BioLiP

PDB

BioLiP

PDB CCD ID:

HV2

Number of entries in BioLiP:

Chemical formula:

C3 H6 O3 S

InChI:

InChI=1S/C3H6O3S/c4-3-1-7(5,6)2-3/h3-4H,1-2H2

InChIKey:

CIUZABLJPXPIFC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC1C[S](=O)(=O)C1
OpenEye OEToolkits 2.0.6	C1C(CS1(=O)=O)O

Name:

1,1-bis(oxidanylidene)thietan-3-ol

ZINC:

ZINC000001674463

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).