BioLiP

PDB

BioLiP

PDB CCD ID:

7VC

Number of entries in BioLiP:

Chemical formula:

C17 H15 N O2

InChI:

InChI=1S/C17H15NO2/c1-11-9-12(3-6-17(11)19)14-7-8-18-16-10-13(20-2)4-5-15(14)16/h3-10,19H,1-2H3

InChIKey:

HNYBTVKYLVLWCB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1cc(ccc1O)c2ccnc3c2ccc(c3)OC
CACTVS 3.385	COc1ccc2c(c1)nccc2c3ccc(O)c(C)c3

Name:

4-(7-methoxyquinolin-4-yl)-2-methyl-phenol

ChEMBL:

CHEMBL4790706

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).