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BioLiP

PDB CCD ID: E30
Number of entries in BioLiP: 0
Chemical formula: C7 H7 N5
InChI: InChI=1S/C7H7N5/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12)
InChIKey: KTPONJJKCBOJCQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1c2[nH]nnn2)N
ACDLabs 12.01n1nnnc1c2ccc(N)cc2
CACTVS 3.385Nc1ccc(cc1)c2[nH]nnn2
Name:4-(1H-tetrazol-5-yl)aniline
ZINC: ZINC000019779350
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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