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Related entries of code: 3b92
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1zxcRCSB PDB    PDBbind263aa, >1ZXC_1|Chains... at 100%
2a8hRCSB PDB    PDBbind271aa, >2A8H_1|Chains... at 100%
2ddfRCSB PDB    PDBbind257aa, >2DDF_1|Chains... at 99%
2fv5RCSB PDB    PDBbind261aa, >2FV5_1|Chains... at 99%
2fv9RCSB PDB    PDBbind258aa, >2FV9_1|Chains... at 99%
2i47RCSB PDB    PDBbind288aa, >2I47_1|Chains... *
2oi0RCSB PDB    PDBbind266aa, >2OI0_1|Chain... at 98%
3e8rRCSB PDB    PDBbind271aa, >3E8R_1|Chains... at 99%
3ewjRCSB PDB    PDBbind271aa, >3EWJ_1|Chains... at 99%
3g42RCSB PDB    PDBbind288aa, >3G42_1|Chains... at 100%
3kmcRCSB PDB    PDBbind270aa, >3KMC_1|Chains... at 99%
3kmeRCSB PDB    PDBbind270aa, >3KME_1|Chains... at 99%
3l0vRCSB PDB    PDBbind270aa, >3L0V_1|Chains... at 99%
3le9RCSB PDB    PDBbind270aa, >3LE9_1|Chains... at 99%
3leaRCSB PDB    PDBbind270aa, >3LEA_1|Chains... at 99%
3lgpRCSB PDB    PDBbind270aa, >3LGP_1|Chains... at 99%
3o64RCSB PDB    PDBbind270aa, >3O64_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3b92
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameADAM 17
Ligand Name440
EC.Number E.C.3.4.24.86
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=10nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference Bioorg.Med.Chem.Lett. 18: 44-8
Ligand Properties
Formula C13H16O3S2
Molecular Weight 284.394
Exact Mass 284.054
No. of atoms 34
No. of bonds 34
Polar Surface Area 90.55
LOGP Value 2.40      (Computed with XLOGP3)
3.26      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
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): P78536  
Entrez Gene IDNCBI Entrez Gene ID: 6868  
ASDInformation of known allosteric effects of PDB entries
 
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