BioLiP

PDB

BioLiP

PDB CCD ID:

A1JHB

Number of entries in BioLiP:

Chemical formula:

C16 H13 F N2 O3

InChI:

InChI=1S/C16H13FN2O3/c17-14-4-2-1-3-10(14)7-8-22-11-5-6-12-13(9-11)16(21)19-18-15(12)20/h1-6,9H,7-8H2,(H,18,20)(H,19,21)

InChIKey:

YEMZLKBVSQOAOO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)CCOc2ccc3c(c2)C(=O)NNC3=O)F
CACTVS 3.385	Fc1ccccc1CCOc2ccc3C(=O)NNC(=O)c3c2

Name:

6-[2-(2-fluorophenyl)ethoxy]-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).