Browse entries in the PDBbind-CN Database

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Related entries of code: 3qi3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2hd1RCSB PDB    PDBbind326aa, >2HD1_1|Chains... at 99%
3jsiRCSB PDB    PDBbind329aa, >3JSI_1|Chains... at 98%
3jswRCSB PDB    PDBbind329aa, >3JSW_1|Chains... at 98%
3k3eRCSB PDB    PDBbind326aa, >3K3E_1|Chains... at 99%
3k3hRCSB PDB    PDBbind326aa, >3K3H_1|Chains... at 99%
3qi4RCSB PDB    PDBbind533aa, >3QI4_1|Chains... at 100%
4e90RCSB PDB    PDBbind329aa, >4E90_1|Chains... at 98%
4g2jRCSB PDB    PDBbind329aa, >4G2J_1|Chains... at 98%
4g2lRCSB PDB    PDBbind329aa, >4G2L_1|Chains... at 98%
4gh6RCSB PDB    PDBbind326aa, >4GH6_1|Chains... at 99%
4qgeRCSB PDB    PDBbind533aa, >4QGE_1|Chains... at 99%
4y87RCSB PDB    PDBbind533aa, >4Y87_1|Chains... at 99%
4y8cRCSB PDB    PDBbind533aa, >4Y8C_1|Chains... at 99%
6a3nRCSB PDB    PDBbind322aa, >6A3N_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3k3eRCSB PDB    PDBbindPDB
Entry Information
PDB ID3qi3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, PDE9A (Q453E mutant)
Ligand NamePDB
EC.Number E.C.3.1.4.35
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)IC50=164.2uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Plos One Vol. 6: pp. e18092-e18092
Ligand Properties
Formula C16H15F3N4O
Molecular Weight 336.312
Exact Mass 336.120
No. of atoms 39
No. of bonds 41
Polar Surface Area 63.57
LOGP Value 3.20      (Computed with XLOGP3)
3.16      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
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): O76083  
Entrez Gene IDNCBI Entrez Gene ID: 5152  
ASDInformation of known allosteric effects of PDB entries
 
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