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Target
Endoplasmin
Ligand
BDBM50180302
Substrate
n/a
Meas. Tech.
ChEMBL_1981019 (CHEMBL4614281)
IC50
301±n/a nM
Citation
 Jung, S; Yoon, NG; Yang, S; Kim, D; Lee, WS; Hong, KB; Lee, C; Kang, BH; Lee, JH; Kang, S Discovery of 2-((4-resorcinolyl)-5-aryl-1,2,3-triazol-1-yl)acetates as potent Hsp90 inhibitors with selectivity over TRAP1. Bioorg Med Chem Lett 30:0 (2020) [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:
BDBM50180302
Synonyms:
8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)adenine | 8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9-(3-(isopropylamino)propyl)-9H-purin-6-amine | 8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE | CHEMBL200102 | US10336757, Compound PU-H71 | US10676476, Example 9
Type:
Small organic molecule
Emp. Form.:
C18H21IN6O2S
Mol. Mass.:
512.368
SMILES:
CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)ncnc12
Structure:
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