BioLiP

PDB

BioLiP

PDB CCD ID:

8SY

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O

InChI:

InChI=1S/C10H12N2O/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h3-4,6H,2,5,11H2,1H3

InChIKey:

ULWJTPAOSJSHFG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CN1c2ccc(cc2CCC1=O)N
CACTVS 3.385	CN1C(=O)CCc2cc(N)ccc12
ACDLabs 12.01	N1(C(CCc2cc(ccc12)N)=O)C

Name:

6-amino-1-methyl-3,4-dihydroquinolin-2(1H)-one

ZINC:

ZINC000034936214

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).