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BioLiP

PDB CCD ID: KHW
Number of entries in BioLiP: 1
Chemical formula: C12 H18 N6
InChI: InChI=1S/C12H18N6/c1-2-6-11(14-13)12-15-16-17-18(12)9-10-7-4-3-5-8-10/h3-5,7-8,11,14H,2,6,9,13H2,1H3/t11-/m1/s1
InChIKey: RXFMIKHNJVMPGC-LLVKDONJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCC(c1nnnn1Cc2ccccc2)NN
OpenEye OEToolkits 2.0.7CCC[C@H](c1nnnn1Cc2ccccc2)NN
CACTVS 3.385CCC[CH](NN)c1nnnn1Cc2ccccc2
CACTVS 3.385CCC[C@@H](NN)c1nnnn1Cc2ccccc2
Name:[(1~{R})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane
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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