Reaction Details Report a problem with these data
Target
CTP synthase 1
Ligand
BDBM50609669
Substrate
n/a
Meas. Tech.
ChEMBL_2278964
IC50
383000±n/a nM
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 Chem 65:16640-16650 (2022) [PubMed] 
Target
Name:
CTP synthase 1
Synonyms:
6.3.4.2 | CTP synthase 1 | CTP synthetase 1 | CTPS1 | Synonyms=CTPS | UTP--ammonia ligase 1
Type:
PROTEIN
Mol. Mass.:
66688.58
Organism:
Homo sapiens
Description:
ChEMBL_120890
Residue:
591
Sequence:
MKYILVTGGVISGIGKGIIASSVGTILKSCGLHVTSIKIDPYINIDAGTFSPYEHGEVFVLDDGGEVDLDLGNYERFLDIRLTKDNNLTTGKIYQYVINKERKGDYLGKTVQVVPHITDAIQEWVMRQALIPVDEDGLEPQVCVIELGGTVGDIESMPFIEAFRQFQFKVKRENFCNIHVSLVPQPSSTGEQKTKPTQNSVRELRGLGLSPDLVVCRCSNPLDTSVKEKISMFCHVEPEQVICVHDVSSIYRVPLLLEEQGVVDYFLRRLDLPIERQPRKMLMKWKEMADRYDRLLETCSIALVGKYTKFSDSYASVIKALEHSALAINHKLEIKYIDSADLEPITSQEEPVRYHEAWQKLCSAHGVLVPGGFGVRGTEGKIQAIAWARNQKKPFLGVCLGMQLAVVEFSRNVLGWQDANSTEFDPTTSHPVVVDMPEHNPGQMGGTMRLGKRRTLFQTKNSVMRKLYGDADYLEERHRHRFEVNPVWKKCLEEQGLKFVGQDVEGERMEIVELEDHPFFVGVQYHPEFLSRPIKPSPPYFGLLLASVGRLSHYLQKGCRLSPRDTYSDRSGSSSPDSEITELKFPSINHD
  
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: