Browse entries in the PDBbind-CN Database

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Related entries of code: 3eta
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3eknRCSB PDB    PDBbind307aa, >3EKN_1|Chain... at 95%
4ibmRCSB PDB    PDBbind306aa, >4IBM_1|Chains... at 95%
5e1sRCSB PDB    PDBbind308aa, >5E1S_1|Chain... at 95%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3eta
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameinsulin receptor, kinase domain
Ligand Name351
EC.Number E.C.2.7.10.1
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)IC50=14nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Bioorg.Med.Chem.Lett. Vol. 19: pp. 3136-3140
Ligand Properties
Formula C33H28N5O2
Molecular Weight 526.608
Exact Mass 526.224
No. of atoms 68
No. of bonds 73
Polar Surface Area 106.68
LOGP Value 5.51      (Computed with XLOGP3)
7.22      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 6
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): P06213  
Entrez Gene IDNCBI Entrez Gene ID: 3643  
ASDInformation of known allosteric effects of PDB entries

 
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