BioLiP

PDB

BioLiP

PDB CCD ID:

T1W

Number of entries in BioLiP:

Chemical formula:

C11 H20 N2 O2

InChI:

InChI=1S/C11H20N2O2/c1-10-4-2-3-5-13(10)11(14)12-6-8-15-9-7-12/h10H,2-9H2,1H3/t10-/m0/s1

InChIKey:

FLEIZTSEYWQEHP-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	C[C@H]1CCCCN1C(=O)N2CCOCC2
OpenEye OEToolkits 2.0.7	CC1CCCCN1C(=O)N2CCOCC2
CACTVS 3.385	C[CH]1CCCCN1C(=O)N2CCOCC2

Name:

[(2~{S})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone

ZINC:

ZINC000000030267

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).