Cell Reactant:
Grp78
Syringe Reactant:
BDBM32381
Meas. Tech.:
Enzyme Inhibition
Entry Date.:
12/08/11
pH:
7.4±0
Log10Kb:
-?
Temperature:
298.15±0 (K)
ΔH° :
-73.3±0 (kJ/mole)
ΔS° :
-0.112±0 (kJ/mole-K)
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 Chem 54:4034-41 (2011) [PubMed]  Article
Cell React
Name:
Endoplasmic reticulum chaperone BiP
Synonyms:
3.6.4.10 | 78 kDa glucose-regulated protein | BiP | Binding-immunoglobulin protein | Endoplasmic reticulum chaperone BiP | Endoplasmic reticulum lumenal Ca(2+)-binding protein grp78 | GRP-78 | Grp78 | HSP70 family protein 5 | HSPA5 | Heat shock 70 kDa protein 5 | Heat shock protein 70 family protein 5 | Heat shock protein family A member 5 | Immunoglobulin heavy chain-binding protein | Synonyms=GRP78
Type:
n/a
Mol. Mass.:
72312.92
Organism:
Homo sapiens (Human)
Description:
P11021
Residue:
654
Sequence:
MKLSLVAAMLLLLSAARAEEEDKKEDVGTVVGIDLGTTYSCVGVFKNGRVEIIANDQGNRITPSYVAFTPEGERLIGDAAKNQLTSNPENTVFDAKRLIGRTWNDPSVQQDIKFLPFKVVEKKTKPYIQVDIGGGQTKTFAPEEISAMVLTKMKETAEAYLGKKVTHAVVTVPAYFNDAQRQATKDAGTIAGLNVMRIINEPTAAAIAYGLDKREGEKNILVFDLGGGTFDVSLLTIDNGVFEVVATNGDTHLGGEDFDQRVMEHFIKLYKKKTGKDVRKDNRAVQKLRREVEKAKRALSSQHQARIEIESFYEGEDFSETLTRAKFEELNMDLFRSTMKPVQKVLEDSDLKKSDIDEIVLVGGSTRIPKIQQLVKEFFNGKEPSRGINPDEAVAYGAAVQAGVLSGDQDTGDLVLLDVCPLTLGIETVGGVMTKLIPRNTVVPTKKSQIFSTASDNQPTVTIKVYEGERPLTKDNHLLGTFDLTGIPPAPRGVPQIEVTFEIDVNGILRVTAEDKGTGNKNKITITNDQNRLTPEEIERMVNDAEKFAEEDKKLKERIDTRNELESYAYSLKNQIGDKEKLGGKLSSEDKETMEKAVEEKIEWLESHQDADIEDFKAKKKELEEIVQPIISKLYGSAGPPPTGEEDTAEKDEL
  
Syringe React
Name:
BDBM32381
Synonyms:
adenosine-derived inhibitor (Grp78), 14 | adenosine-derived inhibitor, 15
Type:
Small organic molecule
Emp. Form.:
C28H26N8O4
Mol. Mass.:
538.5572
SMILES:
Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12 |r|
Structure:
Search PDB for entries with ligand similarity: