Reaction Details Report a problem with these data
Target
Endoplasmin
Ligand
BDBM210958
Substrate
n/a
Meas. Tech.
Fluorescence Polarization (FP) Assay
pH
7.3±n/a
Kd
4.2e+3± 2.3e+2 nM
Comments
extracted
Citation
 Mishra, SJ; Ghosh, S; Stothert, AR; Dickey, CA; Blagg, BS Transformation of the Non-Selective Aminocyclohexanol-Based Hsp90 Inhibitor into a Grp94-Seletive Scaffold. ACS Chem Biol 12:244-253 (2017) [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:
Homo sapiens (Human)
Description:
P14625
Residue:
803
Sequence:
MRALWVLGLCCVLLTFGSVRADDEVDVDGTVEEDLGKSREGSRTDDEVVQREEEAIQLDGLNASQIRELREKSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISLTDENALSGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTIAKSGTSEFLNKMTEAQEDGQSTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQHIWESDSNEFSVIADPRGNTLGRGTTITLVLKEEASDYLELDTIKNLVKKYSQFINFPIYVWSSKTETVEEPMEEEEAAKEEKEESDDEAAVEEEEEEKKPKTKKVEKTVWDWELMNDIKPIWQRPSKEVEEDEYKAFYKSFSKESDDPMAYIHFTAEGEVTFKSILFVPTSAPRGLFDEYGSKKSDYIKLYVRRVFITDDFHDMMPKYLNFVKGVVDSDDLPLNVSRETLQQHKLLKVIRKKLVRKTLDMIKKIADDKYNDTFWKEFGTNIKLGVIEDHSNRTRLAKLLRFQSSHHPTDITSLDQYVERMKEKQDKIYFMAGSSRKEAESSPFVERLLKKGYEVIYLTEPVDEYCIQALPEFDGKRFQNVAKEGVKFDESEKTKESREAVEKEFEPLLNWMKDKALKDKIEKAVVSQRLTESPCALVASQYGWSGNMERIMKAQAYQTGKDISTNYYASQKKTFEINPRHPLIRDMLRRIKEDEDDKTVLDLAVVLFETATLRSGYLLPDTKAYGDRIERMLRLSLNIDPDAKVEEEPEEEPEETAEDTTEDTEQDEDEEMDVGTDEEEETAKESTAEKDEL
  
Inhibitor
Name:
BDBM210958
Synonyms:
2-(((1r,4r)-4-hydroxycyclohexyl)amino)-4-(2-(2-methylbenzyl)-1H-pyrrol-1-yl)benzamide (8i) | US10975030, Compound 8i
Type:
Small organic molecule
Emp. Form.:
C25H29N3O2
Mol. Mass.:
403.5167
SMILES:
Cc1ccccc1Cc1cccn1-c1ccc(C(N)=O)c(NC2CCC(O)CC2)c1 |(13.44,.18,;13.12,-1.33,;14.27,-2.36,;13.95,-3.87,;12.48,-4.34,;11.34,-3.31,;11.66,-1.8,;10.51,-.77,;9.05,-1.25,;8.57,-2.71,;7.03,-2.71,;6.56,-1.25,;7.8,-.34,;7.8,1.2,;6.47,1.97,;6.47,3.51,;7.8,4.28,;7.8,5.82,;9.14,6.59,;6.47,6.59,;9.14,3.51,;10.47,4.28,;11.8,3.51,;13.14,4.28,;14.47,3.51,;14.47,1.97,;15.8,1.2,;13.14,1.2,;11.8,1.97,;9.14,1.97,)|
Structure:
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