BioLiP

PDB

BioLiP

PDB CCD ID:

8RM

Number of entries in BioLiP:

Chemical formula:

C11 H10 N2 O

InChI:

InChI=1S/C11H10N2O/c1-12-11(14)9-6-8-4-2-3-5-10(8)13-7-9/h2-7H,1H3,(H,12,14)

InChIKey:

PEYHZNNTTOIDDW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N(C(=O)c2cc1ccccc1nc2)C
OpenEye OEToolkits 2.0.6	CNC(=O)c1cc2ccccc2nc1
CACTVS 3.385	CNC(=O)c1cnc2ccccc2c1

Name:

N-methylquinoline-3-carboxamide

ZINC:

ZINC000039225887

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).