BioLiP

PDB

BioLiP

PDB CCD ID:

BWS

Number of entries in BioLiP:

Chemical formula:

C10 H17 N3 O6

InChI:

InChI=1S/C10H17N3O6/c1-5(9(17)12-4-8(15)16)13-7(14)3-2-6(11)10(18)19/h5-6H,2-4,11H2,1H3,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1

InChIKey:

RPVCUZZJCXVVDW-WDSKDSINSA-N

SMILES:

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

Name:

L-gamma-glutamyl-L-alanylglycine

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).