BioLiP

PDB

BioLiP

PDB CCD ID:

HNO

Number of entries in BioLiP:

Chemical formula:

C12 H13 Cl2 N3

InChI:

InChI=1S/C12H13Cl2N3/c1-12(2,3)17-11-6-15-9-4-7(13)8(14)5-10(9)16-11/h4-6H,1-3H3,(H,16,17)

InChIKey:

QYEPFRWKAAVUOP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)(C)Nc1cnc2cc(Cl)c(Cl)cc2n1
OpenEye OEToolkits 2.0.7	CC(C)(C)Nc1cnc2cc(c(cc2n1)Cl)Cl

Name:

N-tert-butyl-6,7-bis(chloranyl)quinoxalin-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).