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Related entries of code: 1o0d
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1nzqRCSB PDB    PDBbind11aa, >1NZQ:D|PDBID|CHAIN|... *
2a2xRCSB PDB    PDBbind11aa, >2A2X:P|PDBID|CHAIN|... at 100%
2ankRCSB PDB    PDBbind11aa, >2ANK:P|PDBID|CHAIN|... at 100%
2feqRCSB PDB    PDBbind11aa, >2FEQ:D|PDBID|CHAIN|... at 100%
2fesRCSB PDB    PDBbind11aa, >2FES:D|PDBID|CHAIN|... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1o0d
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namethrombin light chain
Ligand Name163
EC.Number E.C.3.4.21.5
Resolution 2.44(Å)
Affinity (Kd/Ki/IC50)IC50=6.2nM
Release Year2003
Protein/NA SequenceCheck fasta file
Primary Reference Bioorg.Med.Chem.Lett. v13 pp. 2029-33, 2003
Ligand Properties
Formula C23H36N6O4
Molecular Weight 460.570
Exact Mass 460.280
No. of atoms 69
No. of bonds 71
Polar Surface Area 159.86
LOGP Value 1.62      (Computed with XLOGP3)
-1.11      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 10
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): P00734  
Entrez Gene IDNCBI Entrez Gene ID: 2147  
ASDInformation of known allosteric effects of PDB entries

 
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