SEQ2FUN

BioLiP

PDB CCD ID: MPB
Number of entries in BioLiP: 11
Chemical formula: C8 H8 O3
InChI: InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
InChIKey: LXCFILQKKLGQFO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COC(=O)c1ccc(cc1)O
ACDLabs 10.04O=C(OC)c1ccc(O)cc1
CACTVS 3.341COC(=O)c1ccc(O)cc1
Name:4-HYDROXY-BENZOIC ACID METHYL ESTER
ChEMBL: CHEMBL325372
DrugBank: DB14212
ZINC: ZINC000000001712
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).