BioLiP

PDB

BioLiP

PDB CCD ID:

E0T

Number of entries in BioLiP:

Chemical formula:

C11 H6 Cl2 O3

InChI:

InChI=1S/C11H6Cl2O3/c12-7-3-1-2-6(10(7)13)8-4-5-9(16-8)11(14)15/h1-5H,(H,14,15)

InChIKey:

BSMKDXIJGSTBNT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(c(c(c1)Cl)Cl)c2ccc(o2)C(=O)O
CACTVS 3.385	OC(=O)c1oc(cc1)c2cccc(Cl)c2Cl

Name:

5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid

ZINC:

ZINC000000157395

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).