BioLiP

PDB

BioLiP

PDB CCD ID:

89Z

Number of entries in BioLiP:

Chemical formula:

C14 H14 N2 O3

InChI:

InChI=1S/C14H14N2O3/c17-13-11-6-5-10(7-12(11)14(18)16-15-13)19-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2

InChIKey:

NLZNAPGLASOXSV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1OCC3CCCC3)C(=O)N=NC2=O
CACTVS 3.385	O=C1N=NC(=O)c2cc(OCC3CCCC3)ccc12

Name:

6-(cyclopentylmethoxy)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).