BioLiP

PDB

BioLiP

PDB CCD ID:

ZVO

Number of entries in BioLiP:

Chemical formula:

C8 H8 N6

InChI:

InChI=1S/C8H8N6/c1-14-8-5-4(6(9)13-14)2-10-7(5)11-3-12-8/h2-3H,1H3,(H2,9,13)(H,10,11,12)

InChIKey:

AJJBAXSCYXENBJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1N=C(N)c2c[nH]c3ncnc1c23
OpenEye OEToolkits 1.7.6	CN1c2c3c(c[nH]c3ncn2)C(=N1)N

Name:

5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine

ZINC:

ZINC000584905718

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).