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BioLiP

PDB CCD ID: 2R3
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N O4
InChI: InChI=1S/C10H13NO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m0/s1
InChIKey: YEMITEDRQMFNKS-DTWKUNHWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6COc1ccc(cc1)C(C(C(=O)O)N)O
OpenEye OEToolkits 1.7.6COc1ccc(cc1)[C@H]([C@@H](C(=O)O)N)O
CACTVS 3.385COc1ccc(cc1)[C@@H](O)[C@H](N)C(O)=O
CACTVS 3.385COc1ccc(cc1)[CH](O)[CH](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)C(O)c1ccc(OC)cc1
Name:(betaR)-beta-hydroxy-O-methyl-L-tyrosine
ZINC: ZINC000011887869
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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