BioLiP

PDB

BioLiP

PDB CCD ID:

HQD

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O2

InChI:

InChI=1S/C10H9NO2/c1-6-9(12)10(13)7-4-2-3-5-8(7)11-6/h2-5,12H,1H3,(H,11,13)

InChIKey:

FSCXZVPPDJYLDD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	CC1=C(O)C(=O)c2ccccc2N1
ACDLabs 10.04	O=C2c1c(cccc1)NC(=C2O)C
OpenEye OEToolkits 1.6.1	CC1=C(C(=O)c2ccccc2N1)O

Name:

3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE

ZINC:

ZINC000016343276

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).