| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional purine biosynthesis protein ATIC |
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| Ligand | BDBM22584 |
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| Substrate/Competitor | BDBM22579 |
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| Meas. Tech. | AICAR Tfase Inhibition Assay |
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| pH | 7.5±n/a |
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| Temperature | 295.15±n/a K |
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| IC50 | 1400±300 nM |
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| Citation |  Xu, L; Li, C; Olson, AJ; Wilson, IA Crystal structure of avian aminoimidazole-4-carboxamide ribonucleotide transformylase in complex with a novel non-folate inhibitor identified by virtual ligand screening. J Biol Chem279:50555-65 (2004) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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| Bifunctional purine biosynthesis protein ATIC |
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| Name: | Bifunctional purine biosynthesis protein ATIC |
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| 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 |
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| Type: | Protein |
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| Mol. Mass.: | 64616.62 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P31939 |
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| Residue: | 592 |
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| Sequence: | MAPGQLALFSVSDKTGLVEFARNLTALGLNLVASGGTAKALRDAGLAVRDVSELTGFPEM
LGGRVKTLHPAVHAGILARNIPEDNADMARLDFNLIRVVACNLYPFVKTVASPGVTVEEA
VEQIDIGGVTLLRAAAKNHARVTVVCEPEDYVVVSTEMQSSESKDTSLETRRQLALKAFT
HTAQYDEAISDYFRKQYSKGVSQMPLRYGMNPHQTPAQLYTLQPKLPITVLNGAPGFINL
CDALNAWQLVKELKEALGIPAAASFKHVSPAGAAVGIPLSEDEAKVCMVYDLYKTLTPIS
AAYARARGADRMSSFGDFVALSDVCDVPTAKIISREVSDGIIAPGYEEEALTILSKKKNG
NYCVLQMDQSYKPDENEVRTLFGLHLSQKRNNGVVDKSLFSNVVTKNKDLPESALRDLIV
ATIAVKYTQSNSVCYAKNGQVIGIGAGQQSRIHCTRLAGDKANYWWLRHHPQVLSMKFKT
GVKRAEISNAIDQYVTGTIGEDEDLIKWKALFEEVPELLTEAEKKEWVEKLTEVSISSDA
FFPFRDNVDRAKRSGVAYIAAPSGSAADKVVIEACDELGIILAHTNLRLFHH
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| BDBM22584 |
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| BDBM22579 |
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| Name | BDBM22584 |
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| Synonyms: | 5-bromo-2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thiophen-2-yl]-1H-indol-3-yl hydrogen sulfate | SALOR2 | {4-[5-bromo-3-(sulfooxy)-1H-indol-2-yl]-13-chloro-3-thiatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),4,7,10,12-hexaen-5-yl}oxidanesulfonic acid |
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| Type | Small organic molecule |
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| Emp. Form. | C20H11BrClNO8S3 |
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| Mol. Mass. | 604.855 |
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| SMILES | OS(=O)(=O)Oc1c([nH]c2ccc(Br)cc12)-c1sc2c(ccc3cccc(Cl)c23)c1OS(O)(=O)=O |
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| Structure | 
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