BioLiP

PDB

BioLiP

PDB CCD ID:

2YG

Number of entries in BioLiP:

Chemical formula:

C12 H26 N4 O3

InChI:

InChI=1S/C12H26N4O3/c13-7-3-1-5-9(14)11(17)16-8-4-2-6-10(15)12(18)19/h9-10H,1-8,13-15H2,(H,16,17)(H,18,19)/t9-,10-/m0/s1

InChIKey:

ISWYJQKGNGBKJG-UWVGGRQHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCCCC[CH](N)C(=O)NCCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.7.6	C(CCN)CC(C(=O)NCCCCC(C(=O)O)N)N
CACTVS 3.385	NCCCC[C@H](N)C(=O)NCCCC[C@H](N)C(O)=O
ACDLabs 12.01	O=C(O)C(N)CCCCNC(=O)C(N)CCCCN
OpenEye OEToolkits 1.7.6	C(CCN)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)N

Name:

N~6~-L-lysyl-L-lysine

ZINC:

ZINC000034893631

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).