BioLiP

PDB

BioLiP

PDB CCD ID:

XK1

Number of entries in BioLiP:

Chemical formula:

C4 H10 N2 O

InChI:

InChI=1S/C4H10N2O/c5-1-4-2-7-3-6-4/h4,6H,1-3,5H2/t4-/m1/s1

InChIKey:

JUAFUPTWZIUUQO-SCSAIBSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC[CH]1COCN1
ACDLabs 12.01	NCC1NCOC1
CACTVS 3.385	NC[C@@H]1COCN1
OpenEye OEToolkits 2.0.7	C1C(NCO1)CN
OpenEye OEToolkits 2.0.7	C1[C@H](NCO1)CN

Name:

1-[(4R)-1,3-oxazolidin-4-yl]methanamine

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).