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BioLiP

PDB CCD ID: B2J
Number of entries in BioLiP: 3
Chemical formula: C6 H10 N4 S
InChI: InChI=1S/C6H10N4S/c1-3-11-6-9-4(2)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10)
InChIKey: PJQMCVIFTDRXNT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01S(c1nc(nc(n1)N)C)CC
OpenEye OEToolkits 1.7.2CCSc1nc(nc(n1)N)C
CACTVS 3.370CCSc1nc(C)nc(N)n1
Name:4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine
ChEMBL: CHEMBL1834390
ZINC: ZINC000000076663
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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