BioLiP

PDB

BioLiP

PDB CCD ID:

U0W

Number of entries in BioLiP:

Chemical formula:

C15 H14 O4

InChI:

InChI=1S/C15H14O4/c16-15(17)14-7-6-13(19-14)9-18-12-5-4-10-2-1-3-11(10)8-12/h4-8H,1-3,9H2,(H,16,17)

InChIKey:

BQKLXOGKDTYPRT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1oc(COc2ccc3CCCc3c2)cc1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1OCc3ccc(o3)C(=O)O)CCC2

Name:

5-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-2-furoic acid;
5-(2,3-dihydro-1~{H}-inden-5-yloxymethyl)furan-2-carboxylic acid;
5-(indan-5-yloxymethyl)furan-2-carboxylic acid;
5-(Indan-5-yloxymethyl)-furan-2-carboxylic acid;
5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]furan-2-carboxylic acid

ChEMBL:

CHEMBL5305929

ZINC:

ZINC000000133424

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).