BioLiP

PDB

BioLiP

PDB CCD ID:

HG6

Number of entries in BioLiP:

Chemical formula:

C15 H7 Cl O4

InChI:

InChI=1S/C15H7ClO4/c16-11-6-7(15(19)20)5-10-12(11)14(18)9-4-2-1-3-8(9)13(10)17/h1-6H,(H,19,20)

InChIKey:

WRJVLGUSGCVLDE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(=O)c3cc(cc(c3C2=O)Cl)C(=O)O
CACTVS 3.385	OC(=O)c1cc(Cl)c2C(=O)c3ccccc3C(=O)c2c1

Name:

4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid

ChEMBL:

CHEMBL4849950

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).