SEQ2FUN

BioLiP

PDB CCD ID: F9Q
Number of entries in BioLiP: 1
Chemical formula: C15 H11 Cl F N5
InChI: InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)
InChIKey: NCWQLHHDGDXIJN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cc(cc(n1)Cl)c2c(nc(nn2)N)c3ccc(cc3)F
CACTVS 3.385Cc1cc(cc(Cl)n1)c2nnc(N)nc2c3ccc(F)cc3
Name:6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
ChEMBL: CHEMBL4594442
DrugBank: DB16192
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).