Reaction Details Report a problem with these data
Target
Protein Tax-1
Ligand
BDBM370890
Substrate
n/a
Meas. Tech.
MT4 Assay
IC50
92.0±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:
BDBM370890
Synonyms:
US10239840, Example 19
Type:
Small organic molecule
Emp. Form.:
C34H40FNO4
Mol. Mass.:
545.6841
SMILES:
Cc1c2CCCOc2c(F)cc1-c1c(C)c2CCN(CCc2c(C)c1[C@H](OC(C)(C)C)C(O)=O)c1ccccc1 |r,wD:25.29,(-2.62,2.88,;-1.28,3.65,;-1.28,5.19,;-2.62,5.96,;-2.62,7.5,;-1.28,8.27,;.05,7.5,;.05,5.96,;1.38,5.19,;2.72,5.96,;1.38,3.65,;.05,2.88,;.05,1.34,;-1.28,.57,;-2.62,1.34,;-1.28,-.97,;-2.72,-1.53,;-3.17,-3,;-2.3,-4.27,;-.77,-4.39,;.28,-3.26,;.05,-1.74,;1.38,-.97,;2.72,-1.74,;1.38,.57,;2.72,1.34,;2.72,2.88,;4.05,3.65,;5.38,2.88,;5.38,4.42,;4.05,5.19,;4.05,.57,;5.38,1.34,;4.05,-.97,;-3.07,-5.61,;-4.61,-5.61,;-5.38,-6.94,;-4.61,-8.27,;-3.07,-8.27,;-2.3,-6.94,)|
Structure:
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