SEQ2FUN

BioLiP

PDB CCD ID: 7ZF
Number of entries in BioLiP: 1
Chemical formula: C9 H9 N5
InChI: InChI=1S/C9H9N5/c10-8-11-6-12-9(14-8)13-7-4-2-1-3-5-7/h1-6H,(H3,10,11,12,13,14)
InChIKey: YMFGJWGABDOFID-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ncnc(Nc2ccccc2)n1
OpenEye OEToolkits 2.0.6c1ccc(cc1)Nc2ncnc(n2)N
Name:N-phenyl-1,3,5-triazine-2,4-diamine
ChEMBL: CHEMBL13589
ZINC: ZINC000000000907
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).