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BioLiP Library

PDB CCD ID: WNA
Number of entries in BioLiP: 2
Chemical formula: C10 H13 N5
InChI: InChI=1S/C10H13N5/c1-8-5-3-4-6-9(8)7-11-10-12-13-14-15(10)2/h3-6H,7H2,1-2H3,(H,11,12,14)
InChIKey: CHQPGTNAKZDALZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccccc1CNc2nnnn2C
CACTVS 3.385Cn1nnnc1NCc2ccccc2C
ACDLabs 12.01c2(NCc1c(C)cccc1)nnnn2C
Name:1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine
ChEMBL: CHEMBL1450237
ZINC: ZINC000000360580
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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