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BioLiP

PDB CCD ID: S8J
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N5 O2
InChI: InChI=1S/C11H13N5O2/c1-3-18-9-6-4-5-8(7-9)10(17)12-11-13-15-16(2)14-11/h4-7H,3H2,1-2H3,(H,12,14,17)
InChIKey: QUQSTKZNAZQZRQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCOc1cccc(c1)C(=O)Nc2nnn(n2)C
CACTVS 3.385CCOc1cccc(c1)C(=O)Nc2nnn(C)n2
Name:3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide
ZINC: ZINC000000558131
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)(download the PDF file).
  • 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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