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BioLiP

PDB CCD ID: YRV
Number of entries in BioLiP: 0
Chemical formula: C11 H15 N O2 S
InChI: InChI=1S/C11H15NO2S/c1-8-3-2-4-9(5-8)6-15-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKey: ZQJYENZJJPWXJK-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cccc(CSC[C@H](N)C(O)=O)c1
ACDLabs 12.01O=C(O)C(N)CSCc1cccc(C)c1
OpenEye OEToolkits 2.0.7Cc1cccc(c1)CSCC(C(=O)O)N
OpenEye OEToolkits 2.0.7Cc1cccc(c1)CSC[C@@H](C(=O)O)N
CACTVS 3.385Cc1cccc(CSC[CH](N)C(O)=O)c1
Name:S-[(3-methylphenyl)methyl]-L-cysteine

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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