BioLiP

PDB

BioLiP

PDB CCD ID:

LME

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O4

InChI:

InChI=1S/C6H11NO4/c1-3(2-4(8)9)5(7)6(10)11/h3,5H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,5+/m1/s1

InChIKey:

FHJNAFIJPFGZRI-WUJLRWPWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C[C@H](CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370	C[CH](CC(O)=O)[CH](N)C(O)=O
OpenEye OEToolkits 1.7.0	CC(CC(=O)O)C(C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)C(CC(=O)O)C
CACTVS 3.370	C[C@H](CC(O)=O)[C@H](N)C(O)=O

Name:

(2S,3R)-2-azanyl-3-methyl-pentanedioic acid;
(3R)-3-methyl-L-glutamic acid

ChEMBL:

CHEMBL290744

DrugBank:

DB03810

ZINC:

ZINC000001672629

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).