Reaction Details Report a problem with these data
Target
Protein Tax-1
Ligand
BDBM370876
Substrate
n/a
Meas. Tech.
MT4 Assay
IC50
60.0±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:
BDBM370876
Synonyms:
US10239840, Example 6
Type:
Small organic molecule
Emp. Form.:
C34H46FNO5
Mol. Mass.:
567.7311
SMILES:
Cc1c2CCCOc2c(F)cc1-c1c(C)c2CCN(CCc2c(C)c1[C@H](OC(C)(C)C)C(O)=O)C(=O)CC(C)(C)C |r,wD:25.29,(-3,2.88,;-1.67,3.65,;-1.67,5.19,;-3,5.96,;-3,7.5,;-1.67,8.27,;-.34,7.5,;-.34,5.96,;1,5.19,;2.33,5.96,;1,3.65,;-.34,2.88,;-.34,1.34,;-1.67,.57,;-3,1.34,;-1.67,-.97,;-3.1,-1.53,;-3.56,-3,;-2.69,-4.27,;-1.15,-4.39,;-.11,-3.26,;-.34,-1.74,;1,-.97,;2.33,-1.74,;1,.57,;2.33,1.34,;2.33,2.88,;3.67,3.65,;5,2.88,;5,4.42,;3.67,5.19,;3.67,.57,;5,1.34,;3.67,-.97,;-3.46,-5.61,;-5,-5.61,;-2.69,-6.94,;-1.15,-6.94,;.39,-6.94,;-.38,-5.61,;-.38,-8.27,)|
Structure:
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