| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional purine biosynthesis protein ATIC |
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| Ligand | BDBM50158382 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_430370 (CHEMBL914875) |
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| IC50 | 9600±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 |
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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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| BDBM50158382 |
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| n/a |
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| Name | BDBM50158382 |
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| Synonyms: | CHEMBL376528 | N'-((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-1,7,8,10,11,12,13,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-3(6H,9H,14H)-ylidene)-4-methylbenzenesulfonohydrazide | NSC-126445 |
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| Type | Small organic molecule |
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| Emp. Form. | C34H52N2O2S |
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| Mol. Mass. | 552.854 |
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| SMILES | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3CC[C@]12C)=NNS(=O)(=O)c1ccc(C)cc1 |r,w:27.31,t:15| |
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| Structure | 
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