Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Cholinesterase
Ligand
BDBM50135157
Substrate
n/a
Meas. Tech.
ChEMBL_41266 (CHEMBL654391)
Ki
2580±n/a nM
Citation
Zaheer-Ul-Haq, ZU; Wellenzohn, B; Liedl, KR; Rode, BM Molecular docking studies of natural cholinesterase-inhibiting steroidal alkaloids from Sarcococca saligna. J Med Chem 46:5087-90 (2003) [PubMed] Article More Info.:
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:
BDBM50135157
Synonyms:
Acetic acid (1S,6R,7R,10R,11S,12S,15S,16S)-17-((S)-1-dimethylamino-ethyl)-10,13-dimethyl-3-(3-methyl-but-2-enoylamino)-hexadecahydro-cyclopenta[a]phenanthren-4-yl ester | CHEMBL146254
Type:
Small organic molecule
Emp. Form.:
C30H50N2O3
Mol. Mass.:
486.7296
SMILES:
[#6]-[#6@@H](-[#6@H]1-[#6]-[#6]-[#6@H]2-[#6@@H]-3-[#6]-[#6]-[#6@H]4-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#6]-[#6][C@]4([#6])[#6@H]-3-[#6]-[#6][C@]12[#6])-[#7]-[#6](=O)\[#6]=[#6](/[#6])-[#6])-[#7](-[#6])-[#6]
Structure:
