BioLiP

PDB

BioLiP

PDB CCD ID:

LZV

Number of entries in BioLiP:

Chemical formula:

C13 H20 N2 O3

InChI:

InChI=1S/C13H20N2O3/c1-2-18-12(17)10-9-14-11(16)5-8-15(14)13(10)6-3-4-7-13/h10H,2-9H2,1H3/t10-/m0/s1

InChIKey:

XBCGOHFXMUKNAT-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCOC(=O)[C@@H]1CN2N(CCC2=O)C13CCCC3
OpenEye OEToolkits 2.0.6	CCOC(=O)C1CN2C(=O)CCN2C13CCCC3
OpenEye OEToolkits 2.0.6	CCOC(=O)[C@@H]1CN2C(=O)CCN2C13CCCC3
CACTVS 3.385	CCOC(=O)[CH]1CN2N(CCC2=O)C13CCCC3

Name:

ethyl (6~{R})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate

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).