BioLiP

PDB

BioLiP

PDB CCD ID:

A1I3R

Number of entries in BioLiP:

Chemical formula:

C9 H15 N O

InChI:

InChI=1S/C9H15NO/c1-7-2-4-9(5-3-7)6-8(11)10-9/h7H,2-6H2,1H3,(H,10,11)/t7-,9-

InChIKey:

XBPDQBWCZIJYGA-XWEPSHTISA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@@H]1CC[C@@]2(CC1)CC(=O)N2
OpenEye OEToolkits 2.0.7	CC1CCC2(CC1)CC(=O)N2
CACTVS 3.385	C[CH]1CC[C]2(CC1)CC(=O)N2

Name:

7-methyl-1-azaspiro[3.5]nonan-2-one

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).