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: 2az5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3it8RCSB PDB    PDBbind161aa, >3IT8_1|Chains... at 93%
3wd5RCSB PDB    PDBbind157aa, >3WD5_1|Chain... at 99%
4g3yRCSB PDB    PDBbind157aa, >4G3Y_3|Chain... at 100%
5wuxRCSB PDB    PDBbind157aa, >5WUX_3|Chains... at 100%
6op0RCSB PDB    PDBbind158aa, >6OP0_1|Chains... at 99%
6oozRCSB PDB    PDBbind157aa, >6OOZ_1|Chains... at 100%
6ooyRCSB PDB    PDBbind157aa, >6OOY_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 ID2az5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTumor necrosis factor (TNF-alpha)
Ligand Name307
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=5.36uM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference (2013) ACS Med. Chem. Lett., Vol.4, pp.137-141
Ligand Properties
Formula C32H34F3N3O2
Molecular Weight 549.626
Exact Mass 549.260
No. of atoms 74
No. of bonds 78
Polar Surface Area 44.02
LOGP Value 6.82      (Computed with XLOGP3)
4.10      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 5
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): P01375  
Entrez Gene IDNCBI Entrez Gene ID: 7124  
ASDInformation of known allosteric effects of PDB entries

This site has been visited times since Nov 2007.

Copyright ©2007-2021    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: