BioLiP

PDB

BioLiP

PDB CCD ID:

R7J

Number of entries in BioLiP:

Chemical formula:

C16 H11 F O3

InChI:

InChI=1S/C16H11FO3/c17-13-3-1-2-10(6-13)11-4-5-15-14(7-11)12(9-20-15)8-16(18)19/h1-7,9H,8H2,(H,18,19)

InChIKey:

ZIFXDKDCUJZEBV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c2cc1c(c(CC(O)=O)co1)cc2c3cccc(c3)F
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)F)c2ccc3c(c2)c(co3)CC(=O)O
CACTVS 3.385	OC(=O)Cc1coc2ccc(cc12)c3cccc(F)c3

Name:

[5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid

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).