Browse entries in the PDBbind-CN Database

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Related entries of code: 6cqf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6ng0RCSB PDB    PDBbind309aa, >6NG0_1|Chains... at 99%
6nfzRCSB PDB    PDBbind309aa, >6NFZ_1|Chains... *
6nfyRCSB PDB    PDBbind300aa, >6NFY_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6cqf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHematopoietic Progenitor Kinase-1
Ligand NameF97
EC.Number E.C.2.7.11.1
Resolution 2.25(Å)
Affinity (Kd/Ki/IC50)IC50=4.5nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Structure Vol. 27: pp. 125-133.e4
Ligand Properties
Formula C21H27F2N8
Molecular Weight 429.489
Exact Mass 429.233
No. of atoms 58
No. of bonds 62
Polar Surface Area 88.37
LOGP Value 2.74      (Computed with XLOGP3)
4.15      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
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): Q92918  
Entrez Gene IDNCBI Entrez Gene ID: 11184  
ASDInformation of known allosteric effects of PDB entries
 
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