| Reaction Details |
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 | Report a problem with these data |
| Target | CTP synthase 1 |
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| Ligand | BDBM50609673 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2278964 |
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| IC50 | <50000±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 | CTPS1 | Synonyms=CTPS | UTP--ammonia ligase 1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 66688.58 |
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| Organism: | Homo sapiens |
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| Description: | ChEMBL_120890 |
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| Residue: | 591 |
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| Sequence: | MKYILVTGGVISGIGKGIIASSVGTILKSCGLHVTSIKIDPYINIDAGTFSPYEHGEVFV
LDDGGEVDLDLGNYERFLDIRLTKDNNLTTGKIYQYVINKERKGDYLGKTVQVVPHITDA
IQEWVMRQALIPVDEDGLEPQVCVIELGGTVGDIESMPFIEAFRQFQFKVKRENFCNIHV
SLVPQPSSTGEQKTKPTQNSVRELRGLGLSPDLVVCRCSNPLDTSVKEKISMFCHVEPEQ
VICVHDVSSIYRVPLLLEEQGVVDYFLRRLDLPIERQPRKMLMKWKEMADRYDRLLETCS
IALVGKYTKFSDSYASVIKALEHSALAINHKLEIKYIDSADLEPITSQEEPVRYHEAWQK
LCSAHGVLVPGGFGVRGTEGKIQAIAWARNQKKPFLGVCLGMQLAVVEFSRNVLGWQDAN
STEFDPTTSHPVVVDMPEHNPGQMGGTMRLGKRRTLFQTKNSVMRKLYGDADYLEERHRH
RFEVNPVWKKCLEEQGLKFVGQDVEGERMEIVELEDHPFFVGVQYHPEFLSRPIKPSPPY
FGLLLASVGRLSHYLQKGCRLSPRDTYSDRSGSSSPDSEITELKFPSINHD
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| BDBM50609673 |
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| n/a |
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| Name | BDBM50609673 |
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| Synonyms: | CHEMBL5267968 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H19F4N5O3S2 |
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| Mol. Mass. | 529.531 |
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| SMILES | CC(C)(C(=O)Nc1ccc(cc1F)-c1cncc(n1)C(F)(F)F)c1csc(NS(=O)(=O)C2CC2)n1 |
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| Structure | 
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