BioLiP

PDB

BioLiP

PDB CCD ID:

N2H

Number of entries in BioLiP:

Chemical formula:

C5 H14 N2 O2

InChI:

InChI=1S/C5H14N2O2/c6-3-1-2-4-7-5(8)9/h5,7-9H,1-4,6H2

InChIKey:

JXQFUOSMIWOVKO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCCCCNC(O)O
OpenEye OEToolkits 2.0.4	C(CCNC(O)O)CN

Name:

(4-azanylbutylamino)methanediol;
N-(dihydroxymethyl)putrescine

ZINC:

ZINC000584905780

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).