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BioLiP

PDB CCD ID: L7K
Number of entries in BioLiP: 1
Chemical formula: C16 H24 N6
InChI: InChI=1S/C16H24N6/c17-18-15(14-9-5-2-6-10-14)16-19-20-21-22(16)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,18H,2,5-6,9-12,17H2/t15-/m1/s1
InChIKey: RYAQXBFFYZPWMF-OAHLLOKOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCn2c(nnn2)C(C3CCCCC3)NN
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCn2c(nnn2)[C@@H](C3CCCCC3)NN
CACTVS 3.385NN[CH](C1CCCCC1)c2nnnn2CCc3ccccc3
CACTVS 3.385NN[C@H](C1CCCCC1)c2nnnn2CCc3ccccc3
Name:[(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]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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