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Target
Endoplasmin/Heat shock protein 75/Heat shock protein HSP 90-alpha/Heat shock protein HSP 90-beta
Ligand
BDBM265230
Substrate
n/a
Meas. Tech.
Malachite Green ATPase Assay
IC50
<10000±n/a nM
Citation
 Drysdale, MJ; Dymock, BW; Finch, H; Webb, P; McDonald, E; James, KE; Cheung, KM; Matthews, TP Isoxazole compounds as inhibitors of heat shock proteins US Patent  US10413550 Publication Date 9/17/2019 
Target
Name:
Endoplasmin/Heat shock protein 75/Heat shock protein HSP 90-alpha/Heat shock protein HSP 90-beta
Synonyms:
Endoplasmin/Heat shock protein HSP 90-alpha/Heat shock protein HSP 90-beta/Heat shock protein, mitochondrial | HSP90
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 4 components.
Component 1
Name:
Heat shock protein HSP 90-alpha
Synonyms:
HS90A_HUMAN | HSP 86 | HSP86 | HSP90A | HSP90AA1 | HSPC1 | HSPCA | Heat Shock Protein 90 (Hsp90) | Heat shock 86 kDa | Heat shock protein HSP 90 (HSP90) | Heat shock protein HSP 90-alpha (HSP90) | Heat shock protein HSP 90-alpha (HSP90A) | LAP-2 | LPS-associated protein 2 | Lipopolysaccharide-associated protein 2 | Renal carcinoma antigen NY-REN-38 | heat shock protein 90kDa alpha (cytosolic), class A member 1 isoform 2
Type:
Molecular Chaperone
Mol. Mass.:
84623.45
Organism:
Homo sapiens (Human)
Description:
P07900
Residue:
732
Sequence:
MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEDKEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRNPDDITNEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFVPRRAPFDLFENRKKKNNIKLYVRRVFIMDNCEELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNLVKKCLELFTELAEDKENYKKFYEQFSKNIKLGIHEDSQNRKKLSELLRYYTSASGDEMVSLKDYCTRMKENQKHIYYITGETKDQVANSAFVERLRKHGLEVIYMIEPIDEYCVQQLKEFEGKTLVSVTKEGLELPEDEEEKKKQEEKKTKFENLCKIMKDILEKKVEKVVVSNRLVTSPCCIVTSTYGWTANMERIMKAQALRDNSTMGYMAAKKHLEINPDHSIIETLRQKAEADKNDKSVKDLVILLYETALLSSGFSLEDPQTHANRIYRMIKLGLGIDEDDPTADDTSAAVTEEMPPLEGDDDTSRMEEVD
  
Component 2
Name:
Heat shock protein HSP 90-beta
Synonyms:
HS90B_HUMAN | HSP 84 | HSP 90 | HSP90AB1 | HSP90B | HSPC2 | HSPCB | Heat Shock Protein 90 (Hsp90) | Heat shock protein HSP 90 (Hsp90)
Type:
Molecular Chaperone
Mol. Mass.:
83229.45
Organism:
Homo sapiens (Human)
Description:
P08238
Residue:
724
Sequence:
MPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLTDPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTKVILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLEKEREKEISDDEAEEEKGEKEEEDKDDEEKPKIEDVGSDEEDDSGKDKKKKTKKIKEKYIDQEELNKTKPIWTRNPDDITQEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFIPRRAPFDLFENKKKKNNIKLYVRRVFIMDSCDELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNIVKKCLELFSELAEDKENYKKFYEAFSKNLKLGIHEDSTNRRRLSELLRYHTSQSGDEMTSLSEYVSRMKETQKSIYYITGESKEQVANSAFVERVRKRGFEVVYMTEPIDEYCVQQLKEFDGKSLVSVTKEGLELPEDEEEKKKMEESKAKFENLCKLMKEILDKKVEKVTISNRLVSSPCCIVTSTYGWTANMERIMKAQALRDNSTMGYMMAKKHLEINPDHPIVETLRQKAEADKNDKAVKDLVVLLFETALLSSGFSLEDPQTHSNRIYRMIKLGLGIDEDEVAAEEPNAAVPDEIPPLEGDEDASRMEEVD
  
Component 3
Name:
Heat shock protein 75
Synonyms:
A9CPF9_ALLMI | HSP75 | Heat shock protein 75 (HSP75/TRAP1) | Heat shock protein, mitochondrial | TRAP1
Type:
n/a
Mol. Mass.:
80451.37
Organism:
Alligator mississippiensis (American alligator)
Description:
A9CPF9
Residue:
708
Sequence:
MAGELLLLRGGRLWALLRAGRAPAARAPVAGRESTFLQRAALNFPRPQHNLAALAVLTGRNYSTQAAENKDEESLHTIISNTENVKGAASKHEFQAETKKLLDIVARSLYSEKEVFIRELISNGNDALEKLRYKLMSEGKVLPDMEIHLQTDGGKGTITIQDTGIGMTQEELVSNLGTIARSGSKAFLDALQNQAEVNSKIIGQFGVGFYSAFMVADKVEVYSQSAEPGSPGYHWSSDGSGIFEIAEASGVRTGTKIIIHLKEECKVFANEDRVREVVTKYSNFINFPLYLNGKRINTLQALWMMDPKDISEWQHEEFYRFIAQAHDKPRYVLHYKTDAPLNIRSIFYVPEVKPSMFDVSRELGSSVALYSRKILIQTKAEDILPKWLRFLRGVVDSEDIPLNLSRELLQESALIRKLRDVLQKRLIKFFIDQSKKDPEKYAKFFEDYGLFMREGIVTIAEQDVKEDIGKLLRYESSALPAGQLTSLPDYASRMKAGTRNIYYLCAPNRHLAKHSPYFEAMKKKDMEVLFCYEQFDELTLLHLREFDKKKLISVETDIVVDHYKEEKFEDSCPAAEHLTEKEAEDLMAWMRNALGSRITNVKVTPRLDTHPAMITVLEMGAARHFLRMQQLAKTNEERAQILQPTLEINTGHALIKKLNQLRDSEPDLAQLLMDQIYENAMIAAGLNDDPRPMVSRLNELLTKVLEKH
  
Component 4
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:
BDBM265230
Synonyms:
US10413550, Example 41s | US11234987, Example 41s | US9718793, 41s
Type:
Small organic molecule
Emp. Form.:
C24H27ClN4O4
Mol. Mass.:
470.949
SMILES:
CCNC(=O)c1noc(c1-c1ccccc1CN1CCN(C)CC1)-c1cc(Cl)c(O)cc1O |(3.97,-4.3,;3.2,-2.96,;1.66,-2.96,;.89,-1.63,;1.66,-.29,;-.65,-1.63,;-1.55,-2.87,;-3.02,-2.4,;-3.02,-.86,;-1.55,-.38,;-1.15,1.11,;-2.24,2.19,;-1.84,3.68,;-.36,4.08,;.73,2.99,;.33,1.5,;1.42,.42,;2.91,.81,;4,-.28,;5.49,.12,;5.89,1.61,;7.37,2.01,;4.8,2.7,;3.31,2.3,;-4.11,.23,;-3.71,1.72,;-4.8,2.81,;-4.4,4.3,;-6.28,2.41,;-7.37,3.5,;-6.68,.92,;-5.59,-.17,;-5.99,-1.65,)|
Structure:
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