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Target
Carboxylic ester hydrolase
Ligand
BDBM50308520
Substrate
n/a
Meas. Tech.
ChEMBL_1539616 (CHEMBL3738688)
IC50
0.760±n/a nM
Citation
 Martin, BP; Vasilieva, E; Dupureur, CM; Spilling, CD Synthesis and comparison of the biological activity of monocyclic phosphonate, difluorophosphonate and phosphate analogs of the natural AChE inhibitor cyclophostin. Bioorg Med Chem 23:7529-34 (2015) [PubMed]  Article 
Target
Name:
Carboxylic ester hydrolase
Synonyms:
Acetylcholinesterase | Ache
Type:
PROTEIN
Mol. Mass.:
76704.18
Organism:
Musca domestica
Description:
ChEMBL_105533
Residue:
692
Sequence:
MARSVRTPISPSSSSSSRSSWSSPSSSSFYSLLSSFKASLTRPSSSSSVAHHLAARNNDICRGLFATLVILLRMSALTSAMTDHLTVQTTSGPVRGRSVTVQGRDVHVFTGIPYAKPPVDDLRFRKPVPAEPWHGVLDATRLPATCVQERYEYFPGFSGEEMWNPNTNVSEDCLFMNIWAPAKARLRHGRGTNGGEHSSKTDQDHLIHSATPQNTTNGLPILIWIYGGGFMTGSATLDIYNAEIMSAVGNVIVASFQYRVGAFGFLHLSPVMPGFEEEAPGNVGLWDQALALRWLKENARAFGGNPEWMTLFGGSSGSSSVNAQLMSPVTRGLVKRGMMQSATMNAPWSHMTSEKAVEIGKALVNDCNCNASLLPENPQAVMACMRQVDAKTISVQQWNSYSGILSYPSAPTIDGAFLPADPMTLLKTADLSGYDILIGNVKDEGAYFLLYDFIDYFDKDDATSLPRDKYLEIMNNIFQKASQAEREAIIFQYTSWEGNPGYQNQQQIGRAVGDHFFTCPTNEYAQALAERGASVHYYYFTHRTSTSLWGEWMGVLHGDEIEYFFGQPLNNSLQYRPVERELGKRMLNSVIEFAKSGNPAVDGEEWPNFSKEDPVYYVFSTDEKIEKLQRGPLAKRCSFWNDYLPKVRSWIGSECENKSSTSASATIYEMKMQQLTLLAVAIILTMVNSIFQ
  
Inhibitor
Name:
BDBM50308520
Synonyms:
CHEMBL603622 | cyclophostin
Type:
Small organic molecule
Emp. Form.:
C8H11O6P
Mol. Mass.:
234.1431
SMILES:
CO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1 |r,t:12|
Structure:
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