BioLiP

PDB

BioLiP

PDB CCD ID:

VZP

Number of entries in BioLiP:

Chemical formula:

C9 H18 N2 O3 S

InChI:

InChI=1S/C9H18N2O3S/c1-7(2)10-9(12)11(3)8-4-5-15(13,14)6-8/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1

InChIKey:

RMWFRPZNASSVCZ-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)NC(=O)N(C)C1CCS(=O)(=O)C1
CACTVS 3.385	CC(C)NC(=O)N(C)[C@@H]1CC[S](=O)(=O)C1
ACDLabs 12.01	N(C1CCS(C1)(=O)=O)(C(=O)NC(C)C)C
CACTVS 3.385	CC(C)NC(=O)N(C)[CH]1CC[S](=O)(=O)C1
OpenEye OEToolkits 2.0.7	CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1

Name:

N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea

ZINC:

ZINC000042838879

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).