SEQ2FUN

BioLiP

PDB CCD ID: 6RT
Number of entries in BioLiP: 1
Chemical formula: C17 H16 N6
InChI: InChI=1S/C17H16N6/c1-2-5-13(6-3-1)23-8-4-7-14(23)15-18-16(21-9-10-21)20-17(19-15)22-11-12-22/h1-8H,9-12H2
InChIKey: DAZONCQAIYYVKR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1ccc(cc1)n2cccc2c3nc(nc(n3)N4CC4)N5CC5
CACTVS 3.385C1CN1c2nc(nc(n2)c3cccn3c4ccccc4)N5CC5
Name:2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine
ChEMBL: CHEMBL4568911
ZINC: ZINC000003083154
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).