Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50422514
Substrate
n/a
Meas. Tech.
ChEMBL_41427 (CHEMBL654407)
IC50
>50000±n/a nM
Citation
 Meier, C; Ducho, C; Görbig, U; Esnouf, R; Balzarini, J Interaction of cycloSal-pronucleotides with cholinesterases from different origins. A structure-activity relationship. J Med Chem 47:2839-52 (2004) [PubMed]  Article 
Target
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:
MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCVGL
  
Inhibitor
Name:
BDBM50422514
Synonyms:
CHEMBL2111586
Type:
Small organic molecule
Emp. Form.:
C17H18FN2O8P
Mol. Mass.:
428.3056
SMILES:
Cc1cccc2CO[P@](=O)(OC[C@H]3O[C@H](C[C@@H]3O)n3cc(F)c(=O)[nH]c3=O)Oc12 |r|
Structure:
Search PDB for entries with ligand similarity: