BioLiP

PDB

BioLiP

PDB CCD ID:

MS6

Number of entries in BioLiP:

Chemical formula:

C5 H13 N S2

InChI:

InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1

InChIKey:

NSPBTQHSHXESOT-YFKPBYRVSA-N

SMILES:

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

Name:

(2S)-2-amino-4-(methylsulfanyl)butane-1-thiol

ChEMBL:

CHEMBL36661

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).