BioLiP

PDB

BioLiP

PDB CCD ID:

HH9

Number of entries in BioLiP:

Chemical formula:

C14 H7 Cl O4

InChI:

InChI=1S/C14H7ClO4/c15-10-6-7(14(17)18)5-9-12(16)8-3-1-2-4-11(8)19-13(9)10/h1-6H,(H,17,18)

InChIKey:

XMSOQTUJOFAGGK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(=O)c3cc(cc(c3O2)Cl)C(=O)O
CACTVS 3.385	OC(=O)c1cc(Cl)c2Oc3ccccc3C(=O)c2c1

Name:

4-chloranyl-9-oxidanylidene-xanthene-2-carboxylic acid

ChEMBL:

CHEMBL4851268

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).