Reaction Details |
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Target | Endoplasmin/Heat shock protein 75/Heat shock protein HSP 90-alpha/Heat shock protein HSP 90-beta |
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Ligand | BDBM20911 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Malachite Green ATPase Assay |
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IC50 | <10000±n/a nM |
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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 |
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More Info.: | Get all data from this article, Assay Method |
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Endoplasmin/Heat shock protein 75/Heat shock protein HSP 90-alpha/Heat shock protein HSP 90-beta |
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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: | MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIR
YESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFME
ALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPM
GRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKED
KEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRN
PDDITNEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFVPRRAPFDLFENRKKKNN
IKLYVRRVFIMDNCEELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNLVKKC
LELFTELAEDKENYKKFYEQFSKNIKLGIHEDSQNRKKLSELLRYYTSASGDEMVSLKDY
CTRMKENQKHIYYITGETKDQVANSAFVERLRKHGLEVIYMIEPIDEYCVQQLKEFEGKT
LVSVTKEGLELPEDEEEKKKQEEKKTKFENLCKIMKDILEKKVEKVVVSNRLVTSPCCIV
TSTYGWTANMERIMKAQALRDNSTMGYMAAKKHLEINPDHSIIETLRQKAEADKNDKSVK
DLVILLYETALLSSGFSLEDPQTHANRIYRMIKLGLGIDEDDPTADDTSAAVTEEMPPLE
GDDDTSRMEEVD
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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: | MPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLT
DPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAG
ADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTK
VILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLEKEREKEISDDEAEEEKGEKEEE
DKDDEEKPKIEDVGSDEEDDSGKDKKKKTKKIKEKYIDQEELNKTKPIWTRNPDDITQEE
YGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFIPRRAPFDLFENKKKKNNIKLYVRRV
FIMDSCDELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNIVKKCLELFSELA
EDKENYKKFYEAFSKNLKLGIHEDSTNRRRLSELLRYHTSQSGDEMTSLSEYVSRMKETQ
KSIYYITGESKEQVANSAFVERVRKRGFEVVYMTEPIDEYCVQQLKEFDGKSLVSVTKEG
LELPEDEEEKKKMEESKAKFENLCKLMKEILDKKVEKVTISNRLVSSPCCIVTSTYGWTA
NMERIMKAQALRDNSTMGYMMAKKHLEINPDHPIVETLRQKAEADKNDKAVKDLVVLLFE
TALLSSGFSLEDPQTHSNRIYRMIKLGLGIDEDEVAAEEPNAAVPDEIPPLEGDEDASRM
EEVD
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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: | MAGELLLLRGGRLWALLRAGRAPAARAPVAGRESTFLQRAALNFPRPQHNLAALAVLTGR
NYSTQAAENKDEESLHTIISNTENVKGAASKHEFQAETKKLLDIVARSLYSEKEVFIREL
ISNGNDALEKLRYKLMSEGKVLPDMEIHLQTDGGKGTITIQDTGIGMTQEELVSNLGTIA
RSGSKAFLDALQNQAEVNSKIIGQFGVGFYSAFMVADKVEVYSQSAEPGSPGYHWSSDGS
GIFEIAEASGVRTGTKIIIHLKEECKVFANEDRVREVVTKYSNFINFPLYLNGKRINTLQ
ALWMMDPKDISEWQHEEFYRFIAQAHDKPRYVLHYKTDAPLNIRSIFYVPEVKPSMFDVS
RELGSSVALYSRKILIQTKAEDILPKWLRFLRGVVDSEDIPLNLSRELLQESALIRKLRD
VLQKRLIKFFIDQSKKDPEKYAKFFEDYGLFMREGIVTIAEQDVKEDIGKLLRYESSALP
AGQLTSLPDYASRMKAGTRNIYYLCAPNRHLAKHSPYFEAMKKKDMEVLFCYEQFDELTL
LHLREFDKKKLISVETDIVVDHYKEEKFEDSCPAAEHLTEKEAEDLMAWMRNALGSRITN
VKVTPRLDTHPAMITVLEMGAARHFLRMQQLAKTNEERAQILQPTLEINTGHALIKKLNQ
LRDSEPDLAQLLMDQIYENAMIAAGLNDDPRPMVSRLNELLTKVLEKH
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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: | MRALWVLGLCCVLLTFGSVRADDEVDVDGTVEEDLGKSREGSRTDDEVVQREEEAIQLDG
LNASQIRELREKSEKFAFQAEVNRMMKLIINSLYKNKEIFLRELISNASDALDKIRLISL
TDENALSGNEELTVKIKCDKEKNLLHVTDTGVGMTREELVKNLGTIAKSGTSEFLNKMTE
AQEDGQSTSELIGQFGVGFYSAFLVADKVIVTSKHNNDTQHIWESDSNEFSVIADPRGNT
LGRGTTITLVLKEEASDYLELDTIKNLVKKYSQFINFPIYVWSSKTETVEEPMEEEEAAK
EEKEESDDEAAVEEEEEEKKPKTKKVEKTVWDWELMNDIKPIWQRPSKEVEEDEYKAFYK
SFSKESDDPMAYIHFTAEGEVTFKSILFVPTSAPRGLFDEYGSKKSDYIKLYVRRVFITD
DFHDMMPKYLNFVKGVVDSDDLPLNVSRETLQQHKLLKVIRKKLVRKTLDMIKKIADDKY
NDTFWKEFGTNIKLGVIEDHSNRTRLAKLLRFQSSHHPTDITSLDQYVERMKEKQDKIYF
MAGSSRKEAESSPFVERLLKKGYEVIYLTEPVDEYCIQALPEFDGKRFQNVAKEGVKFDE
SEKTKESREAVEKEFEPLLNWMKDKALKDKIEKAVVSQRLTESPCALVASQYGWSGNMER
IMKAQAYQTGKDISTNYYASQKKTFEINPRHPLIRDMLRRIKEDEDDKTVLDLAVVLFET
ATLRSGYLLPDTKAYGDRIERMLRLSLNIDPDAKVEEEPEEEPEETAEDTTEDTEQDEDE
EMDVGTDEEEETAKESTAEKDEL
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BDBM20911 |
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n/a |
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Name | BDBM20911 |
Synonyms: | 5-(5-chloro-2,4-dihydroxyphenyl)-4-{3-[(4-acetylpiperazin-1-yl)methyl]phenyl}-N-ethyl-1,2-oxazole-3-carboxamide | Isoxazole, 31c | US10413550, Example 62 | US11234987, Example 62 | US9718793, 62 |
Type | Small organic molecule |
Emp. Form. | C25H27ClN4O5 |
Mol. Mass. | 498.959 |
SMILES | CCNC(=O)c1noc(c1-c1cccc(CN2CCN(CC2)C(C)=O)c1)-c1cc(Cl)c(O)cc1O |
Structure |
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