BioLiP

PDB

BioLiP

PDB CCD ID:

9R4

Number of entries in BioLiP:

Chemical formula:

C9 H16 N2 O5

InChI:

InChI=1S/C9H16N2O5/c1-9(2,8(15)16)11-6(12)4-3-5(10)7(13)14/h5H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t5-/m1/s1

InChIKey:

SWPZYVBHCFOANH-RXMQYKEDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)(NC(=O)CC[CH](N)C(O)=O)C(O)=O
CACTVS 3.385	CC(C)(NC(=O)CC[C@@H](N)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6	CC(C)(C(=O)O)NC(=O)CC[C@H](C(=O)O)N
ACDLabs 12.01	NC(CCC(NC(C)(C(O)=O)C)=O)C(O)=O
OpenEye OEToolkits 2.0.6	CC(C)(C(=O)O)NC(=O)CCC(C(=O)O)N

Name:

D-gamma-glutamyl-2-methyl-L-alanine

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).