BioLiP

PDB

BioLiP

PDB CCD ID:

A1I14

Number of entries in BioLiP:

Chemical formula:

C7 H4 Cl N O2

InChI:

InChI=1S/C7H4ClNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)

InChIKey:

MATCZHXABVLZIE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccc2NC(=O)Oc2c1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1Cl)OC(=O)N2

Name:

6-chloranyl-3~{H}-1,3-benzoxazol-2-one

ChEMBL:

CHEMBL1989517

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).