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Target
CTP synthase 2
Ligand
BDBM50609669
Substrate
n/a
Meas. Tech.
ChEMBL_2278981
IC50
710±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 2
Synonyms:
6.3.4.2 | CTP synthase 2 | CTP synthetase 2 | CTPS2 | UTP--ammonia ligase 2
Type:
PROTEIN
Mol. Mass.:
65680.33
Organism:
Human
Description:
ChEMBL_120891
Residue:
586
Sequence:
MKYILVTGGVISGIGKGIIASSIGTILKSCGLRVTAIKIDPYINIDAGTFSPYEHGEVFVLNDGGEVDLDLGNYERFLDINLYKDNNITTGKIYQHVINKERRGDYLGKTVQVVPHITDAVQEWVMNQAKVPVDGNKEEPQICVIELGGTIGDIEGMPFVEAFRQFQFKAKRENFCNIHVSLVPQLSATGEQKTKPTQNSVRALRGLGLSPDLIVCRSSTPIEMAVKEKISMFCHVNPEQVICIHDVSSTYRVPVLLEEQSIVKYFKERLHLPIGDSASNLLFKWRNMADRYERLQKICSIALVGKYTKLRDCYASVFKALEHSALAINHKLNLMYIDSIDLEKITETEDPVKFHEAWQKLCKADGILVPGGFGIRGTLGKLQAISWARTKKIPFLGVCLGMQLAVIEFARNCLNLKDADSTEFRPNAPVPLVIDMPEHNPGNLGGTMRLGIRRTVFKTENSILRKLYGDVPFIEERHRHRFEVNPNLIKQFEQNDLSFVGQDVDGDRMEIIELANHPYFVGVQFHPEFSSRPMKPSPPYLGLLLAATGNLNAYLQQGCKLSSSDRYSDASDDSFSEPRIAELEIS
  
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:
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