BioLiP

PDB

BioLiP

PDB CCD ID:

GUG

Number of entries in BioLiP:

Chemical formula:

C13 H14 N2 O

InChI:

InChI=1S/C13H14N2O/c1-9(2)14-13(16)12-8-7-10-5-3-4-6-11(10)15-12/h3-9H,1-2H3,(H,14,16)

InChIKey:

MWZFFJAEAZQGLX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CC(C)NC(=O)c1ccc2ccccc2n1

Name:

~{N}-propan-2-ylquinoline-2-carboxamide

ZINC:

ZINC000000459160

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).