BioLiP

PDB

BioLiP

PDB CCD ID:

X51

Number of entries in BioLiP:

Chemical formula:

C6 H16 N2 O2

InChI:

InChI=1S/C6H16N2O2/c1-6(9,10)8-5-3-2-4-7/h8-10H,2-5,7H2,1H3

InChIKey:

SEXXKOJZDMIAOI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(NCCCCN)(O)O
ACDLabs 12.01	CC(O)(NCCCCN)O
CACTVS 3.385	CC(O)(O)NCCCCN

Name:

1-[(4-aminobutyl)amino]ethane-1,1-diol

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).