BDBM21730 (2S,3R)-3-fluoro-2-methylhexadecanoyl-CoA, 6

SMILES CCCCCCCCCCCCC[C@@H](F)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12

InChI Key InChIKey=RWSHUYKIAIDBCL-HNBDAVQLSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21730   

TargetAlpha-methylacyl-CoA racemase(Rattus norvegicus (rat))
University of Liverpool

LigandPNGBDBM21730((2S,3R)-3-fluoro-2-methylhexadecanoyl-CoA, 6)
Affinity DataKi:  2.30E+3nM ΔG°:  -8.00kcal/molepH: 7.0 T: 2°CAssay Description:AMACR activity was determined by monitoring the interconversion of the (25R/S)-isomer of THC-CoA. Reaction product was analyzed by resolution of (25S...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed