Reaction Details |
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Target | Bifunctional purine biosynthesis protein ATIC |
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Ligand | BDBM50292288 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_430370 (CHEMBL914875) |
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IC50 | 231300±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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BDBM50292288 |
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n/a |
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Name | BDBM50292288 |
Synonyms: | CHEMBL451227 | NSC-7524 | Veratridine |
Type | Small organic molecule |
Emp. Form. | C36H51NO11 |
Mol. Mass. | 673.7902 |
SMILES | COc1ccc(cc1OC)C(=O)O[C@@H]1CCC2(C)C3CCC4[C@]5(O)C[C@H](O)[C@@]6(O)C(CN7C[C@@H](C)CCC7[C@@]6(C)O)[C@]5(O)C[C@]24O[C@]13O |r,TLB:12:13:18:44.45,13:46:21.19.20:16,22:21:16:46.45,43:44:18:15.14.13,47:46:21.19.20:16,17:16:21.19.20:46.45,THB:21:44:18:15.14.13| |
Structure |
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