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BioLiP

PDB CCD ID: V5F
Number of entries in BioLiP: 0
Chemical formula: C9 H11 N O3
InChI: InChI=1S/C9H11NO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,10H2,1H3,(H,11,12)/t6-/m1/s1
InChIKey: XHIKWHMMOQQMRR-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H](C(=O)O)Oc1ccccc1N
CACTVS 3.385C[CH](Oc1ccccc1N)C(O)=O
CACTVS 3.385C[C@@H](Oc1ccccc1N)C(O)=O
OpenEye OEToolkits 2.0.7CC(C(=O)O)Oc1ccccc1N
Name:(2R)-2-(2-azanylphenoxy)propanoic 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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