Target
CTP synthase 2
Ligand
BDBM50609670
Substrate
n/a
Meas. Tech.
ChEMBL_2278984
IC50
35±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 2
Synonyms:
6.3.4.2 | CTP synthase 2 | CTP synthetase 2 | Ctps2 | UTP--ammonia ligase 2
Type:
PROTEIN
Mol. Mass.:
65671.26
Organism:
Rattus norvegicus
Description:
ChEMBL_120902
Residue:
586
Sequence:
MKYILVTGGVISGIGKGIIASSIGTILKSCGLRVTAIKIDPYINIDAGTFSPYEHGEVFVLNDGGEVDLDLGNYERFLDINLYKDNNITTGKIYQHVINKERRGDYLGKTVQVVPHITDAIQDWVMNQAKVSVDGNKEDPQICVIELGGTIGDIEGMAFVEAFRQFQFKAKRENFYNIHVSLVPQPSATGEQKTKPTQNSVRALRGLGLSPDLIVCRSSTPIEMAVKEKISMFCHVNPEQVICIHDVSSIYRVPLLLEEQGVVKYFQERLDLPINDCSNNLLFKWKTMADRYERLQKICSIALVGKYTKLRDCYASVFKALEHSALAINHKLNLMYIDSIDLEPVTKAEDPVKFHEAWQKLCLADGILVPGGFGIRGTLGKLQAISWARTKKIPFLGICLGMQLAVIEFARNCLNLKDANSTEFDPNTPVPLVIDMPEHNPGDLGGTMRLGLRRTVFTTENSILKKLYGDVPYIEERHRHRYEVNPNLINQFENKDLCFVGEDVDGKRMEIIELTGHPYFIGVQFHPEFSSRPMKPSPPYLGLLLAATGTLNTHLQQMSKLSYSDIYSDASDDSFSEAKFAELDIN
  
Inhibitor
Name:
BDBM50609670
Synonyms:
CHEMBL5277468
Type:
Small organic molecule
Emp. Form.:
C21H22N4O3S2
Mol. Mass.:
442.554
SMILES:
CC(C)(C(=O)Nc1ccc(cc1)-c1cccnc1)c1csc(NS(=O)(=O)C2CC2)n1
Structure:
Search PDB for entries with ligand similarity: