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Related entries of code: 6h1i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3aclRCSB PDB    PDBbind296aa, >3ACL_1|Chain... at 99%
6h1hRCSB PDB    PDBbind293aa, >6H1H_1|Chain... at 98%
6n0jRCSB PDB    PDBbind301aa, >6N0J_1|Chain... *
6n0kRCSB PDB    PDBbind301aa, >6N0K_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 ID6h1i
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePirin
Ligand NameFJH
EC.Number E.C.-.-.-.-
Resolution 1.69(Å)
Affinity (Kd/Ki/IC50)IC50=0.044uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) ACS Med Chem Lett Vol. 9: pp. 1199-1204
Ligand Properties
Formula C27H23N3O4
Molecular Weight 453.489
Exact Mass 453.169
No. of atoms 57
No. of bonds 61
Polar Surface Area 89.55
LOGP Value 4.34      (Computed with XLOGP3)
5.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
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): O00625  
Entrez Gene IDNCBI Entrez Gene ID: 8544  
ASDInformation of known allosteric effects of PDB entries
 
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