BioLiP

PDB

BioLiP

PDB CCD ID:

I06

Number of entries in BioLiP:

Chemical formula:

C16 H14 N2 O2

InChI:

InChI=1S/C16H14N2O2/c19-15-13-8-4-5-9-14(13)16(20)18(17-15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,19)

InChIKey:

JSSVIGGKHIJEHO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O=C1NN(CCc2ccccc2)C(=O)c3ccccc13
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CCN2C(=O)c3ccccc3C(=O)N2
ACDLabs 10.04	O=C2c1c(cccc1)C(=O)N(N2)CCc3ccccc3

Name:

2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-1,4-DIONE

DrugBank:

DB03421

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).