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Related entries of code: 1r1j
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1dmtRCSB PDB    PDBbind696aa, >1DMT_1|Chain... *
1r1hRCSB PDB    PDBbind696aa, >1R1H_1|Chain... at 100%
1r1iRCSB PDB    PDBbind696aa, >1R1I_1|Chain... at 100%
2qpjRCSB PDB    PDBbind696aa, >2QPJ_1|Chain... at 100%
2yb9RCSB PDB    PDBbind696aa, >2YB9_1|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 ID1r1j
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameneprilysin
Ligand NameOIR
EC.Number E.C.
Resolution 2.35(Å)
Affinity (Kd/Ki/IC50)Ki=2.3nM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference Acta Crystallogr., Sect.D v60 pp. 392-6, 2004
Ligand Properties
Formula C21H24N2O4S
Molecular Weight 400.491
Exact Mass 400.146
No. of atoms 52
No. of bonds 53
Polar Surface Area 134.3
LOGP Value 4.07      (Computed with XLOGP3)
2.63      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
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): P08473  
Entrez Gene IDNCBI Entrez Gene ID: 4311  
ASDInformation of known allosteric effects of PDB entries

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