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BioLiP Library

PDB CCD ID: 620
Number of entries in BioLiP: 2
Chemical formula: C15 H16 N6 O
InChI: InChI=1S/C15H16N6O/c16-15-18-19-20-21(15)17-10-13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9,17H,10-11H2,(H2,16,18,20)
InChIKey: XCHYCELRMQJATG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n3nnn(NCc2cc(OCc1ccccc1)ccc2)c3N
CACTVS 3.385Nc1nnnn1NCc2cccc(OCc3ccccc3)c2
OpenEye OEToolkits 1.9.2c1ccc(cc1)COc2cccc(c2)CNn3c(nnn3)N
Name:N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine
ChEMBL: CHEMBL1389441
ZINC: ZINC000000359522
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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