30 complex(es)
PDB ID
Protein Name
Organism
Uniprot ID/ACC
Ligand Name
HET ID
Structure
PS-Score (Pocket Similarity)
Card
1 6NTM Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM HI6 0.98 SHOW
2 6NEA Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM HLO 0.9 SHOW
3 6NTG Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM HI6 0.78 SHOW
4 4BTL Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) 4-(2-chloro-6-nitrophenoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide 5GZ 0.63 SHOW
5 5E2I Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) DECAMETHONIUM ION DME 0.61 SHOW
6 6FSE Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone E5K 0.53 SHOW
7 2HA6 Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) 2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-TRIMETHYLETHANAMINIUM) SCK 0.51 SHOW
8 1U65 Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) (4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE CP0 0.5 SHOW
9 2XUD Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) DECAMETHONIUM ION DME 0.5 SHOW
10 6TD2 Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) ~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide N2K 0.49 SHOW
11 4B80 Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide A36 0.49 SHOW
12 4B7Z Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide Q4Q 0.49 SHOW
13 4B81 Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide ZN4 0.48 SHOW
14 6FSD Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide E5H 0.48 SHOW
15 5FUM Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) 2-(biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone SOF 0.47 SHOW
16 5DYY Cholinesterase Homo sapiens P06276 (CHLE_HUMAN) N-{[(3R)-1-benzylpiperidin-3-yl]methyl}naphthalene-2-sulfonamide 5HH 0.47 SHOW
17 6TT0 Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) (1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide N9T 0.45 SHOW
18 6O50 Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM EBW 0.45 SHOW
19 5FOQ Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) 2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide GC8 0.45 SHOW
20 6U34 Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide PQV 0.45 SHOW
21 6U3P Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) (2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide] PQY 0.44 SHOW
22 6O52 Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM EBW 0.44 SHOW
23 4B83 Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) N-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide B3V 0.44 SHOW
24 2W6C Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol BM4 0.43 SHOW
25 4B82 Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) N-[2-(diethylamino)ethyl]-2-fluoranyl-benzenesulfonamide B3Z 0.43 SHOW
26 4EY7 Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE E20 0.42 SHOW
27 6O4W Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE E20 0.42 SHOW
28 5NAU Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) (2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one DZ0 0.41 SHOW
29 3I6Z Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) 2-{6-[(4aS,6R,8aS)-6-hydroxy-3-methoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]hexyl}-1 ,2-benzisothiazol-3(2H)-one 1,1-dioxide G6X 0.41 SHOW
30 5E4J Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) DECAMETHONIUM ION DME 0.41 SHOW