SEQ2FUN

BioLiP

PDB CCD ID: ATZ
Number of entries in BioLiP: 1
Chemical formula: C8 H14 Cl N5
InChI: InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
InChIKey: MXWJVTOOROXGIU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc1nc(nc(n1)NC(C)C)NCC
CACTVS 3.341CCNc1nc(Cl)nc(NC(C)C)n1
OpenEye OEToolkits 1.5.0CCNc1nc(nc(n1)Cl)NC(C)C
Name:2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO -1,3,5-TRIAZINE;
ATRAZINE
ChEMBL: CHEMBL15063
DrugBank: DB07392
ZINC: ZINC000003078958
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).