Target
Fumarate reductase
Ligand
BDBM50198750
Substrate
n/a
Meas. Tech.
ChEMBL_1620907 (CHEMBL3863190)
IC50
850±n/a nM
Citation
 Liu, WCWang, YYLiu, JHKe, ABZheng, ZHLu, XHLuan, YSXiu, ZLDong, YS Wortmannilactones I-L, new NADH-fumarate reductase inhibitors, induced by adding suberoylanilide hydroxamic acid to the culture medium of Talaromyces wortmannii. Bioorg Med Chem Lett 26:5328-5333 (2016) [PubMed]  Article 
Target
Name:
Fumarate reductase
Synonyms:
Fumarate reductase
Type:
PROTEIN
Mol. Mass.:
58358.37
Organism:
Ascaris suum
Description:
ChEMBL_116953
Residue:
544
Sequence:
MLAVAPRMLVTYSLLLLSGMIEGAHSKEPIGGTLNGSRRRSEGEHLQYPAADEPVIVVGGGLAGLSAALEAVHEGASVILIEAEKNVGGNSAKASSGMAACNTEAQRVHHINDSTDRFYSDTMTAGDRENDPILVDQLVHQSADAFSFLVSHGADLSDVVLAGGHSVKRVHRNTPVKEGRAVNVGYAIISAVRDQLNRHAEQDPDKVKIMLGTEVIGLVTWNDFVTGVRVRKGDSRIEEISGKAVVLATGGFSNDRNVQGSLLAEFAPEKLKFPTTNGPWASGRGVKMARAMGAALVGMSDVQVHPTAFVDPKDPNATTKFLAAEALRGKGAILLNEKGERFGNELGRRDYLTDRILTSCAEDSQAGGAHTALMLMTDQSADDFGRASFGFYANVKGFFKKFNNVAELANYMNVDEAKLRKTLTDYNKYVTSTEENKKDEFGKVFFPASFNPDAVIYAAKITPAIHYTMGGLKIDKQAFVFNEFAQKPFRGLLAAGEVTGGVHGRNRLAGNSLLECVVYGRIAGKNAARIKYTDADAAIGRSDL
  
Inhibitor
Name:
BDBM50198750
Synonyms:
CHEMBL3931781
Type:
Small organic molecule
Emp. Form.:
C26H34O5
Mol. Mass.:
426.5452
SMILES:
[H][C@]12OC(=O)[C@](C)(C(=O)[C@@H]1C)[C@]2(C)\C=C\C=C\C=C\C=C(/C)[C@@H]1O[C@@H](C)C(C)=C[C@]1(C)O |r,c:29,TLB:13:11:3.2:9.7,4:3:11:9.7,8:7:3.2:11,THB:10:9:3.2:11,12:11:3.2:9.7|
Structure:
Search PDB for entries with ligand similarity: