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Target
Endoplasmin
Ligand
BDBM50587114
Substrate
n/a
Meas. Tech.
ChEMBL_2170974 (CHEMBL5056108)
IC50
313±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:
BDBM50587114
Synonyms:
CHEMBL5087678
Type:
Small organic molecule
Emp. Form.:
C19H26N2O2
Mol. Mass.:
314.4219
SMILES:
CC(C)CC#Cc1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O |r,wU:11.10,wD:14.14,(33.7,-19.29,;33.71,-17.75,;35.05,-17,;32.39,-16.97,;32.4,-15.43,;32.42,-13.9,;32.42,-12.36,;33.75,-11.58,;33.75,-10.03,;32.41,-9.27,;32.41,-7.73,;33.74,-6.96,;33.74,-5.42,;35.07,-4.65,;36.41,-5.42,;37.74,-4.65,;36.41,-6.96,;35.08,-7.73,;31.08,-10.04,;31.08,-11.59,;29.75,-9.27,;28.42,-10.04,;29.75,-7.73,)|
Structure:
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