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BioLiP

PDB CCD ID: AX3
Number of entries in BioLiP: 8
Chemical formula: C6 H10 N6
InChI: InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)
InChIKey: LVQDKIWDGQRHTE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1c(nc(nc1N)NC2CC2)N
CACTVS 3.341Nc1nc(N)nc(NC2CC2)n1
OpenEye OEToolkits 1.5.0C1CC1Nc2nc(nc(n2)N)N
Name:N~2~-cyclopropyl-1,3,5-triazine-2,4,6-triamine
ChEMBL: CHEMBL1231107
ZINC: ZINC000000001239
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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