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Target
Bifunctional purine biosynthesis protein ATIC
Ligand
BDBM50005520
Substrate
n/a
Meas. Tech.
ChEMBL_28423 (CHEMBL642466)
IC50
700±n/a nM
Citation
 Kelley, JL; McLean, EW; Cohn, NK; Edelstein, MP; Duch, DS; Smith, GK; Hanlon, MH; Ferone, R Synthesis and biological activity of an acyclic analogue of 5,6,7,8-tetrahydrofolic acid, N-[4-[[3-(2,4-diamino-1,6-dihydro-6-oxo-5- pyrimidinyl)propyl]amino]-benzoyl]-L-glutamic acid. J Med Chem 33:561-7 (1990) [PubMed]  Article 
Target
Name:
Bifunctional purine biosynthesis protein ATIC
Synonyms:
AICAR transformylase | Atic | PUR9_MOUSE | Purh
Type:
PROTEIN
Mol. Mass.:
64218.64
Organism:
Mus musculus
Description:
ChEMBL_28425
Residue:
592
Sequence:
MAPSQLALFSVSDKTGLVEFARSLASLGLSLVASGGTAKAIRDAGLAVRDVSELTGFPEMLGGRVKTLHPAVHAGILARNIPEDAADMARLDFNLVRVVVCNLYPFVKTVASPDVTVEAAVEQIDIGGVTLLRAAAKNHARVTVVCEPEDYAGVAAEMHGSDSKDTSLETRRHLALKAFTHTAQYDEAISDYFRKQYSKGISQMPLRYGMNPHQTPAQLYTLKPKLPITVLNGAPGFINLCDALNAWQLVTELRGAVDIPAAASFKHVSPAGAAVGVPLSEDEARVCMVYDLYPTLTPLAVAYARARGADRMSSFGDFVALSDICDVPTAKIISREVSDGIVAPGYEEEALKILSKKKNGNYCVLQMDQSYKPDENEVRTLFGLRLSQKRNNGVVDKSLFSNIVTKNKDLPESALRDLIVATVAVKYTQSNSVCYAKDGQVIGIGAGQQSRIHCTRLAGDKANSWWLRHHPRVLSMKFKAGVKRAEISNAIDQYVTGTIGEGEDLVKWEALFEEVPELLTEAEKKEWVDKLSGVSVSSDAFFPFRDNVDRAKRSGVAYIVAPSGSTADKVVIEACDELGIVLAHTDLRLFHH
  
Inhibitor
Name:
BDBM50005520
Synonyms:
(S)-2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-propylamino]-benzoylamino}-pentanedioic acid | 2-{4-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-5-yl)-propylamino]-benzoylamino}-pentanedioic acid | CHEMBL13659
Type:
Small organic molecule
Emp. Form.:
C19H24N6O6
Mol. Mass.:
432.4305
SMILES:
Nc1nc(N)c(CCCNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(=O)[nH]1
Structure:
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