Receptor
PDB id Resolution Class Description Source Keywords
4a23 2.4 Å EC: 3.1.1.7 MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH RACEMIC C5685 MUS MUSCULUS HYDROLASE CHOLINESTERASE
Ref.: TARGETING ACETYLCHOLINESTERASE: IDENTIFICATION OF C LEADS BY HIGH THROUGHPUT SCREENING, STRUCTURE DETER AND MOLECULAR MODELING. PLOS ONE V. 6 26039 2011
Ligand Information
Ligand Validity Binding Data Ligand Warnings Chemaxon Viewer Molecular Weight (Da) Formula SMILES
PE4 Invalid - none 354.436
C16 H34 O8
CCOCCOCCOCCOCCOCCOCCOCCO
C57 Valid ic50 = 1.3 uM Less atoms than expected were found for ligand in PDB. % Diff = 0.28 350.413
C17 H26 N4 O4
CCN1CCC[C@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-]
PEG Invalid - none 106.12
C4 H10 O3
C(COCCO)O
C56 Valid ic50 = 1.3 uM Less atoms than expected were found for ligand in PDB. % Diff = 0.28 350.413
C17 H26 N4 O4
CCN1CCC[C@@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-]
90% Homology Family

The Class containing this family consists of a total of 4 families.

Leader:    1Q84     CRYSTAL STRUCTURE OF THE MOUSE ACETYLCHOLINESTERASE-TZ2PA6 A COMPLEX
No: PDB id Binding Data Representative ligand
1 1N5M - GMN
2 1Q84 Ki = 8900 fM TZ4
3 4ARB Kd = 1.3 uM C57
4 4ARA Kd = 0.9 uM C56
5 2GYW - OBI
6 2HA0 Ki = 0.023 mM CHH
7 1N5R Ki = 2.2 uM PRM
8 2HA5 - ETM
9 2GYV - HBP
10 2HA6 - SCK
11 2JF0 - HBP
12 2HA2 Ki = 0.021 mM SCK
13 2GYU - HI6
14 2WHQ - HI6
15 4A23 ic50 = 1.3 uM C57
16 2HA3 Kd = 0.93 mM CHT
17 1J07 Ki = 0.021 uM DCU
18 2WU4 - HBP
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