Reaction Details Report a problem with these data
Target
Falcilysin
Ligand
BDBM50552272
Substrate
n/a
Meas. Tech.
ChEMBL_2034041 (CHEMBL4688199)
Ki
1400±n/a nM
Citation
 Kahlon, G; Lira, R; Masvlov, N; Pompa, E; Brar, N; Eagon, S; Anderson, MO; Andaya, A; Chance, JP; Fejzic, H; Keniston, A; Huynh, N; Celis, N; Vidal, B; Trieu, N; Rodriguez, P; Mallari, JP Structure guided development of potent piperazine-derived hydroxamic acid inhibitors targeting falcilysin. Bioorg Med Chem Lett 32:0 (2021) [PubMed]  Article 
Target
Name:
Falcilysin
Synonyms:
3.4.24.- | Falcilysin
Type:
PROTEIN
Mol. Mass.:
138868.64
Organism:
Plasmodium falciparum (isolate 3D7)
Description:
ChEMBL_118121
Residue:
1193
Sequence:
MNLTKLMKVIGYINIITNCVQSFTNRADKKRYNVFAKSFINTINTNLYTFKAVMSKTPEWIHEKSPKHNSYDIIEKRYNEEFKMTYTVYQHKKAKTQVISLGTNDPLDVEQAFAFYVKTLTHSGKGIPHILEHSVLSGSKNYNYKNSIGLLEKGTLHTHLNAYTFNDRTVYMAGSMNNKDFFNIMGVYMDSVFQPNVLENKYIFETEGWTYEVEKLKEDEKGKAEIPQMKDYKVSFNGIVYNEMKGALSSPLEDLYHEEMKYMFPDNVHSNNSGGDPKEITNLTYEEFKEFYYKNYNPKKVKVFFFSKNNPTELLNFVDQYLGQLDYSKYRDDAVESVEYQTYKKGPFYIKKKYGDHSEEKENLVSVAWLLNPKVDKTNNHNNNHSNNQSSENNGYSNGSHSSDLSLENPTDYFVLLIINNLLIHTPESVLYKALTDCGLGNNVIDRGLNDSLVQYIFSIGLKGIKRNNEKIKNFDKVHYEVEDVIMNALKKVVKEGFNKSAVEASINNIEFILKEANLKTSKSIDFVFEMTSKLNYNRDPLLIFEFEKYLNIVKNKIKNEPMYLEKFVEKHFINNAHRSVILLEGDENYAQEQENLEKQELKKRIENFNEQEKEQVIKNFEELSKYKNAEESPEHLNKFPIISISDLNKKTLEVPVNVYFTNINENNNIMETYNKLKTNEHMLKDNMDVFLKKYVLKNDKHNTNNNNNNNNNMDYSFTETKYEGNVPILVYEMPTTGIVYLQFVFSLDHLTVDELAYLNLFKTLILENKTNKRSSEDFVILREKNIGSMSANVALYSKDDHLNVTDKYNAQALFNLEMHVLSHKCNDALNIALEAVKESDFSNKKKVIDILKRKINGMKTTFSEKGYAILMKYVKAHLNSKHYAHNIIYGYENYLKLQEQLELAENDFKTLENILVRIRNKIFNKKNLMVSVTSDYGALKHLFVNSNESLKNLVSYFEENDKYINDMQNKVNDPTVMGWNEEIKSKKLFDEEKVKKEFFVLPTFVNSVSMSGILFKPGEYLDPSFTVIVAALKNSYLWDTVRGLNGAYGVFADIEYDGSVVFLSARDPNLEKTLATFRESAKGLRKMADTMTENDLLRYIINTIGTIDKPRRGIELSKLSFLRLISNESEQDRVEFRKRIMNTKKEDFYKFADLLESKVNEFEKNIVIITTKEKANEYIANVDGEFKKVLIE
  
Inhibitor
Name:
BDBM50552272
Synonyms:
CHEMBL4794156
Type:
Small organic molecule
Emp. Form.:
C24H24BrN3O5S2
Mol. Mass.:
578.498
SMILES:
CNC(=O)C1CN(CCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1)S(=O)(=O)c1cccc(Br)c1
Structure:
Search PDB for entries with ligand similarity: