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Related entries of code: 6qme
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5cgjRCSB PDB    PDBbind336aa, >5CGJ_1|Chain... *
6qmkRCSB PDB    PDBbind321aa, >6QMK_1|Chain... at 98%
6qmjRCSB PDB    PDBbind321aa, >6QMJ_1|Chain... at 98%
6qmdRCSB PDB    PDBbind321aa, >6QMD_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6qme
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameKelch-like ECH-associated protein 1, KEAP1
Ligand NameJ6Q
EC.Number E.C.-.-.-.-
Resolution 1.81(Å)
Affinity (Kd/Ki/IC50)IC50=44uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 4683-4702
Ligand Properties
Formula C17H16ClN3O2
Molecular Weight 329.781
Exact Mass 329.093
No. of atoms 39
No. of bonds 41
Polar Surface Area 68.01
LOGP Value 4.76      (Computed with XLOGP3)
3.54      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
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): Q9Z2X8  
Entrez Gene IDNCBI Entrez Gene ID: 50868  
ASDInformation of known allosteric effects of PDB entries

 
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