BioLiP

PDB

BioLiP

PDB CCD ID:

DBF

Number of entries in BioLiP:

Chemical formula:

C14 H8 O5

InChI:

InChI=1S/C14H8O5/c15-13(16)9-5-1-3-7-8-4-2-6-10(14(17)18)12(8)19-11(7)9/h1-6H,(H,15,16)(H,17,18)

InChIKey:

HBBGSNOHAGNQRQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)c1cccc2c1oc3c(cccc23)C(O)=O
OpenEye OEToolkits 1.5.0	c1cc2c3cccc(c3oc2c(c1)C(=O)O)C(=O)O
ACDLabs 10.04	O=C(O)c3c2oc1c(cccc1c2ccc3)C(=O)O

Name:

DIBENZOFURAN-4,6-DICARBOXYLIC ACID

DrugBank:

DB03682

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).