BioLiP

PDB

BioLiP

PDB CCD ID:

MT0

Number of entries in BioLiP:

Chemical formula:

C9 H7 Cl N2

InChI:

InChI=1S/C9H7ClN2/c1-6-7-4-2-3-5-8(7)9(10)12-11-6/h2-5H,1H3

InChIKey:

IEDBAGGSOLFBBH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	Cc1nnc(Cl)c2ccccc12
OpenEye OEToolkits 1.6.1	Cc1c2ccccc2c(nn1)Cl
ACDLabs 10.04	Clc2nnc(c1c2cccc1)C

Name:

1-CHLORO-4-METHYLPHTHALAZINE

ZINC:

ZINC000000254692

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).