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Cell Reactant:Grp78
Syringe Reactant:BDBM82124
Meas. Tech.:Enzyme Inhibition
Entry Date:12/08/11
 
Δ G ° :n/a
pH:7.4±0
Log10Kb:3.58± 3.58
Temperature:298.15±0 (K)
ΔH° :-5.40±0 (kJ/mole)
ΔHobs:n/a
Ionic Strength:n/a
Corrected for ΔHioniz:n/a
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° : 0.0855±0 (kJ/mole-K)
Comments:n/a
 
Citation Macias, ATWilliamson, DSAllen, NBorgognoni, JClay, ADaniels, ZDokurno, PDrysdale, MJFrancis, GLGraham, CJHowes, RMatassova, NMurray, JBParsons, RShaw, TSurgenor, AETerry, LWang, YWood, MMassey, AJ Adenosine-derived inhibitors of 78 kDa glucose regulated protein (Grp78) ATPase: insights into isoform selectivity. J Med Chem54:4034-41 (2011) [PubMed]  Article
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Data Fit Method ,  Instrument Info
 
Grp78
Source:n/a
Purity:n/a
Prep. Method:n/a
Name:Grp78
Synonyms:78 kDa glucose-regulated protein | BiP | Endoplasmic reticulum lumenal Ca(2+)-binding protein grp78 | GRP-78 | HSPA5 | Heat shock 70 kDa protein 5 | Immunoglobulin heavy chain-binding protein
Type:n/a
Mol. Mass.:72312.92
Organism:Homo sapiens (Human)
Description:P11021
Residue:654
Sequence:
MKLSLVAAMLLLLSAARAEEEDKKEDVGTVVGIDLGTTYSCVGVFKNGRVEIIANDQGNR
ITPSYVAFTPEGERLIGDAAKNQLTSNPENTVFDAKRLIGRTWNDPSVQQDIKFLPFKVV
EKKTKPYIQVDIGGGQTKTFAPEEISAMVLTKMKETAEAYLGKKVTHAVVTVPAYFNDAQ
RQATKDAGTIAGLNVMRIINEPTAAAIAYGLDKREGEKNILVFDLGGGTFDVSLLTIDNG
VFEVVATNGDTHLGGEDFDQRVMEHFIKLYKKKTGKDVRKDNRAVQKLRREVEKAKRALS
SQHQARIEIESFYEGEDFSETLTRAKFEELNMDLFRSTMKPVQKVLEDSDLKKSDIDEIV
LVGGSTRIPKIQQLVKEFFNGKEPSRGINPDEAVAYGAAVQAGVLSGDQDTGDLVLLDVC
PLTLGIETVGGVMTKLIPRNTVVPTKKSQIFSTASDNQPTVTIKVYEGERPLTKDNHLLG
TFDLTGIPPAPRGVPQIEVTFEIDVNGILRVTAEDKGTGNKNKITITNDQNRLTPEEIER
MVNDAEKFAEEDKKLKERIDTRNELESYAYSLKNQIGDKEKLGGKLSSEDKETMEKAVEE
KIEWLESHQDADIEDFKAKKKELEEIVQPIISKLYGSAGPPPTGEEDTAEKDEL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM82124
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM82124
Synonyms:adenosine-derived inhibitor (Grp78), 1
TypeSmall organic molecule
Emp. Form.C10H14N5O10P2
Mol. Mass.426.1937
SMILESNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O |r|
Structure
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Last update November 1, 2007
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