Browse entries in the PDBbind-CN Database

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Related entries of code: 6r9u
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4j58RCSB PDB    PDBbind164aa, >4J58_1|Chain... at 100%
4j59RCSB PDB    PDBbind164aa, >4J59_1|Chain... at 100%
4j5bRCSB PDB    PDBbind164aa, >4J5B_1|Chain... at 100%
4j5cRCSB PDB    PDBbind164aa, >4J5C_1|Chain... at 100%
4j5dRCSB PDB    PDBbind164aa, >4J5D_1|Chain... at 100%
4j5eRCSB PDB    PDBbind164aa, >4J5E_1|Chain... at 100%
6ra1RCSB PDB    PDBbind164aa, >6RA1_1|Chain... at 100%
6r9xRCSB PDB    PDBbind164aa, >6R9X_1|Chain... at 100%
6r9sRCSB PDB    PDBbind164aa, >6R9S_1|Chain... at 100%
6r8wRCSB PDB    PDBbind164aa, >6R8W_1|Chain... at 100%
6r8oRCSB PDB    PDBbind164aa, >6R8O_1|Chain... at 100%
6r8lRCSB PDB    PDBbind164aa, >6R8L_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6ra1RCSB PDB    PDBbindJVQ
Entry Information
PDB ID6r9u
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman Cyclophilin D
Ligand NameJVQ
EC.Number E.C.5.2.1.8
Resolution 1.26(Å)
Affinity (Kd/Ki/IC50)Kd=7.5mM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Bioorg.Med.Chem.Lett. Vol. 29: pp. 126717-126717
Ligand Properties
Formula C13H16N2O3
Molecular Weight 248.278
Exact Mass 248.116
No. of atoms 34
No. of bonds 36
Polar Surface Area 50.8
LOGP Value 1.09      (Computed with XLOGP3)
1.66      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 5
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): P30405  
Entrez Gene IDNCBI Entrez Gene ID: 10105  
ASDInformation of known allosteric effects of PDB entries
 
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