BioLiP

PDB

BioLiP

PDB CCD ID:

NVO

Number of entries in BioLiP:

Chemical formula:

C16 H12 Cl N3 O

InChI:

InChI=1S/C16H12ClN3O/c17-13-6-3-4-11(8-13)9-15(21)19-16-14-7-2-1-5-12(14)10-18-20-16/h1-8,10H,9H2,(H,19,20,21)

InChIKey:

ATNZGZHLHMEMFV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1cccc(CC(=O)Nc2nncc3ccccc23)c1
ACDLabs 12.01	Clc1cccc(c1)CC(=O)Nc1nncc2ccccc21
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)cnnc2NC(=O)Cc3cccc(c3)Cl

Name:

2-(3-chlorophenyl)-N-(phthalazin-1-yl)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).