BioLiP

PDB

BioLiP

PDB CCD ID:

J4Z

Number of entries in BioLiP:

Chemical formula:

C20 H15 N5

InChI:

InChI=1S/C20H15N5/c1-13-8-19(25-20(23-13)21-12-22-25)24-18-7-6-16-9-14-4-2-3-5-15(14)10-17(16)11-18/h2-12,24H,1H3

InChIKey:

OXYDLVAOXASTMW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n5ncnc5n1
OpenEye OEToolkits 1.7.0	Cc1cc(n2c(n1)ncn2)Nc3ccc4cc5ccccc5cc4c3
ACDLabs 11.02	n4c(cc(Nc3cc2cc1ccccc1cc2cc3)n5ncnc45)C

Name:

N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

ChEMBL:

CHEMBL475814

DrugBank:

DB08006

ZINC:

ZINC000040917822

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).