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BioLiP

PDB CCD ID: TYS
Number of entries in BioLiP: 2
Chemical formula: C9 H11 N O6 S
InChI: InChI=1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1
InChIKey: CIQHWLTYGMYQQR-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[CH](Cc1ccc(O[S](O)(=O)=O)cc1)C(O)=O
OpenEye OEToolkits 1.7.6c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O
OpenEye OEToolkits 1.7.6c1cc(ccc1CC(C(=O)O)N)OS(=O)(=O)O
CACTVS 3.370N[C@@H](Cc1ccc(O[S](O)(=O)=O)cc1)C(O)=O
ACDLabs 12.01O=C(O)C(N)Cc1ccc(OS(=O)(=O)O)cc1
Name:O-SULFO-L-TYROSINE
ChEMBL: CHEMBL1236077
ZINC: ZINC000002556660
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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