BioLiP

PDB

BioLiP

PDB CCD ID:

8DB

Number of entries in BioLiP:

Chemical formula:

C13 H8 N2 O3 S

InChI:

InChI=1S/C13H8N2O3S/c16-12-10-4-3-8(6-11(10)13(17)15-14-12)18-7-9-2-1-5-19-9/h1-6H,7H2

InChIKey:

YWHUYRIBEINGLH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(sc1)COc2ccc3c(c2)C(=O)N=NC3=O
CACTVS 3.385	O=C1N=NC(=O)c2cc(OCc3sccc3)ccc12

Name:

6-(thiophen-2-ylmethoxy)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).