Reaction Details Report a problem with these data
Target
Protein Tax-1
Ligand
BDBM370878
Substrate
n/a
Meas. Tech.
MT4 Assay
IC50
4.00±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:
BDBM370878
Synonyms:
US10239840, Example 8
Type:
Small organic molecule
Emp. Form.:
C37H44FNO6
Mol. Mass.:
617.7468
SMILES:
COc1ccc(C)cc1C(=O)N1CCc2c(C)c([C@H](OC(C)(C)C)C(O)=O)c(c(C)c2CC1)-c1cc(F)c2OCCCc2c1C |r,wD:18.19,(1.16,-4.27,;-.38,-4.27,;-1.15,-5.61,;-.38,-6.94,;-1.15,-8.27,;-2.69,-8.27,;-3.46,-9.61,;-3.46,-6.94,;-2.69,-5.61,;-3.46,-4.27,;-5,-4.27,;-2.69,-2.94,;-1.15,-3.05,;-.11,-1.93,;-.34,-.4,;1,.37,;2.33,-.4,;1,1.91,;2.33,2.68,;2.33,4.22,;3.67,4.99,;5,4.22,;5,5.76,;3.67,6.53,;3.67,1.91,;5,2.68,;3.67,.37,;-.34,2.68,;-1.67,1.91,;-3,2.68,;-1.67,.37,;-3.1,-.2,;-3.56,-1.67,;-.34,4.22,;1,4.99,;1,6.53,;2.33,7.3,;-.34,7.3,;-.34,8.84,;-1.67,9.61,;-3,8.84,;-3,7.3,;-1.67,6.53,;-1.67,4.99,;-3,4.22,)|
Structure:
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