SEQ2FUN

BioLiP

PDB CCD ID: ZZ3
Number of entries in BioLiP: 4
Chemical formula: C5 H8 N4 S
InChI: InChI=1S/C5H8N4S/c1-3-7-4(6)9-5(8-3)10-2/h1-2H3,(H2,6,7,8,9)
InChIKey: CQORBMDQIUWHGC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1Cc1nc(nc(n1)SC)N
CACTVS 3.352CSc1nc(C)nc(N)n1
ACDLabs 10.04S(c1nc(nc(n1)N)C)C
Name:4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE
ChEMBL: CHEMBL541949
ZINC: ZINC000000076642
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).