BioLiP

PDB

BioLiP

PDB CCD ID:

XDF

Number of entries in BioLiP:

Chemical formula:

C12 H14 N2 O2

InChI:

InChI=1S/C12H14N2O2/c1-7-4-10(13)9-5-8(15-2)6-11(16-3)12(9)14-7/h4-6H,1-3H3,(H2,13,14)

InChIKey:

PHFIVVCFXROADV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(c2cc(cc(c2n1)OC)OC)N
CACTVS 3.385	COc1cc(OC)c2nc(C)cc(N)c2c1
ACDLabs 12.01	COc1cc(cc2c(N)cc(C)nc12)OC

Name:

6,8-dimethoxy-2-methylquinolin-4-amine

ZINC:

ZINC000014987950

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).