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Related entries of code: 5vil
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3vw6RCSB PDB    PDBbind269aa, >3VW6_1|Chains... at 99%
4bhnRCSB PDB    PDBbind334aa, >4BHN_1|Chains... *
4bibRCSB PDB    PDBbind318aa, >4BIB_1|Chains... at 100%
4bicRCSB PDB    PDBbind318aa, >4BIC_1|Chains... at 100%
4bidRCSB PDB    PDBbind318aa, >4BID_1|Chains... at 100%
4bieRCSB PDB    PDBbind318aa, >4BIE_1|Chains... at 100%
5uorRCSB PDB    PDBbind270aa, >5UOR_1|Chains... at 99%
5uoxRCSB PDB    PDBbind271aa, >5UOX_1|Chains... at 99%
5up3RCSB PDB    PDBbind271aa, >5UP3_1|Chains... at 99%
5v19RCSB PDB    PDBbind271aa, >5V19_1|Chains... at 99%
5v24RCSB PDB    PDBbind271aa, >5V24_1|Chains... at 99%
5vioRCSB PDB    PDBbind293aa, >5VIO_1|Chains... at 99%
6e2mRCSB PDB    PDBbind295aa, >6E2M_1|Chains... at 98%
6e2nRCSB PDB    PDBbind295aa, >6E2N_1|Chains... at 98%
6e2oRCSB PDB    PDBbind295aa, >6E2O_1|Chains... at 98%
6oywRCSB PDB    PDBbind294aa, >6OYW_1|Chains... at 99%
6oytRCSB PDB    PDBbind280aa, >6OYT_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5vil
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMitogen-activated protein kinase kinase kinase 5
Ligand Name9E1
EC.Number E.C.2.7.11.25
Resolution 2.64(Å)
Affinity (Kd/Ki/IC50)IC50=1.5nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Eur J Med Chem Vol. 145: pp. 606-621
Ligand Properties
Formula C18H20N6O4S
Molecular Weight 416.454
Exact Mass 416.127
No. of atoms 49
No. of bonds 51
Polar Surface Area 150.47
LOGP Value 0.46      (Computed with XLOGP3)
3.68      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 10
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): Q99683  
Entrez Gene IDNCBI Entrez Gene ID: 4217  
ASDInformation of known allosteric effects of PDB entries
 
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