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BioLiP Library

PDB CCD ID: OKM
Number of entries in BioLiP: 4
Chemical formula: C8 H15 N5 O
InChI: InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)
InChIKey: NFMIMWNQWAWNDW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCNc1nc(nc(n1)O)NC(C)C
ACDLabs 12.01CC(Nc1nc(nc(NCC)n1)O)C
CACTVS 3.385CCNc1nc(O)nc(NC(C)C)n1
Name:4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol
ZINC: ZINC000013540805
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)(download the PDF file).
  • 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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