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BioLiP

PDB CCD ID: 1ME
Number of entries in BioLiP: 0
Chemical formula: C5 H11 N O2 S
InChI: InChI=1S/C5H11NO2S/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4+/m0/s1
InChIKey: PWDYHRMBGRYCAP-IUYQGCFVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CS[CH](C)[CH](N)C(O)=O
OpenEye OEToolkits 2.0.7CC(C(C(=O)O)N)SC
CACTVS 3.385CS[C@@H](C)[C@@H](N)C(O)=O
OpenEye OEToolkits 2.0.7CC([C@H](C(=O)O)N)SC
Name:(2S)-2-AMINO-3-METHYLSULFANYL-BUTANOIC ACID
ZINC: ZINC000005273989
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)(download the PDF file).
  • 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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