Reaction Details |
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Target | Bifunctional purine biosynthesis protein ATIC |
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Ligand | BDBM50158383 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_430370 (CHEMBL914875) |
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IC50 | 13900±n/a nM |
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Citation | Li, C; Xu, L; Wolan, DW; Wilson, IA; Olson, AJ Virtual screening of human 5-aminoimidazole-4-carboxamide ribonucleotide transformylase against the NCI diversity set by use of AutoDock to identify novel nonfolate inhibitors. J Med Chem47:6681-90 (2004) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Bifunctional purine biosynthesis protein ATIC |
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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: | MAPGQLALFSVSDKTGLVEFARNLTALGLNLVASGGTAKALRDAGLAVRDVSELTGFPEM
LGGRVKTLHPAVHAGILARNIPEDNADMARLDFNLIRVVACNLYPFVKTVASPGVTVEEA
VEQIDIGGVTLLRAAAKNHARVTVVCEPEDYVVVSTEMQSSESKDTSLETRRQLALKAFT
HTAQYDEAISDYFRKQYSKGVSQMPLRYGMNPHQTPAQLYTLQPKLPITVLNGAPGFINL
CDALNAWQLVKELKEALGIPAAASFKHVSPAGAAVGIPLSEDEAKVCMVYDLYKTLTPIS
AAYARARGADRMSSFGDFVALSDVCDVPTAKIISREVSDGIIAPGYEEEALTILSKKKNG
NYCVLQMDQSYKPDENEVRTLFGLHLSQKRNNGVVDKSLFSNVVTKNKDLPESALRDLIV
ATIAVKYTQSNSVCYAKNGQVIGIGAGQQSRIHCTRLAGDKANYWWLRHHPQVLSMKFKT
GVKRAEISNAIDQYVTGTIGEDEDLIKWKALFEEVPELLTEAEKKEWVEKLTEVSISSDA
FFPFRDNVDRAKRSGVAYIAAPSGSAADKVVIEACDELGIILAHTNLRLFHH
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BDBM50158383 |
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n/a |
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Name | BDBM50158383 |
Synonyms: | 2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl 4-bromobenzenesulfonate | 3,20-dioxopregn-4-en-21-yl 4-bromobenzenesulfonate | 4-Pregnen-21-ol-3,20-dione-21-(4-bromobenzenesufonate) | CHEMBL387152 | NSC-88915 |
Type | Small organic molecule |
Emp. Form. | C27H33BrO5S |
Mol. Mass. | 549.517 |
SMILES | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(Br)cc1 |r,t:8| |
Structure |
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