BioLiP

PDB

BioLiP

PDB CCD ID:

LK6

Number of entries in BioLiP:

Chemical formula:

C9 H15 N O3 S

InChI:

InChI=1S/C9H15NO3S/c1-9(4-5-14(12,13)6-9)10-8(11)7-2-3-7/h7H,2-6H2,1H3,(H,10,11)/t9-/m1/s1

InChIKey:

LMUYJJAKMZKBHS-SECBINFHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@]1(CC[S](=O)(=O)C1)NC(=O)C2CC2
ACDLabs 12.01	O=S1(=O)CCC(C)(NC(=O)C2CC2)C1
OpenEye OEToolkits 2.0.7	C[C@]1(CCS(=O)(=O)C1)NC(=O)C2CC2
OpenEye OEToolkits 2.0.7	CC1(CCS(=O)(=O)C1)NC(=O)C2CC2
CACTVS 3.385	C[C]1(CC[S](=O)(=O)C1)NC(=O)C2CC2

Name:

N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide

ZINC:

ZINC000042370299

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).