Reaction Details |
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Target | Heat shock protein 75 kDa, mitochondrial |
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Ligand | BDBM50180302 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1478164 (CHEMBL3427925) |
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IC50 | 205±n/a nM |
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Citation | Patel, HJ; Patel, PD; Ochiana, SO; Yan, P; Sun, W; Patel, MR; Shah, SK; Tramentozzi, E; Brooks, J; Bolaender, A; Shrestha, L; Stephani, R; Finotti, P; Leifer, C; Li, Z; Gewirth, DT; Taldone, T; Chiosis, G Structure-activity relationship in a purine-scaffold compound series with selectivity for the endoplasmic reticulum Hsp90 paralog Grp94. J Med Chem58:3922-43 (2015) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Heat shock protein 75 kDa, mitochondrial |
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Name: | Heat shock protein 75 kDa, mitochondrial |
Synonyms: | HSP75 | TRAP1 | TRAP1_HUMAN |
Type: | PROTEIN |
Mol. Mass.: | 80120.13 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_1478164 |
Residue: | 704 |
Sequence: | MARELRALLLWGRRLRPLLRAPALAAVPGGKPILCPRRTTAQLGPRRNPAWSLQAGRLFS
TQTAEDKEEPLHSIISSTESVQGSTSKHEFQAETKKLLDIVARSLYSEKEVFIRELISNA
SDALEKLRHKLVSDGQALPEMEIHLQTNAEKGTITIQDTGIGMTQEELVSNLGTIARSGS
KAFLDALQNQAEASSKIIGQFGVGFYSAFMVADRVEVYSRSAAPGSLGYQWLSDGSGVFE
IAEASGVRTGTKIIIHLKSDCKEFSSEARVRDVVTKYSNFVSFPLYLNGRRMNTLQAIWM
MDPKDVREWQHEEFYRYVAQAHDKPRYTLHYKTDAPLNIRSIFYVPDMKPSMFDVSRELG
SSVALYSRKVLIQTKATDILPKWLRFIRGVVDSEDIPLNLSRELLQESALIRKLRDVLQQ
RLIKFFIDQSKKDAEKYAKFFEDYGLFMREGIVTATEQEVKEDIAKLLRYESSALPSGQL
TSLSEYASRMRAGTRNIYYLCAPNRHLAEHSPYYEAMKKKDTEVLFCFEQFDELTLLHLR
EFDKKKLISVETDIVVDHYKEEKFEDRSPAAECLSEKETEELMAWMRNVLGSRVTNVKVT
LRLDTHPAMVTVLEMGAARHFLRMQQLAKTQEERAQLLQPTLEINPRHALIKKLNQLRAS
EPGLAQLLVDQIYENAMIAAGLVDDPRAMVGRLNELLVKALERH
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BDBM50180302 |
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n/a |
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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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