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: 6hu1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4cqfRCSB PDB    PDBbind446aa, >4CQF_1|Chains... at 100%
5fueRCSB PDB    PDBbind446aa, >5FUE_1|Chains... at 100%
6gx3RCSB PDB    PDBbind447aa, >6GX3_1|Chains... *
6gxaRCSB PDB    PDBbind447aa, >6GXA_1|Chains... at 100%
6gxuRCSB PDB    PDBbind447aa, >6GXU_1|Chains... at 100%
6gxwRCSB PDB    PDBbind447aa, >6GXW_1|Chains... at 100%
6hqyRCSB PDB    PDBbind447aa, >6HQY_1|Chains... at 100%
6hrqRCSB PDB    PDBbind447aa, >6HRQ_1|Chains... at 100%
6hshRCSB PDB    PDBbind447aa, >6HSH_1|Chains... at 100%
6hszRCSB PDB    PDBbind447aa, >6HSZ_1|Chains... at 100%
6ht8RCSB PDB    PDBbind447aa, >6HT8_1|Chains... at 100%
6htgRCSB PDB    PDBbind447aa, >6HTG_1|Chains... at 100%
6hthRCSB PDB    PDBbind447aa, >6HTH_1|Chains... at 100%
6htiRCSB PDB    PDBbind447aa, >6HTI_1|Chains... at 100%
6httRCSB PDB    PDBbind447aa, >6HTT_1|Chains... at 100%
6htzRCSB PDB    PDBbind447aa, >6HTZ_1|Chains... at 100%
6hu0RCSB PDB    PDBbind447aa, >6HU0_1|Chains... at 100%
6hu2RCSB PDB    PDBbind447aa, >6HU2_1|Chains... at 100%
6hu3RCSB PDB    PDBbind447aa, >6HU3_1|Chains... at 100%
6fu1RCSB PDB    PDBbind446aa, >6FU1_1|Chains... at 100%
6tldRCSB PDB    PDBbind447aa, >6TLD_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6hu1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHDAC8
Ligand NameGT2
EC.Number E.C.-.-.-.-
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=191nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 10000-10016
Ligand Properties
Formula C14H9Cl3N2O3
Molecular Weight 359.592
Exact Mass 357.968
No. of atoms 31
No. of bonds 32
Polar Surface Area 78.43
LOGP Value 3.43      (Computed with XLOGP3)
4.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
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): A5H660  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
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