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BioLiP

PDB CCD ID: K1S
Number of entries in BioLiP: 7
Chemical formula: C10 H15 N5
InChI: InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3
InChIKey: GSNOZLZNQMLSKJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCN(CC)c1cc(C)nc2ncnn12
OpenEye OEToolkits 2.0.6CCN(CC)c1cc(nc2n1ncn2)C
ACDLabs 12.01n1c(cc(n2ncnc12)N(CC)CC)C
Name:N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
ChEMBL: CHEMBL132767
DrugBank: DB09283
ZINC: ZINC000000002202
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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