BioLiP

PDB

BioLiP

PDB CCD ID:

L7K

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CCn2c(nnn2)C(C3CCCCC3)NN
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CCn2c(nnn2)[C@@H](C3CCCCC3)NN
CACTVS 3.385	NN[CH](C1CCCCC1)c2nnnn2CCc3ccccc3
CACTVS 3.385	NN[C@H](C1CCCCC1)c2nnnn2CCc3ccccc3

Name:

[(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]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).