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Related entries of code: 3vw6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
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%
5vilRCSB PDB    PDBbind293aa, >5VIL_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 ID3vw6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman apoptosis signal-regulating kinase 1 (ASK1)
Ligand NameIM6
EC.Number E.C.2.7.11.25
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50=14nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Bioorg.Med.Chem.Lett. Vol. 22: pp. 7326-7329
Ligand Properties
Formula C21H22N5O
Molecular Weight 360.432
Exact Mass 360.182
No. of atoms 49
No. of bonds 52
Polar Surface Area 66.81
LOGP Value 4.53      (Computed with XLOGP3)
3.56      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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): Q99683  
Entrez Gene IDNCBI Entrez Gene ID: 4217  
ASDInformation of known allosteric effects of PDB entries
 
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