Browse entries in the PDBbind-CN Database

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Related entries of code: 4g8r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a7cRCSB PDB    PDBbind379aa, >1A7C_1|Chain... at 99%
4aqhRCSB PDB    PDBbind383aa, >4AQH_1|Chains... *
4g8oRCSB PDB    PDBbind376aa, >4G8O_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4g8oRCSB PDB    PDBbind96P

Entry Information
PDB ID4g8r
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePlasminogen activator inhibitor-1
Ligand Name96P
EC.Number E.C.-.-.-.-
Resolution 2.19(Å)
Affinity (Kd/Ki/IC50)Kd=22nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Proc.Natl.Acad.Sci.USA Vol. 110: pp. E4941-E4949
Ligand Properties
Formula C25H20F3NO12
Molecular Weight 583.421
Exact Mass 583.094
No. of atoms 61
No. of bonds 63
Polar Surface Area 212.31
LOGP Value 3.42      (Computed with XLOGP3)
3.50      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 18
No. of Nitrogen and Oxygen Atoms: 13
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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