SEQ2FUN

BioLiP

PDB CCD ID: VLG
Number of entries in BioLiP: 1
Chemical formula: C14 H12 O3
InChI: InChI=1S/C14H12O3/c1-17-13-4-2-3-12(9-13)10-5-7-11(8-6-10)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey: OAMJQKDGQYAQKD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		COc1cccc(c1)c2ccc(cc2)C(O)=O
OpenEye OEToolkits 2.0.7COc1cccc(c1)c2ccc(cc2)C(=O)O
Name:3'-methoxy[1,1'-biphenyl]-4-carboxylic acid;
4-(3'-methoxyphenyl)benzoic acid
ChEMBL: CHEMBL4588996
ZINC: ZINC000002574067
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).