BioLiP

PDB

BioLiP

PDB CCD ID:

MV6

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O S2

InChI:

InChI=1S/C5H11NOS2/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

InChIKey:

IXNUCNJMRZVHDV-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CSCC[CH](N)C(O)=S
OpenEye OEToolkits 2.0.7	CSCCC(C(=S)O)N
OpenEye OEToolkits 2.0.7	CSCC[C@@H](C(=S)O)N
CACTVS 3.385	CSCC[C@H](N)C(O)=S
ACDLabs 12.01	OC(=S)C(N)CCSC

Name:

(2S)-2-amino-4-(methylsulfanyl)butanethioic O-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).