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Target
Endoplasmin
Ligand
BDBM21220
Substrate
n/a
Meas. Tech.
ChEMBL_1743109 (CHEMBL4158859)
Kd
200±n/a nM
Citation
 Jiang, F; Guo, AP; Xu, JC; You, QD; Xu, XL Discovery of a Potent Grp94 Selective Inhibitor with Anti-Inflammatory Efficacy in a Mouse Model of Ulcerative Colitis. J Med Chem 61:9513-9533 (2018) [PubMed]  Article 
Target
Name:
Endoplasmin
Synonyms:
94 kDa glucose-regulated protein | 98 kDa protein kinase | ENPL_PIG | Endoplasmin | GRP-94 | GRP94 | GRP94 | HSP90B1 | Heat shock protein 90 kDa beta member 1 | PPK 98 | TRA1 | gp96 homolog | ppk98
Type:
PROTEIN
Mol. Mass.:
92418.20
Organism:
Sus scrofa
Description:
ChEMBL_109618
Residue:
804
Sequence:
MRALWVLGLCCVLLTFGSVRAEDEVDVDGTVEEDLGKSREGSRTDDEVVQREEEAIQLDGLNASQIRELREKSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISLTDENALAGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTIAKSGTSEFLNKMAEAQEDGQSTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQHIWESDSNEFSVIADPRGNTLGRGTTITLVLKEEASDYLELDTIKNLVKKYSQFINFPIYVWSSKTETVEEPMEEEEAAKEEKEESDDEAAVEEEEEEKKPKTKKVEKTVWDWELMNDIKPIWQRPSKEVEDDEYKAFYKSFSKESDDPMAYIHFTAEGEVTFKSILFVPTSAPRGLFDEYGSKKSDYIKLYVRRVFITDDFHDMMPKYLNFVKGVVDSDDLPLNVSRETLQQHKLLKVIRKKLVRKTLDMIKKIADEKYNDTFWKEFGTNIKLGVIEDHSNRTRLAKLLRFQSSHHPSDITSLDQYVERMKEKQDKIYFMAGSSRKEAESSPFVERLLKKGYEVIYLTEPVDEYCIQALPEFDGKRFQNVAKEGVKFDESEKSKENREAVEKEFEPLLNWMKDKALKDKIEKAVVSQRLTESPCALVASQYGWSGNMERIMKAQAYQTGKDISTNYYASQKKTFEINPRHPLIRDMLRRVKEDEDDKTVSDLAVVLFETATLRSGYLLPDTKAYGDRIERMLRLSLNIDPDAKVEEEPEEEPEETTEDTTEDTEQDDDEEMDAGADEEEQETSETSTAEKDEL
  
Inhibitor
Name:
BDBM21220
Synonyms:
(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide | Adenosine analog, 3 | Adenosine, N6-Ethyl-carboxamido | Adenosine-5-(N-ethylcarboxamide) | CHEMBL464859 | N-Ethylcarboxamidoadenosine | NECA
Type:
Antineoplastic Agent
Emp. Form.:
C12H16N6O4
Mol. Mass.:
308.2932
SMILES:
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Structure:
Search PDB for entries with ligand similarity: