Browse entries in the PDBbind-CN Database

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Related entries of code: 2wa4
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%
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%
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 ID2wa4
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHYPOXIA-INDUCIBLE FACTOR 1 ALPHA INHIBITOR
Ligand Name069
EC.Number E.C.1.14.11.16
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=18uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Bioorg.Med.Chem.Lett. Vol. 20: pp. 6125-6128
Ligand Properties
Formula C7H7NO3
Molecular Weight 153.135
Exact Mass 153.043
No. of atoms 18
No. of bonds 18
Polar Surface Area 69.56
LOGP Value 0.35      (Computed with XLOGP3)
0.90      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
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

 
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