SEQ2FUN

BioLiP

PDB CCD ID: C0H
Number of entries in BioLiP: 1
Chemical formula: C9 H8 Cl N5
InChI: InChI=1S/C9H8ClN5/c10-6-3-1-2-4-7(6)14-9-13-5-12-8(11)15-9/h1-5H,(H3,11,12,13,14,15)
InChIKey: KKDOZPQOEFYIRU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ncnc(Nc2ccccc2Cl)n1
OpenEye OEToolkits 2.0.6c1ccc(c(c1)Nc2ncnc(n2)N)Cl
Name:~{N}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine
ChEMBL: CHEMBL1721570
ZINC: ZINC000000089429

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).