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BioLiP

PDB CCD ID: S7S
Number of entries in BioLiP: 3
Chemical formula: C7 H13 N5 O
InChI: InChI=1S/C7H13N5O/c1-3-5-6(13)8-7-9-11-12(4-2)10-7/h3-5H2,1-2H3,(H,8,10,13)
InChIKey: DUUFAOAFBKVYMI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCC(=O)Nc1nnn(n1)CC
CACTVS 3.385CCCC(=O)Nc1nnn(CC)n1
Name:~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide
ZINC: ZINC000000557550
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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