BioLiP

PDB

BioLiP

PDB CCD ID:

38U

Number of entries in BioLiP:

Chemical formula:

C11 H10 O2

InChI:

InChI=1S/C11H10O2/c1-7-9-5-3-2-4-8(9)6-10(7)11(12)13/h2-5H,6H2,1H3,(H,12,13)

InChIKey:

RONBYWGSEXDEKC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1=C(Cc2ccccc12)C(O)=O
OpenEye OEToolkits 1.7.6	CC1=C(Cc2c1cccc2)C(=O)O
ACDLabs 12.01	O=C(O)C2=C(c1ccccc1C2)C

Name:

3-methyl-1H-indene-2-carboxylic acid

ZINC:

ZINC000000406928

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).