BioLiP

PDB

BioLiP

PDB CCD ID:

V9U

Number of entries in BioLiP:

Chemical formula:

C8 H5 Cl N2 O

InChI:

InChI=1S/C8H5ClN2O/c9-4-1-2-5-6(3-4)8(12)11-7(5)10/h1-3H,(H2,10,11,12)

InChIKey:

KLICXIFDRLZSGO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1Cl)C(=O)N=C2N
CACTVS 3.385	NC1=NC(=O)c2cc(Cl)ccc12

Name:

3-azanyl-6-chloranyl-isoindol-1-one

ZINC:

ZINC000136955503

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).