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BioLiP

PDB CCD ID: GZ2
Number of entries in BioLiP: 2
Chemical formula: C7 H9 N5 O
InChI: InChI=1S/C7H9N5O/c13-6-3-1-2-5(4-6)8-7-9-11-12-10-7/h4H,1-3H2,(H2,8,9,10,11,12)
InChIKey: REZXFQGPXQJVJG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C2C=C(Nc1nnnn1)CCC2
OpenEye OEToolkits 1.5.0C1CC(=CC(=O)C1)Nc2[nH]nnn2
CACTVS 3.341O=C1CCCC(=C1)Nc2[nH]nnn2
Name:3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one
ChEMBL: CHEMBL1213369
DrugBank: DB07865
ZINC: ZINC000004401406
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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