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Related entries of code: 4z7h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3p23RCSB PDB    PDBbind432aa, >3P23_1|Chains... at 99%
4pl3RCSB PDB    PDBbind435aa, >4PL3_1|Chains... at 91%
4pl4RCSB PDB    PDBbind435aa, >4PL4_1|Chains... at 91%
4pl5RCSB PDB    PDBbind435aa, >4PL5_1|Chains... at 91%
4u6rRCSB PDB    PDBbind455aa, >4U6R_1|Chain... *
4yz9RCSB PDB    PDBbind405aa, >4YZ9_1|Chains... at 99%
4yzcRCSB PDB    PDBbind405aa, >4YZC_1|Chains... at 99%
6hx1RCSB PDB    PDBbind403aa, >6HX1_1|Chain... at 99%
6hv0RCSB PDB    PDBbind416aa, >6HV0_1|Chain... 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 ID4z7h
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman IRE1 cytoplasmic kinase-RNase region
Ligand Name4L5
EC.Number E.C.2.7.11.1
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)IC50=218nM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Oncotarget Vol. 6: pp. 13019-13035
Ligand Properties
Formula C17H19N5O2
Molecular Weight 325.365
Exact Mass 325.154
No. of atoms 43
No. of bonds 45
Polar Surface Area 94.54
LOGP Value 1.95      (Computed with XLOGP3)
3.10      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
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): O75460  
Entrez Gene IDNCBI Entrez Gene ID: 2081  
ASDInformation of known allosteric effects of PDB entries
 
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