SEQ2FUN

BioLiP

PDB CCD ID: TAQ
Number of entries in BioLiP: 8
Chemical formula: C8 H9 N5
InChI: InChI=1S/C8H9N5/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,9H2,(H4,10,11,12,13)
InChIKey: LJBWEZVYRBKOCI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1ccc2nc(N)nc(N)c2c1
OpenEye OEToolkits 1.5.0c1cc2c(cc1N)c(nc(n2)N)N
ACDLabs 10.04n2c1c(cc(cc1)N)c(nc2N)N
Name:2,4,6-TRIAMINOQUINAZOLINE
ChEMBL: CHEMBL6885
DrugBank: DB02532
ZINC: ZINC000012343994
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).