BioLiP

PDB

BioLiP

PDB CCD ID:

A1B03

Number of entries in BioLiP:

Chemical formula:

C8 H14 N2 O3 S

InChI:

InChI=1S/C8H14N2O3S/c1-2-14(12,13)10-5-3-4-7(6-10)8(9)11/h2,7H,1,3-6H2,(H2,9,11)/t7-/m0/s1

InChIKey:

FSNFOMGLDYESSZ-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	C=CS(=O)(=O)N1CCCC(C1)C(=O)N
CACTVS 3.385	NC(=O)[C@H]1CCCN(C1)[S](=O)(=O)C=C
ACDLabs 14.52	O=S(=O)(C=C)N1CCCC(C1)C(N)=O
OpenEye OEToolkits 3.1.0.0	C=CS(=O)(=O)N1CCC[C@@H](C1)C(=O)N
CACTVS 3.385	NC(=O)[CH]1CCCN(C1)[S](=O)(=O)C=C

Name:

(3S)-1-(ethenesulfonyl)piperidine-3-carboxamide

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).