BioLiP

PDB

BioLiP

PDB CCD ID:

I7Z

Number of entries in BioLiP:

Chemical formula:

C7 H5 Cl N2

InChI:

InChI=1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2

InChIKey:

UZHALXIAWJOLLR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cc(Cl)ccc1C#N
OpenEye OEToolkits 2.0.7	c1cc(c(cc1Cl)N)C#N

Name:

2-azanyl-4-chloranyl-benzenecarbonitrile

ZINC:

ZINC000000395567

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).