Browse entries in the PDBbind-CN Database

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Related entries of code: 6qas
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4wnoRCSB PDB    PDBbind287aa, >4WNO_1|Chain... *
4wnpRCSB PDB    PDBbind287aa, >4WNP_1|Chains... at 100%
5ci7RCSB PDB    PDBbind287aa, >5CI7_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4qmvRCSB PDB    PDBbind34W
5vd2RCSB PDB    PDBbind34W

Entry Information
PDB ID6qas
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameSerine/threonine-protein kinase ULK1
Ligand Name34W
EC.Number E.C.2.7.11.1
Resolution 1.75(Å)
Affinity (Kd/Ki/IC50)Kd=18.1nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Biochem.J. Vol. 476: pp. 875-887
Ligand Properties
Formula C23H25F3N6O2
Molecular Weight 474.479
Exact Mass 474.199
No. of atoms 59
No. of bonds 63
Polar Surface Area 99.25
LOGP Value 2.96      (Computed with XLOGP3)
4.53      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
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): O75385  
Entrez Gene IDNCBI Entrez Gene ID: 8408  
ASDInformation of known allosteric effects of PDB entries

 
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