Index | Gene Name Primary | Protein Name | Uniprot ID | Gene Name Synonym | Ligand Name | Structure | PDB Code | ligand desolvation | Ligand Structure | Compound Affinity nM |
1 | ACES | Acetylcholinesterase | P22303 | | lnd | Binary complex of native hAChE with oxime reactivator RS-170B | 6o5v | 74.48 | | no data |
2 | ACES | Acetylcholinesterase | P22303 | | lnd | Room temperature structure of binary complex of native hAChE with oxime reactivator RS-170B | 6o5r | 69.7 | | no data |
3 | ACES | Acetylcholinesterase | P22303 | | lnd | Room temperature structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B | 6o5s | 72.37 | | no data |
4 | ACES | Acetylcholinesterase | P22303 | | lnd | Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B | 6o66 | 73.33 | | no data |
5 | ACES | Acetylcholinesterase | P22303 | | hlo | Human Acetylcholinesterase in complex with reactivator, HLo7 | 6nea | 82.48 | | no data |
6 | ACES | Acetylcholinesterase | P22303 | | hi6 | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with EMPA and HI-6 | 6cqy | 90.21 | | no data |
7 | ACES | Acetylcholinesterase | P22303 | | hi6 | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with VX(+) and HI-6 | 6cqv | 87.39 | | no data |
8 | ACES | Acetylcholinesterase | P22303 | | hi6 | Crystal Structure of Recombinant Human Acetylcholinesterase with Reactivator HI-6 | 6cqu | 84.65 | | no data |
9 | ACES | Acetylcholinesterase | P22303 | | hi6 | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with VX(-) and HI-6 | 6cqw | 89.04 | | no data |
10 | ACES | Acetylcholinesterase | P22303 | | e20 | Binary complex of native hAChE with Donepezil | 6o4w | 90.6 | | no data |
11 | ACES | Acetylcholinesterase | P22303 | | e20 | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Donepezil | 4ey7 | 86.18 | | no data |
12 | ACES | Acetylcholinesterase | P22303 | | gnt | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-galantamine | 4ey6 | 94 | | no data |
13 | ACES | Acetylcholinesterase | P22303 | | hi6 | Crystal structure of human acetylcholinesterase in complex with paraoxon and HI6 | 5hf9 | 87.6 | | no data |
14 | CHLE | Cholinesterase | P06276 | CHE1 | huz | Human Butyrylcholinesterase in complex with ((S)-2-(butylamino)-N-(2-(4-(dimethylamino)cyclohexyl)ethyl)-3-(1H-indol-3-yl)propanamide | 6qad | 79.58 | | no data |
15 | CHLE | Cholinesterase | P06276 | CHE1 | huq | Human Butyrylcholinesterase in complex with (S)-N-(1-((2-cycloheptylethyl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-N,N-dimethylbutan-1-aminium | 6qab | 82.13 | | no data |
16 | CHLE | Cholinesterase | P06276 | CHE1 | huk | Human Butyrylcholinesterase in complex with (S)-N2-butyl-N1-(2-cycloheptylethyl)-3-(1H-indol-3-yl)-N1,N2-dimethylpropane-1,2-diamine | 6qae | 81.91 | | no data |
17 | CHLE | Cholinesterase | P06276 | CHE1 | gz5 | Human butyrylcholinesterase in complex with the R enantiomer of a chlorotacrine-tryptophan multi-target inhibitor. | 6i0c | 88.59 | | no data |
18 | CHLE | Cholinesterase | P06276 | CHE1 | by2 | Butyrylcolinesterase expressed in CHO cells co-crystallised with a rivastigmine analogue | 6eyf | 85.14 | | no data |
19 | CHLE | Cholinesterase | P06276 | CHE1 | by2 | Butyrylcolinesterase expressed in CHO cells co-crystallised with a rivastigmine analogue | 6eul | 85.06 | | no data |
20 | CHLE | Cholinesterase | P06276 | CHE1 | buw | Human butyrylcholinesterase in complex with ethopropazine | 6eqp | 84.02 | | 1100. |
21 | CHLE | Cholinesterase | P06276 | CHE1 | 9a5 | Human butyrylcholinesterase in complex with the S enantiomer of a chlorotacrine-tryptophan multi-target inhibitor. | 6i0b | 86.8 | | no data |
22 | CHLE | Cholinesterase | P06276 | CHE1 | 6qs | Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening | 5k5e | 87.59 | | 443. |
23 | CHLE | Cholinesterase | P06276 | CHE1 | 5hh | Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)naphthalene-2-sulfonamide | 5dyy | 87.53 | | 56.9 |
24 | CHLE | Cholinesterase | P06276 | CHE1 | 5hf | Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide | 5dyw | 87.89 | | 4.9 |
25 | CHLE | Cholinesterase | P06276 | CHE1 | 5hb | Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-methylnaphthalene-2-sulfonamide | 5dyt | 87.73 | | 25. |
26 | CHLE | Cholinesterase | P06276 | CHE1 | 40v | X-ray structure of human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide | 4xii | 82.61 | | 250. |
27 | CHLE | Cholinesterase | P06276 | CHE1 | 3f9 | Human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-methoxyethyl)-2-naphthamide | 4tpk | 81.04 | | 2.71 |
28 | CHLE | Cholinesterase | P06276 | CHE1 | 6yc | Human Butyrylcholinesterase complexed with N-Propargyliperidines | 5lkr | 73.8 | | 3306. |
29 | CHLE | Cholinesterase | P06276 | CHE1 | cwq | Human Butyrylcholinesterase complexed with N-Propargyliperidines | 6f7q | 79.84 | | no data |
30 | EST1 | Liver carboxylesterase 1 | P23141 | CES2 SES1 | mvb | Crystal Structure of Human Liver Carboxylesterase in complex with cleavage products of Mevastatin | 1ya8 | 59.12 | | no data |
31 | EST1 | Liver carboxylesterase 1 | P23141 | CES2 SES1 | htq | Crystal Structure of Human Liver Carboxylesterase in complexed with homatropine, a cocaine analogue | 1mx5 | 96.79 | | no data |
32 | EST1 | Liver carboxylesterase 1 | P23141 | CES2 SES1 | htq | Crystal structure of human carboxylesterase in complex with homatropine, coenzyme A, and palmitate | 2dqz | 59.33 | | no data |
33 | EST1 | Liver carboxylesterase 1 | P23141 | CES2 SES1 | chd | Crystal structure of human carboxylesterase in complex with cholate and palmitate | 2dqy | 49.21 | | no data |