BioLiP

PDB

BioLiP

PDB CCD ID:

ONT

Number of entries in BioLiP:

Chemical formula:

C6 H15 N O2

InChI:

InChI=1S/C6H15NO2/c1-6(7)5-9-4-3-8-2/h6H,3-5,7H2,1-2H3/t6-/m0/s1

InChIKey:

CMXIILNXYHCYPP-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@@H](COCCOC)N
OpenEye OEToolkits 2.0.7	CC(COCCOC)N
CACTVS 3.385	COCCOC[CH](C)N
CACTVS 3.385	COCCOC[C@H](C)N

Name:

(2~{S})-1-(2-methoxyethoxy)propan-2-amine;
Jeffamine

ZINC:

ZINC000019395126

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).