BioLiP

PDB

BioLiP

PDB CCD ID:

A1BC0

Number of entries in BioLiP:

Chemical formula:

C5 H12 N2 O S

InChI:

InChI=1S/C5H12N2OS/c1-7(2)5(8)4(6)3-9/h4,9H,3,6H2,1-2H3/t4-/m0/s1

InChIKey:

QOOXVHYRBXEIIT-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CN(C)C(=O)[C@H](CS)N
OpenEye OEToolkits 3.1.0.0	CN(C)C(=O)C(CS)N
CACTVS 3.385	CN(C)C(=O)[CH](N)CS
CACTVS 3.385	CN(C)C(=O)[C@@H](N)CS
ACDLabs 14.52	CN(C)C(=O)C(N)CS

Name:

N,N-dimethyl-L-cysteinamide

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).