Browse entries in the PDBbind-CN Database

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Related entries of code: 3i81
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%
3lvpRCSB PDB    PDBbind336aa, >3LVP_1|Chains... *
3lw0RCSB PDB    PDBbind304aa, >3LW0_1|Chains... at 99%
3nw5RCSB PDB    PDBbind307aa, >3NW5_1|Chain... 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 ID3i81
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameInsulin-like growth factor 1 receptor, IGF-1R
Ligand NameEBI
EC.Number E.C.2.7.1.112
Resolution 2.08(Å)
Affinity (Kd/Ki/IC50)IC50=13nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Med.Chem. Vol. 52: pp. 7360-7363
Ligand Properties
Formula C23H22FN9O
Molecular Weight 459.479
Exact Mass 459.193
No. of atoms 56
No. of bonds 61
Polar Surface Area 116.13
LOGP Value 3.00      (Computed with XLOGP3)
3.59      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 10
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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