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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: RJ7
Number of entries in BioLiP: 2
Chemical formula: C10 H12 F N O3
InChI: InChI=1S/C10H12FNO3/c1-2-15-10(14)8(11)9(13)7-4-3-5-12-6-7/h3-6,8-9,13H,2H2,1H3/t8-,9-/m0/s1
InChIKey: WQTYAHVCEJEKSU-IUCAKERBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCOC(=O)C(C(c1cccnc1)O)F
CACTVS 3.385CCOC(=O)[C@@H](F)[C@@H](O)c1cccnc1
CACTVS 3.385CCOC(=O)[CH](F)[CH](O)c1cccnc1
ACDLabs 12.01c1(cnccc1)C(C(C(OCC)=O)F)O
OpenEye OEToolkits 2.0.6CCOC(=O)[C@H]([C@H](c1cccnc1)O)F
Name:ethyl (2S,3S)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate

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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