BioLiP

PDB

BioLiP

PDB CCD ID:

MLY

Number of entries in BioLiP:

Chemical formula:

C8 H18 N2 O2

InChI:

InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1

InChIKey:

XXEWFEBMSGLYBY-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CN(C)CCCC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0	CN(C)CCCCC(C(=O)O)N
CACTVS 3.341	CN(C)CCCC[CH](N)C(O)=O
CACTVS 3.341	CN(C)CCCC[C@H](N)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CCCCN(C)C

Name:

N-DIMETHYL-LYSINE

DrugBank:

DB03362

ZINC:

ZINC000002579066

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).