SEQ2FUN

BioLiP

PDB CCD ID: GFE
Number of entries in BioLiP: 4
Chemical formula: C11 H13 Cl2 N5
InChI: InChI=1S/C11H13Cl2N5/c1-11(2)17-9(14)16-10(15)18(11)6-3-4-7(12)8(13)5-6/h3-5H,1-2H3,(H4,14,15,16,17)
InChIKey: FPULLBVUFHTKQQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1(N=C(N=C(N1c2ccc(c(c2)Cl)Cl)N)N)C
CACTVS 3.385CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)c(Cl)c2
Name:1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
ChEMBL: CHEMBL92583
ZINC: ZINC000001666573
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).