BioLiP

PDB

BioLiP

PDB CCD ID:

GN6

Number of entries in BioLiP:

Chemical formula:

C12 H8 Cl2 N4

InChI:

InChI=1S/C12H8Cl2N4/c13-8-4-1-3-7(11(8)14)9-5-2-6-10-16-12(15)17-18(9)10/h1-6H,(H2,15,17)

InChIKey:

JFVBFJXXXHHBSP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1nn2c(cccc2c3cccc(Cl)c3Cl)n1
OpenEye OEToolkits 2.0.7	c1cc(c(c(c1)Cl)Cl)c2cccc3n2nc(n3)N
ACDLabs 12.01	n12nc(nc1cccc2c3cccc(c3Cl)Cl)N

Name:

5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine

ChEMBL:

CHEMBL4570428

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).