BioLiP

PDB

BioLiP

PDB CCD ID:

LCK

Number of entries in BioLiP:

Chemical formula:

C10 H18 N2 O4

InChI:

InChI=1S/C10H18N2O4/c1-7(6-9(13)14)12-5-3-2-4-8(11)10(15)16/h8H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-7-/t8-/m0/s1

InChIKey:

PCARXDDZXPRYII-VQLBTBKJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C/C(=N/CCCC[C@@H](C(=O)O)N)/CC(=O)O
CACTVS 3.341	CC(CC(O)=O)=NCCCC[C@H](N)C(O)=O
ACDLabs 10.04	O=C(O)CC(=N/CCCCC(N)C(=O)O)\C
OpenEye OEToolkits 1.5.0	CC(=NCCCCC(C(=O)O)N)CC(=O)O
CACTVS 3.341	CC(CC(O)=O)=NCCCC[CH](N)C(O)=O

Name:

(Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine

ZINC:

ZINC000058639106

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).