Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM240806 |
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Substrate/Competitor | n/a |
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Meas. Tech. | In Vitro AChE and BuChE Inhibition Assays |
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pH | 8±n/a |
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IC50 | 100.2±0.3 nM |
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Comments | extracted |
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Citation | Li, Z; Wang, B; Hou, JQ; Huang, SL; Ou, TM; Tan, JH; An, LK; Li, D; Gu, LQ; Huang, ZS 2-(2-indolyl-)-4(3H)-quinazolines derivates as new inhibitors of AChE: design, synthesis, biological evaluation and molecular modelling. J Enzyme Inhib Med Chem28:583-92 (2013) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Acetylcholinesterase |
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Name: | Acetylcholinesterase |
Synonyms: | ACES_ELEEL | Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE) | ache |
Type: | Enzyme |
Mol. Mass.: | 71812.79 |
Organism: | Electrophorus electricus (Electric eel) |
Description: | n/a |
Residue: | 633 |
Sequence: | MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFA
EPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLY
LNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGF
LALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDS
RPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLI
DQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYG
APGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIV
GDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHR
ASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINV
DGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAE
RQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
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BDBM240806 |
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n/a |
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Name | BDBM240806 |
Synonyms: | N-(2-(1H-indol-2-yl)-4-oxo-3,4-dihydroquinazolin-6-yl)-3-(pyrrolidin-1-yl)propanamide (3g) |
Type | Small organic molecule |
Emp. Form. | C23H23N5O2 |
Mol. Mass. | 401.461 |
SMILES | O=C(CCN1CCCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1 |
Structure |
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