BioLiP

PDB

BioLiP

PDB CCD ID:

A1BGB

Number of entries in BioLiP:

Chemical formula:

C25 H23 N3 O2

InChI:

InChI=1S/C25H23N3O2/c1-17-9-8-10-18(2)24(17)26-23(29)16-28-25(30)21-14-7-6-13-20(21)22(27-28)15-19-11-4-3-5-12-19/h3-14H,15-16H2,1-2H3,(H,26,29)

InChIKey:

ORLWGDAKUUGLJW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cc1cccc(c1NC(=O)CN2C(=O)c3ccccc3C(=N2)Cc4ccccc4)C
CACTVS 3.385	Cc1cccc(C)c1NC(=O)CN2N=C(Cc3ccccc3)c4ccccc4C2=O
ACDLabs 14.52	Cc1cccc(C)c1NC(=O)CN1N=C(Cc2ccccc2)c2ccccc2C1=O

Name:

2-(4-benzyl-1-oxophthalazin-2(1H)-yl)-N-(2,6-dimethylphenyl)acetamide

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).