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BioLiP

PDB CCD ID: ZVO
Number of entries in BioLiP: 1
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:
SoftwareSMILES
CACTVS 3.385CN1N=C(N)c2c[nH]c3ncnc1c23
OpenEye OEToolkits 1.7.6CN1c2c3c(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, Peter L 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).

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