Reaction Details Report a problem with these data
Target
Fumarate reductase
Ligand
BDBM50198744
Substrate
n/a
Meas. Tech.
ChEMBL_1620907 (CHEMBL3863190)
IC50
1350±n/a nM
Citation
Liu, WC; Wang, YY; Liu, JH; Ke, AB; Zheng, ZH; Lu, XH; Luan, YS; Xiu, ZL; Dong, 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
More Info.:
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:
BDBM50198744
Synonyms:
CHEMBL3922227
Type:
Small organic molecule
Emp. Form.:
C27H36O5
Mol. Mass.:
440.5717
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)(OC)C=C1C |r,c:32,TLB:13:11:3.2:9.7,4:3:11:9.7,8:7:3.2:11,THB:12:11:3.2:9.7|