BioLiP

PDB

BioLiP

PDB CCD ID:

A1AMX

Number of entries in BioLiP:

Chemical formula:

C8 H18 N2 O3 S

InChI:

InChI=1S/C8H18N2O3S/c1-4-8-7-10(5-6-13-8)14(11,12)9(2)3/h8H,4-7H2,1-3H3/t8-/m1/s1

InChIKey:

YVFXOSQSQHCMKO-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC[C@@H]1CN(CCO1)S(=O)(=O)N(C)C
ACDLabs 12.01	O=S(=O)(N1CC(CC)OCC1)N(C)C
CACTVS 3.385	CC[CH]1CN(CCO1)[S](=O)(=O)N(C)C
CACTVS 3.385	CC[C@@H]1CN(CCO1)[S](=O)(=O)N(C)C
OpenEye OEToolkits 2.0.7	CCC1CN(CCO1)S(=O)(=O)N(C)C

Name:

(2R)-2-ethyl-N,N-dimethylmorpholine-4-sulfonamide

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).