BioLiP

PDB

BioLiP

PDB CCD ID:

LLY

Number of entries in BioLiP:

Chemical formula:

C9 H16 N2 O6

InChI:

InChI=1S/C9H16N2O6/c10-5(7(12)13)3-1-2-4-11-6(8(14)15)9(16)17/h5-6,11H,1-4,10H2,(H,12,13)(H,14,15)(H,16,17)/t5-/m0/s1

InChIKey:

XINFXVVRMYBFMI-YFKPBYRVSA-N

SMILES:

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

Name:

NZ-(DICARBOXYMETHYL)LYSINE

DrugBank:

DB01815

ZINC:

ZINC000006360448

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).