BioLiP

PDB

BioLiP

PDB CCD ID:

J5R

Number of entries in BioLiP:

Chemical formula:

C14 H7 Cl O4

InChI:

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

InChIKey:

HVNIYRBLTIFYAJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccc2C(=O)c3c(Cl)cccc3Oc2c1
OpenEye OEToolkits 2.0.7	c1cc2c(c(c1)Cl)C(=O)c3ccc(cc3O2)C(=O)O

Name:

8-chloranyl-9-oxidanylidene-xanthene-3-carboxylic acid

ChEMBL:

CHEMBL4857993

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).