BioLiP

PDB

BioLiP

PDB CCD ID:

KHW

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCC(c1nnnn1Cc2ccccc2)NN
OpenEye OEToolkits 2.0.7	CCC[C@H](c1nnnn1Cc2ccccc2)NN
CACTVS 3.385	CCC[CH](NN)c1nnnn1Cc2ccccc2
CACTVS 3.385	CCC[C@@H](NN)c1nnnn1Cc2ccccc2

Name:

[(1~{R})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).