BioLiP

PDB

BioLiP

PDB CCD ID:

KBE

Number of entries in BioLiP:

Chemical formula:

C6 H14 N2 O2

InChI:

InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1

InChIKey:

QKEWQOJCHPFEAF-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C(C[C@@H](CC(=O)O)N)CN
CACTVS 3.352	NCCC[CH](N)CC(O)=O
OpenEye OEToolkits 1.7.0	C(CC(CC(=O)O)N)CN
CACTVS 3.352	NCCC[C@H](N)CC(O)=O

Name:

beta-lysine;
(3S)-3,6-diaminohexanoic acid

ZINC:

ZINC000001532872

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).