BioLiP

PDB

BioLiP

PDB CCD ID:

A1JG9

Number of entries in BioLiP:

Chemical formula:

C15 H11 N3 O4

InChI:

InChI=1S/C15H11N3O4/c16-13(19)8-1-3-9(4-2-8)22-10-5-6-11-12(7-10)15(21)18-17-14(11)20/h1-7H,(H2,16,19)(H,17,20)(H,18,21)

InChIKey:

WMQQQNFHADZJGQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)c1ccc(Oc2ccc3C(=O)NNC(=O)c3c2)cc1
OpenEye OEToolkits 2.0.7	c1cc(ccc1C(=O)N)Oc2ccc3c(c2)C(=O)NNC3=O

Name:

4-[[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-6-yl]oxy]benzamide

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).