BioLiP

PDB

BioLiP

PDB CCD ID:

8BW

Number of entries in BioLiP:

Chemical formula:

C13 H12 N2 O3

InChI:

InChI=1S/C13H12N2O3/c16-12-10-5-4-9(18-7-8-2-1-3-8)6-11(10)13(17)15-14-12/h4-6,8H,1-3,7H2

InChIKey:

NWOORGOMYQAWAE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1OCC3CCC3)C(=O)N=NC2=O
CACTVS 3.385	O=C1N=NC(=O)c2cc(OCC3CCC3)ccc12

Name:

6-(cyclobutylmethoxy)phthalazine-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).