BioLiP

PDB

BioLiP

PDB CCD ID:

36G

Number of entries in BioLiP:

Chemical formula:

C17 H18 N2 O2

InChI:

InChI=1S/C17H18N2O2/c1-21-16-11-5-3-9-14(16)18-17(20)19-12-6-8-13-7-2-4-10-15(13)19/h2-5,7,9-11H,6,8,12H2,1H3,(H,18,20)

InChIKey:

VGJHYDGTJKYGLB-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(Nc1ccccc1OC)N3c2ccccc2CCC3
CACTVS 3.385	COc1ccccc1NC(=O)N2CCCc3ccccc23
OpenEye OEToolkits 1.9.2	COc1ccccc1NC(=O)N2CCCc3c2cccc3

Name:

N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide

ZINC:

ZINC000000318945

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).