Reaction Details Report a problem with these data
Target
Endoplasmic reticulum chaperone BiP
Ligand
BDBM82128
Substrate
n/a
Meas. Tech.
SPR assay
pH
7.4±0
Temperature
298.15±0 K
Kd
1.236e+4±n/a nM
KOFF
>1 s-1
Citation
 Macias, AT; Williamson, DS; Allen, N; Borgognoni, J; Clay, A; Daniels, Z; Dokurno, P; Drysdale, MJ; Francis, GL; Graham, CJ; Howes, R; Matassova, N; Murray, JB; Parsons, R; Shaw, T; Surgenor, AE; Terry, L; Wang, Y; Wood, M; Massey, 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 
Target
Name:
Endoplasmic reticulum chaperone BiP
Synonyms:
3.6.4.10 | 78 kDa glucose-regulated protein | BIP_HUMAN | 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
  
Inhibitor
Name:
BDBM82128
Synonyms:
2-[(2R,3S,4R,5R)-5-(6-Amino-8-methylaminopurin-9-yl)- 3,4-dihydroxytetrahydrofuran-2-ylmethoxy]acetamide | adenosine-derived inhibitor (Grp78), 7
Type:
Small organic molecule
Emp. Form.:
C13H19N7O5
Mol. Mass.:
353.3339
SMILES:
CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COCC(N)=O)[C@@H](O)[C@H]1O |r|
Structure:
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