BioLiP

PDB

BioLiP

PDB CCD ID:

F04

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O

InChI:

InChI=1S/C11H12N2O/c1-3-13-11(14)10-7-5-4-6-9(10)8(2)12-13/h4-7H,3H2,1-2H3

InChIKey:

ITVFFHLKZDWITI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	CCN1N=C(C)c2ccccc2C1=O
OpenEye OEToolkits 1.6.1	CCN1C(=O)c2ccccc2C(=N1)C

Name:

2-ETHYL-4-METHYL-PHTHALAZIN-1-ONE

ZINC:

ZINC000095921245

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).