BioLiP

PDB

BioLiP

PDB CCD ID:

7VF

Number of entries in BioLiP:

Chemical formula:

C16 H13 N O2

InChI:

InChI=1S/C16H13NO2/c1-10-8-11(2-5-16(10)19)13-6-7-17-15-9-12(18)3-4-14(13)15/h2-9,18-19H,1H3

InChIKey:

QXFYDRYRLOHSBD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cc(ccc1O)c2ccnc3cc(O)ccc23
OpenEye OEToolkits 2.0.6	Cc1cc(ccc1O)c2ccnc3c2ccc(c3)O

Name:

4-(3-methyl-4-oxidanyl-phenyl)quinolin-7-ol

ChEMBL:

CHEMBL5176610

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).