BioLiP

PDB

BioLiP

PDB CCD ID:

JLM

Number of entries in BioLiP:

Chemical formula:

C10 H8 O3

InChI:

InChI=1S/C10H8O3/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12)

InChIKey:

YMZTUCZCQMQFMK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c12c(C)c(C(O)=O)oc1cccc2
CACTVS 3.385	Cc1c(oc2ccccc12)C(O)=O
OpenEye OEToolkits 2.0.6	Cc1c2ccccc2oc1C(=O)O

Name:

3-methyl-1-benzofuran-2-carboxylic acid

ZINC:

ZINC000000107768

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).