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Related entries of code: 4an2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ornRCSB PDB    PDBbind307aa, >3ORN:A|PDBID|CHAIN|... *
3os3RCSB PDB    PDBbind307aa, >3OS3:A|PDBID|CHAIN|... at 100%
3wigRCSB PDB    PDBbind307aa, >3WIG:A|PDBID|CHAIN|... at 100%
4an3RCSB PDB    PDBbind301aa, >4AN3:A|PDBID|CHAIN|... at 96%
4an9RCSB PDB    PDBbind301aa, >4AN9:A|PDBID|CHAIN|... at 96%
4anbRCSB PDB    PDBbind301aa, >4ANB:A|PDBID|CHAIN|... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4lmnRCSB PDB    PDBbindEUI

Entry Information
PDB ID4an2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Ligand NameEUI
EC.Number E.C.
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=0.9nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference(2012) Acs Med.Chem.Lett. Vol. 3: pp. 416-421
Ligand Properties
Formula C21H22F3IN3O2
Molecular Weight 532.318
Exact Mass 532.071
No. of atoms 52
No. of bonds 55
Polar Surface Area 69.18
LOGP Value 3.88      (Computed with XLOGP3)
4.34      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
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): Q02750  
Entrez Gene IDNCBI Entrez Gene ID: 5604  
ASDInformation of known allosteric effects of PDB entries

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