Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCarboxylic ester hydrolase
LigandBDBM241981
Substrate/Competitorn/a
Meas. Tech.AChE and BuChE Activity Assay
pH8±n/a
Temperature275.15±n/a K
IC50 184±10.0 nM
Commentsextracted
Citation Skrzypek, AMatysiak, JKarpinska, MMNiewiadomy, A Synthesis and anticholinesterase activities of novel 1,3,4-thiadiazole based compounds. J Enzyme Inhib Med Chem28:816-23 (2013) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Carboxylic ester hydrolase
Name:Carboxylic ester hydrolase
Synonyms:BuChE | Butyrlcholinesterase (BuChE) | Butyrylcholine esterase | Butyrylcholinesterase | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | Butyrylcholinesterase (EqBuChE) | Carboxylic ester hydrolase | butyrylcholinesterase precursor
Type:Protein
Mol. Mass.:68842.83
Organism:Equus caballus (Horse)
Description:Q9N1N9
Residue:602
Sequence:
MQSWGTIICIRILLRFLLLWVLIGNSHTEEDIIITTKNGKVRGMNLPVLGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDC
LYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALG
FLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPR
SQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEI
LLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVY
GAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDV
VGDYNIICPALEFTKKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLER
RVNYTKAEEILSRSIMKRWANFAKYGNPNGTQSNSTRWPVFKSTEQKYLTLNTESPKVYT
KLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCS
DF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM241981
n/a
NameBDBM241981
Synonyms:4,4'-[5,5'-Methylenedi-(1,3,4-thiadiazole-2-yl)]di(benzene-1,3-diol) (5)
TypeSmall organic molecule
Emp. Form.C17H12N4O4S2
Mol. Mass.400.432
SMILESOc1ccc(-c2nnc(Cc3nnc(s3)-c3ccc(O)cc3O)s2)c(O)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: