BioLiP

PDB

BioLiP

PDB CCD ID:

RQG

Number of entries in BioLiP:

Chemical formula:

C11 H10 O3

InChI:

InChI=1S/C11H10O3/c1-7-2-3-10-9(4-7)8(6-14-10)5-11(12)13/h2-4,6H,5H2,1H3,(H,12,13)

InChIKey:

DUMCTHVOZLFMDK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc2occ(CC(O)=O)c2c1
OpenEye OEToolkits 2.0.7	Cc1ccc2c(c1)c(co2)CC(=O)O
ACDLabs 12.01	C(Cc2c1cc(C)ccc1oc2)(O)=O

Name:

(5-methyl-1-benzofuran-3-yl)acetic acid

ZINC:

ZINC000008028739

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).