BioLiP

PDB

BioLiP

PDB CCD ID:

VII

Number of entries in BioLiP:

Chemical formula:

C18 H12 O5

InChI:

InChI=1S/C18H12O5/c19-17(20)13-14(18(21)22)16(12-9-5-2-6-10-12)23-15(13)11-7-3-1-4-8-11/h1-10H,(H,19,20)(H,21,22)

InChIKey:

QPKYPOMZPFDBEZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)c2c(oc(c1ccccc1)c2C(=O)O)c3ccccc3
CACTVS 3.341	OC(=O)c1c(oc(c2ccccc2)c1C(O)=O)c3ccccc3
OpenEye OEToolkits 1.5.0	c1ccc(cc1)c2c(c(c(o2)c3ccccc3)C(=O)O)C(=O)O

Name:

2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID;
2-5-DIPHENYL-3,4-FURANDICARBOXYLIC ACID

DrugBank:

DB08702

ZINC:

ZINC000000345566

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).