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Related entries of code: 3wff
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2a3iRCSB PDB    PDBbind12aa, >2A3I_2|Chain... at 100%
2aa6RCSB PDB    PDBbind275aa, >2AA6_1|Chains... at 90%
2oaxRCSB PDB    PDBbind256aa, >2OAX_1|Chains... at 96%
3vhvRCSB PDB    PDBbind260aa, >3VHV_1|Chain... at 95%
3wfgRCSB PDB    PDBbind275aa, >3WFG_1|Chain... at 90%
4pf3RCSB PDB    PDBbind275aa, >4PF3_1|Chain... at 90%
4udaRCSB PDB    PDBbind251aa, >4UDA_1|Chain... at 99%
4udbRCSB PDB    PDBbind15aa, >4UDB_2|Chain... at 100%
5hcvRCSB PDB    PDBbind257aa, >5HCV_1|Chains... at 96%
5l7eRCSB PDB    PDBbind305aa, >5L7E_1|Chain... *
5l7gRCSB PDB    PDBbind305aa, >5L7G_1|Chain... at 100%
5l7hRCSB PDB    PDBbind305aa, >5L7H_1|Chain... at 100%
5mwpRCSB PDB    PDBbind15aa, >5MWP_2|Chain... at 100%
5mwyRCSB PDB    PDBbind15aa, >5MWY_2|Chain... at 100%
6gggRCSB PDB    PDBbind305aa, >6GGG_1|Chain... at 100%
6gg8RCSB PDB    PDBbind305aa, >6GG8_1|Chain... at 99%
6gevRCSB PDB    PDBbind15aa, >6GEV_2|Chain... 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 ID3wff
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMineralocorticoid receptor
Ligand NameWFF
EC.Number E.C.-.-.-.-
Resolution 2.05(Å)
Affinity (Kd/Ki/IC50)IC50=660nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Bioorg.Med.Chem. Vol. 21: pp. 5983鈥5994.
Ligand Properties
Formula C18H11F2NO4
Molecular Weight 343.281
Exact Mass 343.066
No. of atoms 36
No. of bonds 39
Polar Surface Area 64.63
LOGP Value 2.19      (Computed with XLOGP3)
2.90      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
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): P08235  
Entrez Gene IDNCBI Entrez Gene ID: 4306  
ASDInformation of known allosteric effects of PDB entries
 
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