BioLiP

PDB

BioLiP

PDB CCD ID:

A1JHC

Number of entries in BioLiP:

Chemical formula:

C15 H11 Cl N2 O3

InChI:

InChI=1S/C15H11ClN2O3/c16-10-3-1-2-9(6-10)8-21-11-4-5-12-13(7-11)15(20)18-17-14(12)19/h1-7H,8H2,(H,17,19)(H,18,20)

InChIKey:

SEISNDDCVIFKTB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1cccc(COc2ccc3C(=O)NNC(=O)c3c2)c1
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)Cl)COc2ccc3c(c2)C(=O)NNC3=O

Name:

6-[(3-chlorophenyl)methoxy]-2,3-dihydrophthalazine-1,4-dione

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).