Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 6hx1
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%
4z7hRCSB PDB    PDBbind416aa, >4Z7H_1|Chains... 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 ID6hx1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameIRE1alpha
Ligand NameGXK
EC.Number E.C.-.-.-.-
Resolution 2.14(Å)
Affinity (Kd/Ki/IC50)IC50=0.303uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 2447-2465
Ligand Properties
Formula C17H15ClN6
Molecular Weight 338.794
Exact Mass 338.105
No. of atoms 39
No. of bonds 43
Polar Surface Area 70.9
LOGP Value 3.31      (Computed with XLOGP3)
3.82      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
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

 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝e湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com