BioLiP

PDB

BioLiP

PDB CCD ID:

NO5

Number of entries in BioLiP:

Chemical formula:

C5 H12 N2 O4 S

InChI:

InChI=1S/C5H12N2O4S/c1-3(2)4(5(8)9)7-12(6,10)11/h3-4,7H,1-2H3,(H,8,9)(H2,6,10,11)/t4-/m0/s1

InChIKey:

IIRKLFOBJZBWGF-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)[CH](N[S](N)(=O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	CC(C)C(C(=O)O)NS(=O)(=O)N
CACTVS 3.385	CC(C)[C@H](N[S](N)(=O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	CC(C)[C@@H](C(=O)O)NS(=O)(=O)N

Name:

(2~{S})-3-methyl-2-(sulfamoylamino)butanoic 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).