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BioLiP

PDB CCD ID: SC2
Number of entries in BioLiP: 17
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:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(=O)NC(CS)C(=O)O
ACDLabs 12.01O=C(NC(C(=O)O)CS)C
OpenEye OEToolkits 1.7.0CC(=O)N[C@@H](CS)C(=O)O
CACTVS 3.370CC(=O)N[C@@H](CS)C(O)=O
CACTVS 3.370CC(=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, Peter L 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).

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