SEQ2FUN

BioLiP

PDB CCD ID: BZM
Number of entries in BioLiP: 6
Chemical formula: C14 H12 O2
InChI: InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey: SESFRYSPDFLNCH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)COC(=O)c2ccccc2
ACDLabs 10.04
CACTVS 3.341		O=C(OCc1ccccc1)c2ccccc2
Name:BENZOIC ACID PHENYLMETHYLESTER
ChEMBL: CHEMBL1239
DrugBank: DB00676
ZINC: ZINC000000001021
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).