Target
Cholinesterase
Ligand
BDBM50308401
Substrate
n/a
Meas. Tech.
ChEMBL_613957 (CHEMBL1068997)
Ki
350±n/a nM
Citation
 Darvesh, SPottie, IRDarvesh, KVMcDonald, RSWalsh, RConrad, SPenwell, AMataija, DMartin, E Differential binding of phenothiazine urea derivatives to wild-type human cholinesterases and butyrylcholinesterase mutants. Bioorg Med Chem 18:2232-44 (2010) [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:
BDBM50308401
Synonyms:
CHEMBL591468 | N-(Adamant-1-yl)-1'H-phenothiazine-1'-carboxamide
Type:
Small organic molecule
Emp. Form.:
C23H24N2OS
Mol. Mass.:
376.514
SMILES:
O=C(NC12CC3CC(CC(C3)C1)C2)N1c2ccccc2Sc2ccccc12 |TLB:6:7:4.5.10:11,THB:6:5:11:12.7.8,8:7:4:10.9.11,8:9:4:12.6.7|
Structure:
Search PDB for entries with ligand similarity: