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Related entries of code: 6o95
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2oicRCSB PDB    PDBbind301aa, >2OIC_1|Chains... at 100%
4u97RCSB PDB    PDBbind312aa, >4U97_1|Chains... at 98%
4xs2RCSB PDB    PDBbind301aa, >4XS2_1|Chains... at 100%
4y73RCSB PDB    PDBbind302aa, >4Y73_1|Chains... at 99%
4yo6RCSB PDB    PDBbind301aa, >4YO6_1|Chains... at 100%
4yp8RCSB PDB    PDBbind301aa, >4YP8_1|Chains... at 100%
4ztlRCSB PDB    PDBbind301aa, >4ZTL_1|Chains... at 100%
4ztmRCSB PDB    PDBbind301aa, >4ZTM_1|Chains... at 100%
4ztnRCSB PDB    PDBbind301aa, >4ZTN_1|Chains... at 100%
5k76RCSB PDB    PDBbind301aa, >5K76_1|Chains... at 100%
5kx7RCSB PDB    PDBbind301aa, >5KX7_1|Chains... at 100%
5kx8RCSB PDB    PDBbind301aa, >5KX8_1|Chains... at 100%
5t1sRCSB PDB    PDBbind301aa, >5T1S_1|Chains... at 100%
5t1tRCSB PDB    PDBbind301aa, >5T1T_1|Chains... at 100%
5uiqRCSB PDB    PDBbind323aa, >5UIQ_1|Chains... *
5uirRCSB PDB    PDBbind323aa, >5UIR_1|Chains... at 100%
5uisRCSB PDB    PDBbind323aa, >5UIS_1|Chains... at 100%
5uitRCSB PDB    PDBbind323aa, >5UIT_1|Chains... at 100%
5uiuRCSB PDB    PDBbind323aa, >5UIU_1|Chains... at 100%
5w84RCSB PDB    PDBbind305aa, >5W84_1|Chains... at 98%
5w85RCSB PDB    PDBbind305aa, >5W85_1|Chains... at 98%
6f3dRCSB PDB    PDBbind295aa, >6F3D_1|Chains... at 100%
6f3eRCSB PDB    PDBbind295aa, >6F3E_1|Chains... at 100%
6f3gRCSB PDB    PDBbind295aa, >6F3G_2|Chain... at 100%
6f3iRCSB PDB    PDBbind322aa, >6F3I_1|Chains... at 99%
6rfjRCSB PDB    PDBbind322aa, >6RFJ_1|Chains... at 99%
6rfiRCSB PDB    PDBbind322aa, >6RFI_1|Chains... at 99%
6o9dRCSB PDB    PDBbind320aa, >6O9D_1|Chains... at 98%
6o94RCSB PDB    PDBbind320aa, >6O94_1|Chains... at 98%
6o8uRCSB PDB    PDBbind305aa, >6O8U_1|Chains... at 98%
6momRCSB PDB    PDBbind303aa, >6MOM_1|Chains... at 99%
6egaRCSB PDB    PDBbind312aa, >6EGA_1|Chains... at 98%
6eg9RCSB PDB    PDBbind312aa, >6EG9_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6o95
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameIRAK4
Ligand NameLSV
EC.Number E.C.2.7.11.1
Resolution 1.77(Å)
Affinity (Kd/Ki/IC50)Ki=5.1nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 6223-6240
Ligand Properties
Formula C21H23N5O4
Molecular Weight 409.438
Exact Mass 409.175
No. of atoms 53
No. of bonds 57
Polar Surface Area 101.22
LOGP Value 0.48      (Computed with XLOGP3)
1.64      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
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): Q9NWZ3  
Entrez Gene IDNCBI Entrez Gene ID: 51135  
ASDInformation of known allosteric effects of PDB entries
 
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