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BioLiP

PDB CCD ID: MTJ
Number of entries in BioLiP: 0
Chemical formula: C11 H15 N O3
InChI: InChI=1S/C11H15NO3/c1-12-10(11(13)14)7-8-3-5-9(15-2)6-4-8/h3-6,10,12H,7H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKey: QESMMBKGCOSBNL-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CN[CH](Cc1ccc(OC)cc1)C(O)=O
CACTVS 3.341CN[C@@H](Cc1ccc(OC)cc1)C(O)=O
ACDLabs 10.04O=C(O)C(NC)Cc1ccc(OC)cc1
OpenEye OEToolkits 1.5.0CNC(Cc1ccc(cc1)OC)C(=O)O
OpenEye OEToolkits 1.5.0CN[C@@H](Cc1ccc(cc1)OC)C(=O)O
Name:N,O-DIMETHYL-L-TYROSINE
ZINC: ZINC000002391141
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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