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BioLiP

PDB CCD ID: HGM
Number of entries in BioLiP: 0
Chemical formula: C9 H11 N O3
InChI: InChI=1S/C9H11NO3/c1-10-8(9(12)13)6-2-4-7(11)5-3-6/h2-5,8,10-11H,1H3,(H,12,13)/t8-/m1/s1
InChIKey: IGBFTIYLYPOJFU-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CN[C@H](c1ccc(cc1)O)C(=O)O
CACTVS 3.370CN[CH](C(O)=O)c1ccc(O)cc1
CACTVS 3.370CN[C@@H](C(O)=O)c1ccc(O)cc1
OpenEye OEToolkits 1.7.6CNC(c1ccc(cc1)O)C(=O)O
Name:(2R)-2-(4-hydroxyphenyl)-2-(methylamino)ethanoic acid
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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