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: 6a6k
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1vjbRCSB PDB    PDBbind251aa, >1VJB_1|Chains... *
2e2rRCSB PDB    PDBbind244aa, >2E2R_1|Chain... at 94%
2ewpRCSB PDB    PDBbind226aa, >2EWP_1|Chains... at 100%
2p7aRCSB PDB    PDBbind251aa, >2P7A_1|Chain... at 100%
2p7gRCSB PDB    PDBbind251aa, >2P7G_1|Chain... at 100%
2p7zRCSB PDB    PDBbind251aa, >2P7Z_1|Chain... at 100%
2zasRCSB PDB    PDBbind244aa, >2ZAS_1|Chain... at 94%
6i67RCSB PDB    PDBbind241aa, >6I67_1|Chain... at 95%
6i66RCSB PDB    PDBbind241aa, >6I66_1|Chain... at 95%
6i65RCSB PDB    PDBbind241aa, >6I65_1|Chain... at 95%
6i64RCSB PDB    PDBbind241aa, >6I64_1|Chain... at 95%
6i63RCSB PDB    PDBbind237aa, >6I63_1|Chain... at 97%
6i62RCSB PDB    PDBbind237aa, >6I62_1|Chain... at 97%
6i61RCSB PDB    PDBbind241aa, >6I61_1|Chain... at 95%
5ysoRCSB PDB    PDBbind238aa, >5YSO_1|Chains... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6a6k
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameEstrogen-related receptor gamma
Ligand Name9S6
EC.Number E.C.-.-.-.-
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)IC50=35nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J. Med. Chem. Vol. 62: pp. 1837-1858
Ligand Properties
Formula C30H37N2O2
Molecular Weight 457.627
Exact Mass 457.286
No. of atoms 71
No. of bonds 74
Polar Surface Area 48.14
LOGP Value 6.65      (Computed with XLOGP3)
5.87      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 4
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): P62508  
Entrez Gene IDNCBI Entrez Gene ID: 2104  
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