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Related entries of code: 1c4v
Entries with 90% protein sequence similarity cutoff in PDBbind
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Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1c4v
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namethrombin alpha
Ligand NameIH2
EC.Number E.C.3.4.21.5
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=0.016nM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary Reference Acta Crystallogr., Sect.D v56 pp. 294-303, 2000
Ligand Properties
Formula C30H37N6O3
Molecular Weight 529.653
Exact Mass 529.293
No. of atoms 76
No. of bonds 80
Polar Surface Area 129.64
LOGP Value 4.65      (Computed with XLOGP3)
2.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
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): P00734  
Entrez Gene IDNCBI Entrez Gene ID: 2147  
ASDInformation of known allosteric effects of PDB entries

 
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