Target
CTP synthase 1
Ligand
BDBM50609669
Substrate
n/a
Meas. Tech.
ChEMBL_2278988
IC50
440±n/a nM
Citation
 Novak, ALaughton, DLane, RBlackham, EThomas, JChatzopoulou, EWrigglesworth, JQuddus, AAhmed, SCousin, DDuffy, LDubois, NUnitt, JOrban, KBrowne, EWard, MMycock, DIeva, MBland, NGeorge, PBourne, TAsnagli, HBirch, LJones, 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 Chem 65:16640-16650 (2022) [PubMed] 
Target
Name:
CTP synthase 1
Synonyms:
6.3.4.2 | CTP synthase 1 | CTP synthetase 1 | Ctps | Ctps1 | UTP--ammonia ligase 1
Type:
PROTEIN
Mol. Mass.:
66682.19
Organism:
Mus musculus
Description:
ChEMBL_120967
Residue:
591
Sequence:
MKYILVTGGVISGIGKGVIASSVGTILKSCGLHVTSIKIDPYINIDAGTFSPYEHGEVFVLDDGGEVDLDLGNYERFLDIRLTKDNNLTTGKIYQYVINKERKGDYLGKTVQVVPHITDAIQEWVMRQALIPVDEDGLEPQVCVIELGGTVGDIESMPFIEAFRQFQFKVKRENFCNIHVSLVPQPSSTGEQKTKPTQNSVRELRGLGLSPDLVVCRCSNPLDTSVKEKISMFCHVEPEQVICVHDVSSIYRVPLLLEEQGVVDYFLRRLDLPIERQSRKMLMKWKEMADRYDRLLETCSIALVGKYTKFSDSYASVIKALEHSALAINHKLEIKYIDSTDLEPSTLQEEPVRYHEAWQKLCSAHGVLVPGGFGVRGTEGKIQAIAWARKQKKPFLGVCLGMQLAVVEFSRNVLGWQDANSTEFDPKTSHPVVIDMPEHNPGQMGGTMRLGKRRTLFQTKNSVMRKLYGDTDYLEERHRHRFEVNPVLKKCLEEQGLKFVGQDVEGERMEIVELEDHPFFVGVQYHPEFLSRPIKPSPPYFGLLLASVGRLPHYLQKGCRLSPRDTYSDRSGSSSPDSEITELKFPSISQD
  
Inhibitor
Name:
BDBM50609669
Synonyms:
CHEMBL5288393
Type:
Small organic molecule
Emp. Form.:
C19H25N3O4S2
Mol. Mass.:
423.549
SMILES:
CCCOc1ccc(NC(=O)C(C)(C)c2csc(NS(=O)(=O)C3CC3)n2)cc1
Structure:
Search PDB for entries with ligand similarity: