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Related entries of code: 4m0e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4m0fRCSB PDB    PDBbind542aa, >4M0F_1|Chains... at 100%
6cqtRCSB PDB    PDBbind542aa, >6CQT_1|Chains... at 100%
6cqzRCSB PDB    PDBbind542aa, >6CQZ_1|Chains... at 100%
6o50RCSB PDB    PDBbind550aa, >6O50_1|Chains... at 99%
6o4xRCSB PDB    PDBbind550aa, >6O4X_1|Chains... at 99%
6o4wRCSB PDB    PDBbind550aa, >6O4W_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4m0e
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAcetylcholinesterase
Ligand Name1YL
EC.Number E.C.3.1.1.7
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=0.6uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Acs Med.Chem.Lett Vol. 4:pp.1091-1096
Ligand Properties
Formula C18H14O3
Molecular Weight 278.302
Exact Mass 278.094
No. of atoms 35
No. of bonds 38
Polar Surface Area 43.37
LOGP Value 3.16      (Computed with XLOGP3)
3.29      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 4
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P22303  
Entrez Gene IDNCBI Entrez Gene ID: 43  
ASDInformation of known allosteric effects of PDB entries

 
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