BioLiP

PDB

BioLiP

PDB CCD ID:

C9K

Number of entries in BioLiP:

Chemical formula:

C5 H14 N2 O

InChI:

InChI=1S/C5H14N2O/c1-5(6)4-7-2-3-8/h5,7-8H,2-4,6H2,1H3/t5-/m0/s1

InChIKey:

XALTWITXELVMHP-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH](N)CNCCO
OpenEye OEToolkits 2.0.6	C[C@@H](CNCCO)N
OpenEye OEToolkits 2.0.6	CC(CNCCO)N
CACTVS 3.385	C[C@H](N)CNCCO

Name:

2-[[(2~{S})-2-azanylpropyl]amino]ethanol

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).