Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50100134
Substrate
n/a
Meas. Tech.
Assay of Substrate Hydrolysis
pH
7±n/a
Temperature
298.15±n/a K
Ki
1000±0.0 nM
Comments
P-site specific extracted
Citation
 Beri, V; Wildman, SA; Shiomi, K; Al-Rashid, ZF; Cheung, J; Rosenberry, TL The natural product dihydrotanshinone I provides a prototype for uncharged inhibitors that bind specifically to the acetylcholinesterase peripheral site with nanomolar affinity. Biochemistry 52:7486-99 (2013) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50100134
Synonyms:
2-(4-Dimethylamino-phenyl)-3,6-dimethyl-benzothiazol-3-ium | 2-(4-Dimethylamino-phenyl)-3,6-dimethyl-benzothiazol-3-ium(thioflavin T) | 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium | CHEMBL224392 | CHEMBL57267 | Thioflavin T | Thioflavin T, 1 | [4-(3,6-dimethyl-benzothiazol-2-yl)-phenyl]-dimethyl-amine | cid_16954
Type:
Small organic molecule
Emp. Form.:
C17H19N2S
Mol. Mass.:
283.411
SMILES:
CN(C)c1ccc(cc1)-c1sc2cc(C)ccc2[n+]1C
Structure:
Search PDB for entries with ligand similarity: