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: 5h21
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4bjxRCSB PDB    PDBbind153aa, >4BJX_1|Chain... *
5cp5RCSB PDB    PDBbind141aa, >5CP5_1|Chain... at 92%
5cqtRCSB PDB    PDBbind141aa, >5CQT_1|Chain... at 92%
5cy9RCSB PDB    PDBbind141aa, >5CY9_1|Chain... at 92%
5d0cRCSB PDB    PDBbind141aa, >5D0C_1|Chain... at 92%
5wuuRCSB PDB    PDBbind139aa, >5WUU_1|Chain... at 94%
5y8cRCSB PDB    PDBbind139aa, >5Y8C_1|Chain... at 92%
5y8wRCSB PDB    PDBbind141aa, >5Y8W_1|Chain... at 92%
5y8yRCSB PDB    PDBbind141aa, >5Y8Y_1|Chain... at 92%
5y8zRCSB PDB    PDBbind141aa, >5Y8Z_1|Chain... at 92%
5y93RCSB PDB    PDBbind141aa, >5Y93_1|Chain... at 92%
5y94RCSB PDB    PDBbind141aa, >5Y94_1|Chain... at 92%
5z1tRCSB PDB    PDBbind141aa, >5Z1T_1|Chain... at 92%
5z1sRCSB PDB    PDBbind141aa, >5Z1S_1|Chain... at 92%
5z1rRCSB PDB    PDBbind141aa, >5Z1R_1|Chain... at 92%
5yqxRCSB PDB    PDBbind140aa, >5YQX_1|Chain... at 92%
5lrqRCSB PDB    PDBbind143aa, >5LRQ_1|Chain... at 90%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5h21
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBromodomain-containing protein 4
Ligand NameRMR
EC.Number E.C.-.-.-.-
Resolution 1.59(Å)
Affinity (Kd/Ki/IC50)IC50=6.4uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Medchemcomm Vol. 8: pp. 1322-1331
Ligand Properties
Formula C16H21NO4S
Molecular Weight 323.407
Exact Mass 323.119
No. of atoms 43
No. of bonds 44
Polar Surface Area 82.09
LOGP Value 2.50      (Computed with XLOGP3)
3.24      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 8
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): O60885  
Entrez Gene IDNCBI Entrez Gene ID: 23476  
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