| Reaction Details |
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 | Report a problem with these data |
| Target | CTP synthase 1 |
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| Ligand | BDBM50609674 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2278988 |
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| IC50 | 26±n/a nM |
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| Citation |  Novak, A; Laughton, D; Lane, R; Blackham, E; Thomas, J; Chatzopoulou, E; Wrigglesworth, J; Quddus, A; Ahmed, S; Cousin, D; Duffy, L; Dubois, N; Unitt, J; Orban, K; Browne, E; Ward, M; Mycock, D; Ieva, M; Bland, N; George, P; Bourne, T; Asnagli, H; Birch, L; Jones, G Discovery and Optimization of Potent and Orally Available CTP Synthetase Inhibitors for Use in Treatment of Diseases Driven by Aberrant Immune Cell Proliferation. J Med Chem65:16640-16650 (2022) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| CTP synthase 1 |
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| Name: | CTP synthase 1 |
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| Synonyms: | 6.3.4.2 | CTP synthase 1 | CTP synthetase 1 | Ctps | Ctps1 | UTP--ammonia ligase 1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 66682.19 |
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| Organism: | Mus musculus |
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| Description: | ChEMBL_120967 |
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| Residue: | 591 |
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| Sequence: | MKYILVTGGVISGIGKGVIASSVGTILKSCGLHVTSIKIDPYINIDAGTFSPYEHGEVFV
LDDGGEVDLDLGNYERFLDIRLTKDNNLTTGKIYQYVINKERKGDYLGKTVQVVPHITDA
IQEWVMRQALIPVDEDGLEPQVCVIELGGTVGDIESMPFIEAFRQFQFKVKRENFCNIHV
SLVPQPSSTGEQKTKPTQNSVRELRGLGLSPDLVVCRCSNPLDTSVKEKISMFCHVEPEQ
VICVHDVSSIYRVPLLLEEQGVVDYFLRRLDLPIERQSRKMLMKWKEMADRYDRLLETCS
IALVGKYTKFSDSYASVIKALEHSALAINHKLEIKYIDSTDLEPSTLQEEPVRYHEAWQK
LCSAHGVLVPGGFGVRGTEGKIQAIAWARKQKKPFLGVCLGMQLAVVEFSRNVLGWQDAN
STEFDPKTSHPVVIDMPEHNPGQMGGTMRLGKRRTLFQTKNSVMRKLYGDTDYLEERHRH
RFEVNPVLKKCLEEQGLKFVGQDVEGERMEIVELEDHPFFVGVQYHPEFLSRPIKPSPPY
FGLLLASVGRLPHYLQKGCRLSPRDTYSDRSGSSSPDSEITELKFPSISQD
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| BDBM50609674 |
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| n/a |
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| Name | BDBM50609674 |
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| Synonyms: | CHEMBL5283284 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H19F3N6O3S2 |
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| Mol. Mass. | 512.528 |
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| SMILES | CC(C)(C(=O)Nc1ccc(cn1)-c1cncc(n1)C(F)(F)F)c1csc(NS(=O)(=O)C2CC2)n1 |
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| Structure | 
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