BioLiP

PDB

BioLiP

PDB CCD ID:

8A8

Number of entries in BioLiP:

Chemical formula:

C15 H16 N2 O3

InChI:

InChI=1S/C15H16N2O3/c18-14-12-7-6-11(8-13(12)15(19)17-16-14)20-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2

InChIKey:

FJVMZSOVKUYXNA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C1N=NC(=O)c2cc(OCC3CCCCC3)ccc12
OpenEye OEToolkits 2.0.7	c1cc2c(cc1OCC3CCCCC3)C(=O)N=NC2=O

Name:

6-(cyclohexylmethoxy)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).