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Target
Endoplasmic reticulum chaperone BiP
Ligand
BDBM82125
Substrate
n/a
Meas. Tech.
SPR assay
pH
7.4±0
Temperature
298.15±0 K
Kd
9.9e+2±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:
BDBM82125
Synonyms:
(2R,3R,4S,5R)-2-(6-Amino-8-methylaminopurin-9-yl)-5- benzyloxymethyltetrahydrofuran-3,4-diol | adenosine-derived inhibitor (Grp78), 4
Type:
Small organic molecule
Emp. Form.:
C18H22N6O4
Mol. Mass.:
386.4051
SMILES:
CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@H]1O |r|
Structure:
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