4TPK

Human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-methoxyethyl)-2-naphthamide

Summary for 4TPK

• Entry DOI: 10.2210/pdb4tpk/pdb
• Related: 4BDS
• Descriptor: Cholinesterase, beta-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (10 entities in total)
• Functional Keywords: butyrylcholinesterase inhibition, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 143427.96

Authors

Coquelle, N.,Brus, B.,Colletier, J.P.,Gobec, S. (deposition date: 2014-06-07, release date: 2014-10-22, Last modification date: 2020-07-29)

• Primary citation: Brus, B.,Kosak, U.,Turk, S.,Pislar, A.,Coquelle, N.,Kos, J.,Stojan, J.,Colletier, J.P.,Gobec, S.; Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor.; J.Med.Chem., 57:8167-8179, 2014; PubMed: 25226236; DOI: 10.1021/jm501195e

Experimental method

X-RAY DIFFRACTION (2.7 Å)