Reaction Details Report a problem with these data
Target
Trypanothione synthetase
Ligand
BDBM92592
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
8±0
Temperature
298.15±0 K
IC50
95±n/a nM
Citation
 Torrie, LS; Wyllie, S; Spinks, D; Oza, SL; Thompson, S; Harrison, JR; Gilbert, IH; Wyatt, PG; Fairlamb, AH; Frearson, JA Chemical validation of trypanothione synthetase: a potential drug target for human trypanosomiasis. J Biol Chem 284:36137-45 (2009) [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:
BDBM92592
Synonyms:
DDD85811
Type:
Small organic molecule
Emp. Form.:
C19H19FN2O
Mol. Mass.:
310.3654
SMILES:
CC(C)(C)C(=O)Cn1nc(-c2cccc(F)c2)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: