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BioLiP

PDB CCD ID: 47Z
Number of entries in BioLiP: 1
Chemical formula: C7 H14 N4
InChI: InChI=1S/C7H14N4/c1-5(2)6(8)7-9-4-10-11(7)3/h4-6H,8H2,1-3H3/t6-/m0/s1
InChIKey: LUTYSHHATVYMSC-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)[C@@H](c1ncnn1C)N
CACTVS 3.385CC(C)[C@H](N)c1ncnn1C
OpenEye OEToolkits 2.0.7CC(C)C(c1ncnn1C)N
CACTVS 3.385CC(C)[CH](N)c1ncnn1C
Name:(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
ZINC: ZINC000019091727
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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