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BioLiP Library

PDB CCD ID: 9DT
Number of entries in BioLiP: 0
Chemical formula: C10 H12 F N O2
InChI: InChI=1S/C10H12FNO2/c1-10(12,9(13)14)6-7-4-2-3-5-8(7)11/h2-5H,6,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKey: MXECDVKIKUSSNC-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(Cc1ccccc1F)(C(=O)O)N
CACTVS 3.385C[C@](N)(Cc1ccccc1F)C(O)=O
OpenEye OEToolkits 2.0.6C[C@](Cc1ccccc1F)(C(=O)O)N
CACTVS 3.385C[C](N)(Cc1ccccc1F)C(O)=O
Name:(2~{S})-2-azanyl-3-(2-fluorophenyl)-2-methyl-propanoic acid
ZINC: ZINC000041207457
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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