Browse entries in the PDBbind-CN Database

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Related entries of code: 3nw5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2oj9RCSB PDB    PDBbind307aa, >2OJ9_1|Chain... at 99%
2zm3RCSB PDB    PDBbind308aa, >2ZM3_1|Chains... at 99%
3d94RCSB PDB    PDBbind301aa, >3D94_1|Chain... at 99%
3f5pRCSB PDB    PDBbind308aa, >3F5P_1|Chains... at 99%
3i81RCSB PDB    PDBbind315aa, >3I81_1|Chain... at 96%
3lvpRCSB PDB    PDBbind336aa, >3LVP_1|Chains... *
3lw0RCSB PDB    PDBbind304aa, >3LW0_1|Chains... at 99%
3nw6RCSB PDB    PDBbind307aa, >3NW6_1|Chain... at 99%
3nw7RCSB PDB    PDBbind307aa, >3NW7_1|Chain... at 99%
3o23RCSB PDB    PDBbind305aa, >3O23_1|Chain... at 99%
3qquRCSB PDB    PDBbind301aa, >3QQU_1|Chains... at 99%
4d2rRCSB PDB    PDBbind302aa, >4D2R_1|Chain... at 100%
5fxqRCSB PDB    PDBbind308aa, >5FXQ_1|Chain... at 99%
5fxrRCSB PDB    PDBbind308aa, >5FXR_1|Chain... at 99%
5fxsRCSB PDB    PDBbind308aa, >5FXS_1|Chain... at 99%
5hznRCSB PDB    PDBbind304aa, >5HZN_1|Chains... 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 ID3nw5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameinsulin-like growth factor 1 receptor (IGF-1R-WT),KINASE DOMAIN (RESIDUES 982-1286)
Ligand NameLGX
EC.Number E.C.2.7.10.1
Resolution 2.14(Å)
Affinity (Kd/Ki/IC50)IC50=8400nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Bioorg.Med.Chem.Lett. Vol. 20: pp. 5027-5030
Ligand Properties
Formula C22H19FN8O
Molecular Weight 430.438
Exact Mass 430.167
No. of atoms 51
No. of bonds 56
Polar Surface Area 104.1
LOGP Value 2.44      (Computed with XLOGP3)
3.37      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 6
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): P08069  
Entrez Gene IDNCBI Entrez Gene ID: 3480  
ASDInformation of known allosteric effects of PDB entries
 
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