4-benzoylbenzoic acid
ChEMBL: CHEMBL192648
ZINC: ZINC000002504355
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).