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TargetCholinesterase
LigandBDBM9017
Substrate/CompetitorBDBM8978
Meas. Tech.Cholinesterase Inhibition Assay
IC50 25±n/a nM
Citation Rodriguez-Franco, MIFernandez-Bachiller, MIPerez, CHernandez-Ledesma, BBartolome, B Novel tacrine-melatonin hybrids as dual-acting drugs for Alzheimer disease, with improved acetylcholinesterase inhibitory and antioxidant properties. J Med Chem49:459-62 (2006) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Cholinesterase
Name:Cholinesterase
Synonyms:Acylcholine acylhydrolase | BCHE | Butyrylcholine esterase (BChE) | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | CHE1 | CHLE_HUMAN | Choline esterase II | Cholinesterases | Cholinesterases; ACHE & BCHE | Pseudocholinesterase
Type:Homotetramer
Mol. Mass.:68422.27
Organism:Homo sapiens (Human)
Description:P06276
Residue:602
Sequence:
MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDC
LYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALG
FLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPG
SHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEI
LLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVY
GAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDV
VGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLER
RDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMT
KLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCV
GL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM9017
BDBM8978
NameBDBM9017
Synonyms:7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-heptanoic acid [2-(5-methoxy-1Hindol-3-yl)-ethyl]-amide | 7-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]heptanamide | Tacrine-Melatonin Hybrid 10b
TypeSmall organic molecule
Emp. Form.C31H36Cl2N4O2
Mol. Mass.567.549
SMILESCOc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: