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Related entries of code: 6gin
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%
6gi6RCSB PDB    PDBbind301aa, >6GI6_1|Chain... 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 ID6gin
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameALK2
Ligand NameIR2
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=0.032uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 7261-7272
Ligand Properties
Formula C27H23N4O2
Molecular Weight 435.497
Exact Mass 435.182
No. of atoms 56
No. of bonds 61
Polar Surface Area 63.15
LOGP Value 3.92      (Computed with XLOGP3)
4.72      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 6
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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