Browse entries in the PDBbind-CN Database

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Related entries of code: 4ieh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2o22RCSB PDB    PDBbind164aa, >2O22_1|Chain... at 94%
2w3lRCSB PDB    PDBbind144aa, >2W3L_1|Chains... at 99%
4aq3RCSB PDB    PDBbind169aa, >4AQ3_1|Chains... at 90%
4lvtRCSB PDB    PDBbind166aa, >4LVT_1|Chains... at 93%
4lxdRCSB PDB    PDBbind166aa, >4LXD_1|Chain... at 93%
4manRCSB PDB    PDBbind166aa, >4MAN_1|Chains... at 93%
6gl8RCSB PDB    PDBbind172aa, >6GL8_1|Chain... *
6o0pRCSB PDB    PDBbind166aa, >6O0P_1|Chain... at 92%
6o0oRCSB PDB    PDBbind166aa, >6O0O_1|Chains... at 92%
6o0mRCSB PDB    PDBbind166aa, >6O0M_1|Chain... at 92%
6o0kRCSB PDB    PDBbind166aa, >6O0K_1|Chain... at 93%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4ieh
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameBcl-2
Ligand Name1E9
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=14nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) ACS MED.CHEM.LETT. Vol. 4: pp. 186-190
Ligand Properties
Formula C42H46ClN7O6S3
Molecular Weight 876.506
Exact Mass 875.236
No. of atoms 105
No. of bonds 111
Polar Surface Area 204.7
LOGP Value 8.32      (Computed with XLOGP3)
8.57      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 7
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): P10415  Q07817  
Entrez Gene IDNCBI Entrez Gene ID: 596  598  
ASDInformation of known allosteric effects of PDB entries
 
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