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BioLiP

PDB CCD ID: WDZ
Number of entries in BioLiP: 1
Chemical formula: C9 H14 N4 O2
InChI: InChI=1S/C9H14N4O2/c1-15-8(14)6-13-9(10-11-12-13)7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKey: WCYQRJAOQBHETC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)Cn1nnnc1C2CCCC2
OpenEye OEToolkits 2.0.7COC(=O)Cn1c(nnn1)C2CCCC2
ACDLabs 12.01COC(=O)Cn1nnnc1C1CCCC1
Name:methyl (5-cyclopentyl-1H-tetrazol-1-yl)acetate
ZINC: ZINC000078403839
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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