BioLiP

PDB

BioLiP

PDB CCD ID:

KD4

Number of entries in BioLiP:

Chemical formula:

C10 H9 Cl N2 O

InChI:

InChI=1S/C10H9ClN2O/c1-6-10(11)13-7-4-3-5-8(14-2)9(7)12-6/h3-5H,1-2H3

InChIKey:

ZBKVHXYHLSSFDG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(nc2cccc(c2n1)OC)Cl
ACDLabs 12.01 CACTVS 3.385	COc1cccc2nc(Cl)c(C)nc12

Name:

2-chloro-5-methoxy-3-methylquinoxaline

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).