BioLiP

PDB

BioLiP

PDB CCD ID:

9EX

Number of entries in BioLiP:

Chemical formula:

C4 H10 O S

InChI:

InChI=1S/C4H10OS/c1-4(2-5)3-6/h4-6H,2-3H2,1H3/t4-/m0/s1

InChIKey:

FCIVYWQHILCTLI-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH](CO)CS
OpenEye OEToolkits 2.0.6	CC(CO)CS
CACTVS 3.385 OpenEye OEToolkits 2.0.6	C[C@@H](CO)CS

Name:

(2S)-2-methyl-3-sulfanyl-propan-1-ol

ZINC:

ZINC000032167074

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).