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Target
Trypanothione synthetase
Ligand
BDBM50152094
Substrate
n/a
Meas. Tech.
ChEMBL_1565118 (CHEMBL3782440)
IC50
93±n/a nM
Citation
 Yamasaki, K; Tani, O; Tateishi, Y; Tanabe, E; Namatame, I; Niimi, T; Furukawa, K; Sakashita, H An NMR Biochemical Assay for Fragment-Based Drug Discovery: Evaluation of an Inhibitor Activity on Spermidine Synthase of Trypanosoma cruzi. J Med Chem 59:2261-6 (2016) [PubMed]  Article 
Target
Name:
Trypanothione synthetase
Synonyms:
TRS | TRYS_TRYCC | TryS | Trypanothione synthetase (TryS)
Type:
Enzyme
Mol. Mass.:
73442.57
Organism:
Trypanosoma cruzi
Description:
Q9GT49
Residue:
647
Sequence:
MPTLQSLAVPFGCVQGYAPGGIPAYSNKHESYFSGERSIDGNLFCGFKYQCVEFARRWLFERKSLVLPDVDWAVHIFNLKEVSDARTGKPVRCVAIRNGTAAKPVVDSLLIYPSDDYSPVGHVAAITEVGDKWVRIADQNHRFHKWDANYAAELPLIHEKGVWTILDPLEDEVLKPLGWVTFPDTPDRNPNEPLVLHESLHFKRGELPTLRRLTFTPTSREKDWLDLTNEAEAYFADVCGIDVKNPKLEKASYYQMNRELYLDCAKYGNQLHQMFLEATKFVLGSDELLRLFCIPEEYWPRLRHSWETQPHAITGRFDFAFDEDTQQFKCFEYNADSASTLLECGVIQQKWARSVGLDDGTTYSSGSLVSSRLQLAWEMAEVTGRVHFLIDNDDEEHYTALYVMQHASAAGLETKLCVLFDEFHFDENGVVVDSDGVAVTTVWKTWMWETAIADHQKARVQRGNDWRPTPKDEVRLCDILLGPNWDLRVFEPMWKIIPSNKAILPIIYNKHPDHPALLRASYELTVELQRTGYVRKPIVGRVGRNVTVTEASGDIAAKSDGDFSDRDMVYQELFRLPERDGYYAILGGWVIGDVYCGTGVREDKTIITGLESPFSALRVYQGAQRRPLTHEDLDKAEAAAVGGGLKT
  
Inhibitor
Name:
BDBM50152094
Synonyms:
CHEMBL3780789
Type:
Small organic molecule
Emp. Form.:
C7H15N
Mol. Mass.:
113.2007
SMILES:
C[C@H]1CC[C@H](N)CC1 |r,wU:1.0,wD:4.4,(-2.4,1.39,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,)|
Structure:
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