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BioLiP

PDB CCD ID: ZNN
Number of entries in BioLiP: 1
Chemical formula: C6 H13 N5 O
InChI: InChI=1S/C6H13N5O/c7-3-1-2-4-9-6(12)5-10-11-8/h1-5,7H2,(H,9,12)
InChIKey: SISZTIABCFMEIA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01[N-]=[N+]=N\CC(=O)NCCCCN
OpenEye OEToolkits 1.7.6C(CCNC(=O)CN=[N+]=[N-])CN
CACTVS 3.385NCCCCNC(=O)CN=[N+]=[N-]
Name:N-(4-aminobutyl)-2-azidoacetamide
ZINC: ZINC000263621041
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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