BioLiP

PDB

BioLiP

PDB CCD ID:

FQA

Number of entries in BioLiP:

Chemical formula:

C13 H20 N2 O2

InChI:

InChI=1S/C13H20N2O2/c14-12(13(16)17)8-4-5-9-15-10-11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10,14H2,(H,16,17)/t12-/m0/s1

InChIKey:

QHFWIZMMKPGTRI-LBPRGKRZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)CNCCCCC(C(=O)O)N
OpenEye OEToolkits 2.0.6	c1ccc(cc1)CNCCCC[C@@H](C(=O)O)N
ACDLabs 12.01	NC(C(O)=O)CCCCNCc1ccccc1
CACTVS 3.385	N[C@@H](CCCCNCc1ccccc1)C(O)=O
CACTVS 3.385	N[CH](CCCCNCc1ccccc1)C(O)=O

Name:

N~6~-benzyl-L-lysine

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).