BioLiP

PDB

BioLiP

PDB CCD ID:

HJT

Number of entries in BioLiP:

Chemical formula:

C4 H9 N O5 S

InChI:

InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1

InChIKey:

VBOQYPQEPHKASR-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(CS(=O)(=O)O)C(C(=O)O)N
CACTVS 3.385	N[CH](CC[S](O)(=O)=O)C(O)=O
OpenEye OEToolkits 2.0.6	C(CS(=O)(=O)O)[C@@H](C(=O)O)N
CACTVS 3.385	N[C@@H](CC[S](O)(=O)=O)C(O)=O

Name:

(2~{S})-2-azanyl-4-sulfo-butanoic acid

ChEMBL:

CHEMBL230951

ZINC:

ZINC000002567965

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).