Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCholinesterase
LigandBDBM50146868
Substrate/Competitorn/a
Meas. Tech.ChEMBL_41427 (CHEMBL654407)
IC50 1300±n/a nM
Citation Meier, CDucho, CGörbig, UEsnouf, RBalzarini, J Interaction of cycloSal-pronucleotides with cholinesterases from different origins. A structure-activity relationship. J Med Chem47:2839-52 (2004) [PubMed]  Article
More Info.:Get all data from this article,  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:
BDBM50146868
n/a
NameBDBM50146868
Synonyms:(R)-N*6*-Cyclopropyl-9-[(R)-4-(8-methyl-2-oxo-4H-2lambda*5*-benzo[1,3,2]dioxaphosphinin-2-yloxymethyl)-cyclopent-2-enyl]-9H-purine-2,6-diamine
TypeSmall organic molecule
Emp. Form.C22H25N6O4P
Mol. Mass.468.4455
SMILESCc1cccc2COP(=O)(OC[C@@H]3CC(C=C3)n3cnc4c(NC5CC5)nc(N)nc34)Oc12 |c:15|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: