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BioLiP

PDB CCD ID: M45
Number of entries in BioLiP: 1
Chemical formula: C6 H11 N5
InChI: InChI=1S/C6H11N5/c1-2-5(7-3-1)10-6-8-4-9-11-6/h4-5,7H,1-3H2,(H2,8,9,10,11)/t5-/m0/s1
InChIKey: WNMXGGSUOUEZIK-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1nc([nH]n1)N[C@H]2CCCN2
CACTVS 3.385C1CN[CH](C1)Nc2[nH]ncn2
CACTVS 3.385C1CN[C@H](C1)Nc2[nH]ncn2
OpenEye OEToolkits 2.0.7c1nc([nH]n1)NC2CCCN2
Name:~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-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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