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Target
Bifunctional purine biosynthesis protein ATIC
Ligand
BDBM50243441
Substrate
n/a
Meas. Tech.
ChEMBL_1672744 (CHEMBL4022773)
IC50
13±n/a nM
Citation
 Fales, KR; Njoroge, FG; Brooks, HB; Thibodeaux, S; Torrado, A; Si, C; Toth, JL; Mc Cowan, JR; Roth, KD; Thrasher, KJ; Frimpong, K; Lee, MR; Dally, RD; Shepherd, TA; Durham, TB; Margolis, BJ; Wu, Z; Wang, Y; Atwell, S; Wang, J; Hui, YH; Meier, TI; Konicek, SA; Geeganage, S Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Can J Med Chem 60:9599-9616 (2017) [PubMed]  Article 
Target
Name:
Bifunctional purine biosynthesis protein ATIC
Synonyms:
5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase | 5-aminoimidazole-4-carboxamide-ribonucleotide transformylase | AICAR Tfase | AICAR transformylase | ATIC | Aminoimidazole carboxamide ribonucleotide transformylase (AICAR Tfase) | Bifunctional purine biosynthesis protein PURH | IMP Cyclohydrolase (IMPCH) | IMP cyclohydrolase | IMP synthetase | Inosinicase | PUR9_HUMAN | PURH | Phosphoribosylaminoimidazolecarboxamide formyltransferase | Thymidylate synthase/GAR transformylase/AICAR transformylase
Type:
Protein
Mol. Mass.:
64616.62
Organism:
Homo sapiens (Human)
Description:
P31939
Residue:
592
Sequence:
MAPGQLALFSVSDKTGLVEFARNLTALGLNLVASGGTAKALRDAGLAVRDVSELTGFPEMLGGRVKTLHPAVHAGILARNIPEDNADMARLDFNLIRVVACNLYPFVKTVASPGVTVEEAVEQIDIGGVTLLRAAAKNHARVTVVCEPEDYVVVSTEMQSSESKDTSLETRRQLALKAFTHTAQYDEAISDYFRKQYSKGVSQMPLRYGMNPHQTPAQLYTLQPKLPITVLNGAPGFINLCDALNAWQLVKELKEALGIPAAASFKHVSPAGAAVGIPLSEDEAKVCMVYDLYKTLTPISAAYARARGADRMSSFGDFVALSDVCDVPTAKIISREVSDGIIAPGYEEEALTILSKKKNGNYCVLQMDQSYKPDENEVRTLFGLHLSQKRNNGVVDKSLFSNVVTKNKDLPESALRDLIVATIAVKYTQSNSVCYAKNGQVIGIGAGQQSRIHCTRLAGDKANYWWLRHHPQVLSMKFKTGVKRAEISNAIDQYVTGTIGEDEDLIKWKALFEEVPELLTEAEKKEWVEKLTEVSISSDAFFPFRDNVDRAKRSGVAYIAAPSGSAADKVVIEACDELGIILAHTNLRLFHH
  
Inhibitor
Name:
BDBM50243441
Synonyms:
CHEMBL4076500
Type:
Small organic molecule
Emp. Form.:
C18H18FN3O4S2
Mol. Mass.:
423.482
SMILES:
OC1CCN(CC1)c1ccc(s1)S(=O)(=O)Nc1cc2c(cc[nH]c2=O)cc1F
Structure:
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