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Related entries of code: 3q3b
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1q3dRCSB PDB    PDBbind424aa, >1Q3D:B|PDBID|CHAIN|... at 99%
1q3wRCSB PDB    PDBbind424aa, >1Q3W:B|PDBID|CHAIN|... at 99%
1q41RCSB PDB    PDBbind424aa, >1Q41:B|PDBID|CHAIN|... at 99%
1q4lRCSB PDB    PDBbind424aa, >1Q4L:B|PDBID|CHAIN|... at 99%
1q5kRCSB PDB    PDBbind414aa, >1Q5K:B|PDBID|CHAIN|... at 100%
1uv5RCSB PDB    PDBbind350aa, >1UV5:A|PDBID|CHAIN|... at 99%
2jldRCSB PDB    PDBbind420aa, >2JLD:B|PDBID|CHAIN|... at 100%
2o5kRCSB PDB    PDBbind372aa, >2O5K:A|PDBID|CHAIN|... at 98%
2ow3RCSB PDB    PDBbind352aa, >2OW3:B|PDBID|CHAIN|... at 100%
3du8RCSB PDB    PDBbind422aa, >3DU8:B|PDBID|CHAIN|... at 99%
3f7zRCSB PDB    PDBbind350aa, >3F7Z:B|PDBID|CHAIN|... at 99%
3f88RCSB PDB    PDBbind349aa, >3F88:B|PDBID|CHAIN|... at 99%
3gb2RCSB PDB    PDBbind353aa, >3GB2:A|PDBID|CHAIN|... at 99%
3i4bRCSB PDB    PDBbind414aa, >3I4B:B|PDBID|CHAIN|... at 100%
3l1sRCSB PDB    PDBbind414aa, >3L1S:B|PDBID|CHAIN|... at 100%
3m1sRCSB PDB    PDBbind420aa, >3M1S:B|PDBID|CHAIN|... at 100%
3pupRCSB PDB    PDBbind420aa, >3PUP:B|PDBID|CHAIN|... at 100%
4accRCSB PDB    PDBbind465aa, >4ACC:B|PDBID|CHAIN|... at 100%
4acdRCSB PDB    PDBbind465aa, >4ACD:B|PDBID|CHAIN|... at 100%
4acgRCSB PDB    PDBbind465aa, >4ACG:B|PDBID|CHAIN|... at 100%
4achRCSB PDB    PDBbind465aa, >4ACH:B|PDBID|CHAIN|... at 100%
4iq6RCSB PDB    PDBbind426aa, >4IQ6:B|PDBID|CHAIN|... at 99%
4ptcRCSB PDB    PDBbind441aa, >4PTC:B|PDBID|CHAIN|... at 98%
4pteRCSB PDB    PDBbind441aa, >4PTE:B|PDBID|CHAIN|... at 98%
4ptgRCSB PDB    PDBbind441aa, >4PTG:B|PDBID|CHAIN|... at 98%
5f94RCSB PDB    PDBbind350aa, >5F94:B|PDBID|CHAIN|... at 100%
5f95RCSB PDB    PDBbind350aa, >5F95:B|PDBID|CHAIN|... at 100%
5hlnRCSB PDB    PDBbind424aa, >5HLN:B|PDBID|CHAIN|... at 99%
5hlpRCSB PDB    PDBbind424aa, >5HLP:B|PDBID|CHAIN|... at 99%
5k5nRCSB PDB    PDBbind370aa, >5K5N:B|PDBID|CHAIN|... at 96%
5kpkRCSB PDB    PDBbind424aa, >5KPK:B|PDBID|CHAIN|... at 99%
5kplRCSB PDB    PDBbind424aa, >5KPL:B|PDBID|CHAIN|... at 99%
5kpmRCSB PDB    PDBbind424aa, >5KPM:B|PDBID|CHAIN|... at 99%
5t31RCSB PDB    PDBbind420aa, >5T31:B|PDBID|CHAIN|... at 99%
6b8jRCSB PDB    PDBbind420aa, >6B8J:A|PDBID|CHAIN|... at 100%
6gn1RCSB PDB    PDBbind368aa, >6GN1:B|PDBID|CHAIN|... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3dcvRCSB PDB    PDBbind55E

Entry Information
PDB ID3q3b
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameGlycogen synthase kinase-3 beta,GSK-3-beta
Ligand Name55E
EC.Number E.C.2.7.11.1
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50=17.2nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference(2011) Bioorg.Med.Chem.Lett. Vol. 21: pp. 1429-1433
Ligand Properties
Formula C17H14N2O2
Molecular Weight 278.305
Exact Mass 278.106
No. of atoms 35
No. of bonds 37
Polar Surface Area 65.98
LOGP Value 2.90      (Computed with XLOGP3)
3.12      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
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): P49841  
Entrez Gene IDNCBI Entrez Gene ID: 2932  
ASDInformation of known allosteric effects of PDB entries

 
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