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: 6ffe
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4j1pRCSB PDB    PDBbind114aa, >4J1P_1|Chain... at 98%
4mr5RCSB PDB    PDBbind114aa, >4MR5_1|Chain... at 98%
4mr6RCSB PDB    PDBbind114aa, >4MR6_1|Chain... at 98%
4qevRCSB PDB    PDBbind114aa, >4QEV_1|Chain... at 97%
4qewRCSB PDB    PDBbind114aa, >4QEW_1|Chain... at 97%
4uygRCSB PDB    PDBbind157aa, >4UYG_1|Chains... *
5dw1RCSB PDB    PDBbind113aa, >5DW1_1|Chains... at 98%
5ek9RCSB PDB    PDBbind114aa, >5EK9_1|Chains... at 98%
5u6vRCSB PDB    PDBbind110aa, >5U6V_1|Chain... at 99%
6moaRCSB PDB    PDBbind110aa, >6MOA_1|Chain... at 100%
6k04RCSB PDB    PDBbind112aa, >6K04_1|Chain... at 100%
6ffgRCSB PDB    PDBbind115aa, >6FFG_1|Chain... at 97%
6fffRCSB PDB    PDBbind115aa, >6FFF_1|Chain... at 97%
6e6jRCSB PDB    PDBbind112aa, >6E6J_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6ffe
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameBromodomain-containing protein 2
Ligand NameD7Q
EC.Number E.C.-.-.-.-
Resolution 1.76(Å)
Affinity (Kd/Ki/IC50)IC50=0.79uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J.Med.Chem. Vol. 61: pp. 4317-4334
Ligand Properties
Formula C21H20N2O3
Molecular Weight 348.395
Exact Mass 348.147
No. of atoms 46
No. of bonds 49
Polar Surface Area 60.85
LOGP Value 4.00      (Computed with XLOGP3)
3.44      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
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): P25440  
Entrez Gene IDNCBI Entrez Gene ID: 6046  
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