BioLiP

PDB

BioLiP

PDB CCD ID:

85F

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O4 S

InChI:

InChI=1S/C6H12N2O4S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1

InChIKey:

DWPCPZJAHOETAG-IMJSIDKUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C([C@@H](C(=O)O)N)SC[C@@H](C(=O)O)N
CACTVS 3.385	N[CH](CSC[CH](N)C(O)=O)C(O)=O
CACTVS 3.385	N[C@@H](CSC[C@H](N)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6	C(C(C(=O)O)N)SCC(C(=O)O)N

Name:

(2R)-2-azanyl-3-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid;
L-Lanthionine

ZINC:

ZINC000001730666

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).