Ki Summary

Reaction Details

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Target

Acetylcholinesterase

Ligand

BDBM8974

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_552460 (CHEMBL1002720)

9.10±n/a nM

Citation

Butini, S; Campiani, G; Borriello, M; Gemma, S; Panico, A; Persico, M; Catalanotti, B; Ros, S; Brindisi, M; Agnusdei, M; Fiorini, I; Nacci, V; Novellino, E; Belinskaya, T; Saxena, A; Fattorusso, C Exploiting protein fluctuations at the active-site gorge of human cholinesterases: further optimization of the design strategy to develop extremely potent inhibitors. J Med Chem51:3154-70 (2008) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Acetylcholinesterase

Name:

Acetylcholinesterase

Synonyms:

ACES_BOVIN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor

Type:

Enzyme

Mol. Mass.:

67659.62

Organism:

Bos taurus (bovine)

Description:

n/a

Residue:

613

Sequence:

MRPPWCPLHTPSLTPPLLLLLFLIGGGAEAEGPEDPELLVMVRGGRLRGLRLMAPRGPVS
AFLGIPFAEPPVGPRRFLPPEPKRPWPGVLNATAFQSVCYQYVDTLYPGFEGTEMWNPNR
ELSEDCLYLNVWTPYPRPSSPTPVLVWIYGGGFYSGASSLDVYDGRFLTQAEGTVLVSMN
YRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVG
MHLLSPPSRGLFHRAVLQSGAPNGPWATVGVGEARRRATLLARLVGCPPGGAGGNDTELV
ACLRARPAQDLVDHEWRVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGV
VKDEGSYFLVYGAPGFSKDNESLISRAQFLAGVRVGVPQASDLAAEAVVLHYTDWLHPED
PARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLSWPLWMGVPHGYE
IEFIFGLPLEPSLNYTIEERTFAQRLMRYWANFARTGDPNDPRDPKAPQWPPYTAGAQQY
VSLNLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQ
FDHYSKQDRCSDL

BDBM8974

n/a

Name

BDBM8974

Synonyms:

CHEMBL367067 | N-Methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)propyl]-1,3-propanediamine | Tacrine Dimer 4j | methyl[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl][3-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)propyl]amine

Type

Small organic molecule

Emp. Form.

C33H40N4S

Mol. Mass.

524.763

SMILES

CN(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12

Structure