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BioLiP Library

PDB CCD ID: A1ADZ
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N O3
InChI: InChI=1S/C10H13NO3/c1-14-9-5-3-2-4-7(9)6-8(11)10(12)13/h2-5,8H,6,11H2,1H3,(H,12,13)/t8-/m0/s1
InChIKey: SEUPQWHWULSGJC-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccccc1C[C@H](N)C(O)=O
ACDLabs 12.01COc1ccccc1CC(N)C(=O)O
CACTVS 3.385COc1ccccc1C[CH](N)C(O)=O
OpenEye OEToolkits 2.0.7COc1ccccc1CC(C(=O)O)N
OpenEye OEToolkits 2.0.7COc1ccccc1C[C@@H](C(=O)O)N
Name:(2S)-2-amino-3-(2-methoxyphenyl)propan-1-ol
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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