BioLiP

PDB

BioLiP

PDB CCD ID:

WZR

Number of entries in BioLiP:

Chemical formula:

C15 H13 N O2

InChI:

InChI=1S/C15H13NO2/c17-11-6-7-12-13(10-4-2-1-3-5-10)9-15(18)16-14(12)8-11/h1-8,13,17H,9H2,(H,16,18)/t13-/m1/s1

InChIKey:

QBMKHRHNYHHUAR-CYBMUJFWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C2CC(=O)Nc3c2ccc(c3)O
CACTVS 3.385	Oc1ccc2[C@H](CC(=O)Nc2c1)c3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)[C@H]2CC(=O)Nc3c2ccc(c3)O
CACTVS 3.385	Oc1ccc2[CH](CC(=O)Nc2c1)c3ccccc3

Name:

(4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one

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).