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Target
Endoplasmin
Ligand
BDBM50169864
Substrate
n/a
Meas. Tech.
ChEMBL_1576891 (CHEMBL3806600)
Kd
4700±n/a nM
Citation
 Crowley, VM; Khandelwal, A; Mishra, S; Stothert, AR; Huard, DJ; Zhao, J; Muth, A; Duerfeldt, AS; Kizziah, JL; Lieberman, RL; Dickey, CA; Blagg, BS Development of Glucose Regulated Protein 94-Selective Inhibitors Based on the BnIm and Radamide Scaffold. J Med Chem 59:3471-88 (2016) [PubMed]  Article 
Target
Name:
Endoplasmin
Synonyms:
94 kDa glucose-regulated protein | ENPL_HUMAN | GRP-94 | GRP94 | Glucose regulated protein 94kDa (Grp94) | HSP90B1 | Heat shock protein 90 kDa beta member 1 | TRA1 | Tumor rejection antigen 1 | gp96 homolog
Type:
Protein
Mol. Mass.:
92417.36
Organism:
Human
Description:
P14625
Residue:
803
Sequence:
MRALWVLGLCCVLLTFGSVRADDEVDVDGTVEEDLGKSREGSRTDDEVVQREEEAIQLDGLNASQIRELREKSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISLTDENALSGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTIAKSGTSEFLNKMTEAQEDGQSTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQHIWESDSNEFSVIADPRGNTLGRGTTITLVLKEEASDYLELDTIKNLVKKYSQFINFPIYVWSSKTETVEEPMEEEEAAKEEKEESDDEAAVEEEEEEKKPKTKKVEKTVWDWELMNDIKPIWQRPSKEVEEDEYKAFYKSFSKESDDPMAYIHFTAEGEVTFKSILFVPTSAPRGLFDEYGSKKSDYIKLYVRRVFITDDFHDMMPKYLNFVKGVVDSDDLPLNVSRETLQQHKLLKVIRKKLVRKTLDMIKKIADDKYNDTFWKEFGTNIKLGVIEDHSNRTRLAKLLRFQSSHHPTDITSLDQYVERMKEKQDKIYFMAGSSRKEAESSPFVERLLKKGYEVIYLTEPVDEYCIQALPEFDGKRFQNVAKEGVKFDESEKTKESREAVEKEFEPLLNWMKDKALKDKIEKAVVSQRLTESPCALVASQYGWSGNMERIMKAQAYQTGKDISTNYYASQKKTFEINPRHPLIRDMLRRIKEDEDDKTVLDLAVVLFETATLRSGYLLPDTKAYGDRIERMLRLSLNIDPDAKVEEEPEEEPEETAEDTTEDTEQDEDEEMDVGTDEEEETAKESTAEKDEL
  
Inhibitor
Name:
BDBM50169864
Synonyms:
CHEMBL3805432
Type:
Small organic molecule
Emp. Form.:
C21H18ClN3O4
Mol. Mass.:
411.838
SMILES:
COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(cc1)C#N
Structure:
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