BioLiP

PDB

BioLiP

PDB CCD ID:

3K0

Number of entries in BioLiP:

Chemical formula:

C5 H10 N2 O6 S

InChI:

InChI=1S/C5H10N2O6S/c6-14(12,13)7-3(5(10)11)1-2-4(8)9/h3,7H,1-2H2,(H,8,9)(H,10,11)(H2,6,12,13)/t3-/m0/s1

InChIKey:

ZYYFXKZXQCQRTJ-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N
CACTVS 3.385	N[S](=O)(=O)N[C@@H](CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.9.2	C(CC(=O)O)C(C(=O)O)NS(=O)(=O)N
ACDLabs 12.01	O=S(=O)(NC(C(=O)O)CCC(=O)O)N
CACTVS 3.385	N[S](=O)(=O)N[CH](CCC(O)=O)C(O)=O

Name:

N-sulfamoyl-L-glutamic acid

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).