BioLiP

PDB

BioLiP

PDB CCD ID:

SC2

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O3 S

InChI:

InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1

InChIKey:

PWKSKIMOESPYIA-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(=O)NC(CS)C(=O)O
ACDLabs 12.01	O=C(NC(C(=O)O)CS)C
OpenEye OEToolkits 1.7.0	CC(=O)N[C@@H](CS)C(=O)O
CACTVS 3.370	CC(=O)N[C@@H](CS)C(O)=O
CACTVS 3.370	CC(=O)N[CH](CS)C(O)=O

Name:

N-ACETYL-L-CYSTEINE;
(2R)-2-acetamido-3-sulfanyl-propanoic acid

ChEMBL:

CHEMBL600

DrugBank:

DB06151

ZINC:

ZINC000003589203

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).