53 complex(es)
PDB ID
Protein Name
Organism
Uniprot ID/ACC
Ligand Name
HET ID
Structure
PS-Score (Pocket Similarity)
Card
1 4B7Z Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide Q4Q 0.98 SHOW
2 4B80 Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide A36 0.98 SHOW
3 6TD2 Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) ~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide N2K 0.97 SHOW
4 4BTL Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) 4-(2-chloro-6-nitrophenoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide 5GZ 0.97 SHOW
5 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 0.94 SHOW
6 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 0.91 SHOW
7 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 0.9 SHOW
8 4B84 Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide Z5K 0.89 SHOW
9 4B82 Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) N-[2-(diethylamino)ethyl]-2-fluoranyl-benzenesulfonamide B3Z 0.88 SHOW
10 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 0.87 SHOW
11 6FSE Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone E5K 0.85 SHOW
12 4B83 Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) N-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide B3V 0.85 SHOW
13 5FUM Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) 2-(biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone SOF 0.84 SHOW
14 4B85 Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) 4-chloranyl-N-[2-(diethylamino)ethyl]benzenesulfonamide B3W 0.84 SHOW
15 5FOQ Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) 2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide GC8 0.83 SHOW
16 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 0.82 SHOW
17 4EY7 Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE E20 0.81 SHOW
18 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 0.81 SHOW
19 6O4W Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE E20 0.81 SHOW
20 6EZH Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one C6H 0.8 SHOW
21 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 0.79 SHOW
22 2HA6 Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) 2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-TRIMETHYLETHANAMINIUM) SCK 0.79 SHOW
23 3I6M Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) (4aS,6R,8aS)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol G3X 0.79 SHOW
24 1EVE Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE E20 0.79 SHOW
25 5E4J Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) DECAMETHONIUM ION DME 0.78 SHOW
26 1GPN Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) HUPERZINE B HUB 0.77 SHOW
27 5NAP Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) (2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one DZ7 0.77 SHOW
28 6U34 Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide PQV 0.77 SHOW
29 1UT6 Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE A8N 0.75 SHOW
30 5NAU Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) (2~{E})-5-methoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one DZ0 0.74 SHOW
31 6XYU Acetylcholinesterase Drosophila melanogaster P07140 (ACES_DROME) 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE I40 0.73 SHOW
32 6XYY Acetylcholinesterase Drosophila melanogaster P07140 (ACES_DROME) 9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE 760 0.69 SHOW
33 6NTO Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) (S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride L2Y 0.69 SHOW
34 1GQR Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL SAF 0.68 SHOW
35 6EWK Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol RM0 0.67 SHOW
36 2VJB Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM CCD 0.66 SHOW
37 2VJD Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM CCD 0.66 SHOW
38 6NTK Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate L0S 0.65 SHOW
39 6NTL Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) ethyl (R)-N-[(1E)-1-(diethylamino)ethylidene]phosphonamidate L1M 0.65 SHOW
40 2XUD Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) DECAMETHONIUM ION DME 0.65 SHOW
41 6NTH Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate L0S 0.65 SHOW
42 5DYY Cholinesterase Homo sapiens P06276 (CHLE_HUMAN) N-{[(3R)-1-benzylpiperidin-3-yl]methyl}naphthalene-2-sulfonamide 5HH 0.64 SHOW
43 6FSD Acetylcholinesterase Mus musculus P21836 (ACES_MOUSE) 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide E5H 0.63 SHOW
44 2C5G Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) 2-(TRIMETHYLAMMONIUM)ETHYL THIOL ETM 0.62 SHOW
45 2ACE Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) ACETYLCHOLINE ACH 0.62 SHOW
46 6EQP Cholinesterase Homo sapiens P06276 (CHLE_HUMAN) R-ethopropazine BUW 0.6 SHOW
47 2C58 Acetylcholinesterase Tetronarce californica P04058 (ACES_TETCF) 2-(TRIMETHYLAMMONIUM)ETHYL THIOL ETM 0.58 SHOW
48 6NEA Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM HLO 0.54 SHOW
49 6NTG Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM HI6 0.52 SHOW
50 6NTM Acetylcholinesterase Homo sapiens P22303 (ACES_HUMAN) 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM HI6 0.49 SHOW