BioLiP

PDB

BioLiP

PDB CCD ID:

JXO

Number of entries in BioLiP:

Chemical formula:

C8 H6 Cl N3

InChI:

InChI=1S/C8H6ClN3/c9-5-1-2-6-7(3-5)11-4-8(10)12-6/h1-4H,(H2,10,12)

InChIKey:

OBVIIEVSLRCJSF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cnc2cc(Cl)ccc2n1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1Cl)ncc(n2)N
ACDLabs 12.01	Clc1ccc2nc(N)cnc2c1

Name:

6-chloroquinoxalin-2-amine

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).