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Related entries of code: 5i2e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5i2fRCSB PDB    PDBbind129aa, >5I2F_1|Chains... at 100%
5ipcRCSB PDB    PDBbind129aa, >5IPC_1|Chains... at 99%
5klyRCSB PDB    PDBbind129aa, >5KLY_1|Chains... at 99%
5klzRCSB PDB    PDBbind129aa, >5KLZ_1|Chains... at 100%
5km0RCSB PDB    PDBbind129aa, >5KM0_1|Chains... at 100%
5km1RCSB PDB    PDBbind129aa, >5KM1_1|Chains... at 100%
5km2RCSB PDB    PDBbind129aa, >5KM2_1|Chains... at 100%
5km3RCSB PDB    PDBbind129aa, >5KM3_1|Chains... at 100%
5kmaRCSB PDB    PDBbind129aa, >5KMA_1|Chains... at 99%
5wa8RCSB PDB    PDBbind129aa, >5WA8_1|Chains... at 99%
5wa9RCSB PDB    PDBbind129aa, >5WA9_1|Chains... at 99%
6n3yRCSB PDB    PDBbind129aa, >6N3Y_1|Chains... at 100%
6n3xRCSB PDB    PDBbind129aa, >6N3X_1|Chains... at 100%
6n3wRCSB PDB    PDBbind129aa, >6N3W_1|Chains... at 100%
6n3vRCSB PDB    PDBbind129aa, >6N3V_1|Chains... 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 ID5i2e
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHuman Histidine Triad Nucleotide Binding Protein 1 (Hint1)
Ligand Name67D
EC.Number E.C.3
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Kd=0.23uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Acs Med.Chem.Lett. Vol. 7: pp. 780-784
Ligand Properties
Formula C23H23N7O7S
Molecular Weight 541.536
Exact Mass 541.138
No. of atoms 61
No. of bonds 66
Polar Surface Area 194.34
LOGP Value 0.43      (Computed with XLOGP3)
1.66      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 14
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): P49773  
Entrez Gene IDNCBI Entrez Gene ID: 3094  
ASDInformation of known allosteric effects of PDB entries
 
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