Browse entries in the PDBbind-CN Database

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Related entries of code: 6gi6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4bggRCSB PDB    PDBbind301aa, >4BGG_1|Chains... *
5oxgRCSB PDB    PDBbind301aa, >5OXG_1|Chains... at 100%
6ginRCSB PDB    PDBbind301aa, >6GIN_1|Chains... at 100%
6gipRCSB PDB    PDBbind301aa, >6GIP_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 ID6gi6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameALK2
Ligand NameEZB
EC.Number E.C.-.-.-.-
Resolution 1.98(Å)
Affinity (Kd/Ki/IC50)IC50=0.194uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 7261-7272
Ligand Properties
Formula C18H15N3O
Molecular Weight 289.331
Exact Mass 289.122
No. of atoms 37
No. of bonds 40
Polar Surface Area 54.02
LOGP Value 3.31      (Computed with XLOGP3)
3.79      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
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): Q04771  
Entrez Gene IDNCBI Entrez Gene ID: 90  
ASDInformation of known allosteric effects of PDB entries
 
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