Reaction Details Report a problem with these data
Target
Protein Tax-1
Ligand
BDBM370886
Substrate
n/a
Meas. Tech.
MT4 Assay
IC50
13.0±n/a nM
Citation
 Johns, BA; Suwandi, LS; Velthuisen, EJ; Weatherhead, JG Benzoazepine derivatives US Patent  US10239840 Publication Date 3/26/2019 
Target
Name:
Protein Tax-1
Synonyms:
Protein PX | TAX_HTL1A | Tax | Trans-activating transcriptional regulatory protein of HTLV-1 | X-LOR
Type:
Enzyme Catalytic Domain
Mol. Mass.:
39474.08
Organism:
Human T-cell leukemia virus 1 (strain Japan ATK-1 subtype A) (HTLV-1)
Description:
n/a
Residue:
353
Sequence:
MAHFPGFGQSLLFGYPVYVFGDCVQGDWCPISGGLCSARLHRHALLATCPEHQITWDPIDGRVIGSALQFLIPRLPSFPTQRTSKTLKVLTPPITHTTPNIPPSFLQAMRKYSPFRNGYMEPTLGQHLPTLSFPDPGLRPQNLYTLWGGSVVCMYLYQLSPPITWPLLPHVIFCHPGQLGAFLTNVPYKRIEELLYKISLTTGALIILPEDCLPTTLFQPARAPVTLTAWQNGLLPFHSTLTTPGLIWTFTDGTPMISGPCPKDGQPSLVLQSSSFIFHKFQTKAYHPSFLLSHGLIQYSSFHSLHLLFEEYTNIPISLLFNEKEADDNDHEPQISPGGLEPPSEKHFRETEV
  
Inhibitor
Name:
BDBM370886
Synonyms:
US10239840, Example 16
Type:
Small organic molecule
Emp. Form.:
C36H50FNO4
Mol. Mass.:
579.7849
SMILES:
Cc1c2CCCOc2c(F)cc1-c1c(C)c2CCN(CCC3CCCCC3)CCc2c(C)c1[C@H](OC(C)(C)C)C(O)=O |r,wD:33.38,(-1.46,3.55,;-.13,4.32,;-.13,5.86,;-1.46,6.63,;-1.46,8.17,;-.13,8.94,;1.2,8.17,;1.2,6.63,;2.54,5.86,;3.87,6.63,;2.54,4.32,;1.2,3.55,;1.2,2.01,;-.13,1.24,;-1.46,2.01,;-.13,-.3,;-1.56,-.86,;-2.02,-2.33,;-1.15,-3.61,;-1.92,-4.94,;-3.46,-4.94,;-4.23,-6.27,;-5.77,-6.27,;-6.54,-7.61,;-5.77,-8.94,;-4.23,-8.94,;-3.46,-7.61,;.39,-3.72,;1.43,-2.59,;1.2,-1.07,;2.54,-.3,;3.87,-1.07,;2.54,1.24,;3.87,2.01,;3.87,3.55,;5.21,4.32,;6.54,3.55,;6.54,5.09,;5.21,5.86,;5.21,1.24,;6.54,2.01,;5.21,-.3,)|
Structure:
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