Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetEndoplasmin
LigandBDBM50180302
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2116000 (CHEMBL4824941)
IC50 132±n/a nM
Citation Yang, SYoon, NGKim, DPark, EKim, SYLee, JHLee, CKang, BHKang, S Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity. ACS Med Chem Lett12:1173-1180 (2021) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Endoplasmin
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:
MRALWVLGLCCVLLTFGSVRADDEVDVDGTVEEDLGKSREGSRTDDEVVQREEEAIQLDG
LNASQIRELREKSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISL
TDENALSGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTIAKSGTSEFLNKMTE
AQEDGQSTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQHIWESDSNEFSVIADPRGNT
LGRGTTITLVLKEEASDYLELDTIKNLVKKYSQFINFPIYVWSSKTETVEEPMEEEEAAK
EEKEESDDEAAVEEEEEEKKPKTKKVEKTVWDWELMNDIKPIWQRPSKEVEEDEYKAFYK
SFSKESDDPMAYIHFTAEGEVTFKSILFVPTSAPRGLFDEYGSKKSDYIKLYVRRVFITD
DFHDMMPKYLNFVKGVVDSDDLPLNVSRETLQQHKLLKVIRKKLVRKTLDMIKKIADDKY
NDTFWKEFGTNIKLGVIEDHSNRTRLAKLLRFQSSHHPTDITSLDQYVERMKEKQDKIYF
MAGSSRKEAESSPFVERLLKKGYEVIYLTEPVDEYCIQALPEFDGKRFQNVAKEGVKFDE
SEKTKESREAVEKEFEPLLNWMKDKALKDKIEKAVVSQRLTESPCALVASQYGWSGNMER
IMKAQAYQTGKDISTNYYASQKKTFEINPRHPLIRDMLRRIKEDEDDKTVLDLAVVLFET
ATLRSGYLLPDTKAYGDRIERMLRLSLNIDPDAKVEEEPEEEPEETAEDTTEDTEQDEDE
EMDVGTDEEEETAKESTAEKDEL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50180302
n/a
NameBDBM50180302
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
TypeSmall organic molecule
Emp. Form.C18H21IN6O2S
Mol. Mass.512.368
SMILESCC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)ncnc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: