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BioLiP

PDB CCD ID: XGJ
Number of entries in BioLiP: 6
Chemical formula: C2 H8 N4
InChI: InChI=1S/C2H8N4/c3-2-4-1-5-6-2/h2,4-6H,1,3H2/t2-/m1/s1
InChIKey: OKGXDOJTXCDXPH-UWTATZPHSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NC1NNCN1
CACTVS 3.385N[CH]1NCNN1
OpenEye OEToolkits 2.0.7C1N[C@H](NN1)N
OpenEye OEToolkits 2.0.7C1NC(NN1)N
CACTVS 3.385N[C@H]1NCNN1
Name:(3S)-1,2,4-triazolidin-3-amine
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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