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Related entries of code: 4aqh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a7cRCSB PDB    PDBbind379aa, >1A7C_1|Chain... at 99%
4g8oRCSB PDB    PDBbind376aa, >4G8O_1|Chains... at 98%
4g8rRCSB PDB    PDBbind376aa, >4G8R_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4aqh
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePLASMINOGEN ACTIVATOR INHIBITOR 1
Ligand NameTB7
EC.Number E.C.-.-.-.-
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Kd=0.29uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Biol.Chem. Vol. 288: pp. 873
Ligand Properties
Formula C15H20N5O3
Molecular Weight 318.351
Exact Mass 318.157
No. of atoms 43
No. of bonds 45
Polar Surface Area 105.05
LOGP Value 0.48      (Computed with XLOGP3)
-1.21      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 8
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): P05121  
Entrez Gene IDNCBI Entrez Gene ID: 5054  
ASDInformation of known allosteric effects of PDB entries

 
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