Browse entries in the PDBbind-CN Database

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Related entries of code: 5op8
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%
5opcRCSB PDB    PDBbind350aa, >5OPC_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5op8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHypoxia-inducible factor 1-alpha inhibitor
Ligand NameA1H
EC.Number E.C.1.14.11.n4; 1.14.11.30
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=66uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Chem Sci Vol. 8: pp. 7651-7668
Ligand Properties
Formula C13H14N8O2
Molecular Weight 314.303
Exact Mass 314.124
No. of atoms 37
No. of bonds 40
Polar Surface Area 106.75
LOGP Value -0.19      (Computed with XLOGP3)
-0.56      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 10
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): Q9NWT6  
Entrez Gene IDNCBI Entrez Gene ID: 55662  
ASDInformation of known allosteric effects of PDB entries

 
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