BioLiP

PDB

BioLiP

PDB CCD ID:

LVF

Number of entries in BioLiP:

Chemical formula:

C10 H7 Cl N2

InChI:

InChI=1S/C10H7ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2

InChIKey:

UHFZUNGNGGEESB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccc2[nH]cc(CC#N)c2c1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1Cl)c(c[nH]2)CC#N

Name:

2-(5-chloranyl-1H-indol-3-yl)ethanenitrile

ZINC:

ZINC000016697555

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).