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Target
Endoplasmin
Ligand
BDBM50587116
Substrate
n/a
Meas. Tech.
ChEMBL_2170974 (CHEMBL5056108)
IC50
205±n/a nM
Citation
 Xu, S; Guo, A; Chen, NN; Dai, W; Yang, HA; Xie, W; Wang, M; You, QD; Xu, XL Design and synthesis of Grp94 selective inhibitors based on Phe199 induced fit mechanism and their anti-inflammatory effects. Eur J Med Chem 223:0 (2021) [PubMed]  Article 
Target
Name:
Endoplasmin
Synonyms:
ENPL_CANLF | GRP94 | HSP90B1 | Heat shock protein 90 beta | TRA1
Type:
PROTEIN
Mol. Mass.:
92464.42
Organism:
Canis familiaris
Description:
ChEMBL_1478277
Residue:
804
Sequence:
MRALWVLGLCCVLLTFGSVRADDEVDVDGTVEEDLGKSREGSRTDDEVVQREEEAIQLDGLNASQIRELREKSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISLTDENALAGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTIAKSGTSEFLNKMTEAQEDGQSTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQHIWESDSNEFSVIADPRGNTLGRGTTITLVLKEEASDYLELDTIKNLVKKYSQFINFPIYVWSSKTETVEEPMEEEEAAKEEKEDSDDEAAVEEEEEEKKPKTKKVEKTVWDWELMNDIKPIWQRPSKEVEDDEYKAFYKSFSKESDDPMAYIHFTAEGEVTFKSILFVPTSAPRGLFDEYGSKKSDYIKLYVRRVFITDDFHDMMPKYLNFVKGVVDSDDLPLNVSRETLQQHKLLKVIRKKLVRKTLDMIKKIADEKYNDTFWKEFGTNIKLGVIEDHSNRTRLAKLLRFQSSHHPSDITSLDQYVERMKEKQDKIYFMAGSSRKEAESSPFVERLLKKGYEVIYLTEPVDEYCIQALPEFDGKRFQNVAKEGVKFDESEKTKESREAIEKEFEPLLNWMKDKALKDKIEKAVVSQRLTESPCALVASQYGWSGNMERIMKAQAYQTGKDISTNYYASQKKTFEINPRHPLIKDMLRRVKEDEDDKTVSDLAVVLFETATLRSGYLLPDTKAYGDRIERMLRLSLNIDPDAKVEEEPEEEPEETTEDTTEDTEQDDEEEMDAGTDDEEQETVKKSTAEKDEL
  
Inhibitor
Name:
BDBM50587116
Synonyms:
CHEMBL5084235
Type:
Small organic molecule
Emp. Form.:
C18H23ClN2O2
Mol. Mass.:
334.84
SMILES:
NC(=O)c1cc(ccc1N[C@H]1CC[C@H](O)CC1)C#CCCCCl |r,wU:10.10,wD:13.14,(55.07,-9.7,;56.4,-8.93,;56.4,-7.39,;57.74,-9.7,;57.73,-11.24,;59.07,-12.01,;60.41,-11.24,;60.4,-9.69,;59.06,-8.93,;59.06,-7.39,;60.39,-6.61,;60.39,-5.08,;61.73,-4.31,;63.06,-5.08,;64.4,-4.31,;63.06,-6.62,;61.73,-7.39,;59.07,-13.55,;59.05,-15.09,;59.04,-16.63,;60.36,-17.41,;60.35,-18.95,;61.68,-19.73,)|
Structure:
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