BioLiP

PDB

BioLiP

PDB CCD ID:

3IE

Number of entries in BioLiP:

Chemical formula:

C4 H11 N O

InChI:

InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m0/s1

InChIKey:

NXMXETCTWNXSFG-BYPYZUCNSA-N

SMILES:

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

Name:

(2~{S})-1-methoxypropan-2-amine

ZINC:

ZINC000002572631

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).