Browse entries in the PDBbind-CN Database

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Related entries of code: 4e90
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%
3qi3RCSB PDB    PDBbind533aa, >3QI3_1|Chains... *
3qi4RCSB PDB    PDBbind533aa, >3QI4_1|Chains... at 100%
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4e90
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Ligand Name7RG
EC.Number E.C.3.1.4.35
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=8nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 9055-9068
Ligand Properties
Formula C20H26N7O2
Molecular Weight 396.466
Exact Mass 396.215
No. of atoms 55
No. of bonds 59
Polar Surface Area 103.02
LOGP Value 0.03      (Computed with XLOGP3)
1.65      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
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): O76083  
Entrez Gene IDNCBI Entrez Gene ID: 5152  
ASDInformation of known allosteric effects of PDB entries
 
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