BioLiP

PDB

BioLiP

PDB CCD ID:

A1BLJ

Number of entries in BioLiP:

Chemical formula:

C11 H11 Cl N4

InChI:

InChI=1S/C11H11ClN4/c1-16(2)10-7-9(11(12)15-14-10)8-3-5-13-6-4-8/h3-7H,1-2H3

InChIKey:

TXDDCILZWXYXEH-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	CN(C)c1cc(c2ccncc2)c(Cl)nn1
CACTVS 3.385	CN(C)c1cc(c(Cl)nn1)c2ccncc2
OpenEye OEToolkits 3.1.0.0	CN(C)c1cc(c(nn1)Cl)c2ccncc2

Name:

6-chloro-N,N-dimethyl-5-(pyridin-4-yl)pyridazin-3-amine

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).