BioLiP

PDB

BioLiP

PDB CCD ID:

MLZ

Number of entries in BioLiP:

Chemical formula:

C7 H16 N2 O2

InChI:

InChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1

InChIKey:

PQNASZJZHFPQLE-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CNCCCCC(C(=O)O)N
OpenEye OEToolkits 1.5.0	CNCCCC[C@@H](C(=O)O)N
CACTVS 3.341	CNCCCC[CH](N)C(O)=O
CACTVS 3.341	CNCCCC[C@H](N)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CCCCNC

Name:

N-METHYL-LYSINE

DrugBank:

DB01714

ZINC:

ZINC000001529511

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).