BioLiP

PDB

BioLiP

PDB CCD ID:

A1BXG

Number of entries in BioLiP:

Chemical formula:

C14 H13 N3

InChI:

InChI=1S/C14H13N3/c1-9-5-6-11(13-8-16-10(2)17-13)12-4-3-7-15-14(9)12/h3-8H,1-2H3,(H,16,17)

InChIKey:

CZFYCCZCOKYGFG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1[nH]cc(n1)c2ccc(C)c3ncccc23
OpenEye OEToolkits 3.1.0.0	Cc1ccc(c2c1nccc2)c3c[nH]c(n3)C
ACDLabs 14.52	Cc1nc(c[NH]1)c1ccc(C)c2ncccc12

Name:

(5P)-8-methyl-5-(2-methyl-1H-imidazol-4-yl)quinoline

ChEMBL:

CHEMBL5607104

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).