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: 5opc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1yciRCSB PDB    PDBbind349aa, >1YCI_1|Chain... at 100%
2w0xRCSB PDB    PDBbind349aa, >2W0X_1|Chain... at 100%
2wa3RCSB PDB    PDBbind349aa, >2WA3_1|Chain... at 100%
2wa4RCSB PDB    PDBbind349aa, >2WA4_1|Chain... at 100%
2yc0RCSB PDB    PDBbind352aa, >2YC0_1|Chain... *
2ydeRCSB PDB    PDBbind352aa, >2YDE_1|Chain... at 100%
4ai8RCSB PDB    PDBbind352aa, >4AI8_1|Chain... at 100%
4bioRCSB PDB    PDBbind352aa, >4BIO_1|Chain... at 100%
5op6RCSB PDB    PDBbind351aa, >5OP6_1|Chain... at 100%
5op8RCSB PDB    PDBbind350aa, >5OP8_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5ox6RCSB PDB    PDBbindA1Z
Entry Information
PDB ID5opc
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHypoxia-inducible factor 1-alpha inhibitor
Ligand NameA1Z
EC.Number E.C.1.14.11.n4; 1.14.11.30
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=29uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Chem Sci Vol. 8: pp. 7651-7668
Ligand Properties
Formula C8H8N2O4
Molecular Weight 196.160
Exact Mass 196.048
No. of atoms 22
No. of bonds 22
Polar Surface Area 99.52
LOGP Value 1.14      (Computed with XLOGP3)
-0.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 1
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): Q9NWT6  
Entrez Gene IDNCBI Entrez Gene ID: 55662  
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