Reaction Details Report a problem with these data
Target
Protein Tax-1
Ligand
BDBM370891
Substrate
n/a
Meas. Tech.
MT4 Assay
IC50
42.0±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:
BDBM370891
Synonyms:
US10239840, Example 20
Type:
Small organic molecule
Emp. Form.:
C34H46FNO6S
Mol. Mass.:
615.796
SMILES:
Cc1c2CCCOc2c(F)cc1-c1c(C)c2CCN(CCc2c(C)c1[C@H](OC(C)(C)C)C(O)=O)S(=O)(=O)C1CCCCC1 |r,wD:25.29,(-2.23,3.55,;-.9,4.32,;-.9,5.86,;-2.23,6.63,;-2.23,8.17,;-.9,8.94,;.43,8.17,;.43,6.63,;1.77,5.86,;3.1,6.63,;1.77,4.32,;.43,3.55,;.43,2.01,;-.9,1.24,;-2.23,2.01,;-.9,-.3,;-2.33,-.86,;-2.79,-2.33,;-1.92,-3.61,;-.38,-3.72,;.66,-2.59,;.43,-1.07,;1.77,-.3,;3.1,-1.07,;1.77,1.24,;3.1,2.01,;3.1,3.55,;4.44,4.32,;5.77,3.55,;5.77,5.09,;4.44,5.86,;4.44,1.24,;5.77,2.01,;4.44,-.3,;-2.69,-4.94,;-3.78,-3.85,;-1.36,-5.71,;-3.46,-6.27,;-5,-6.27,;-5.77,-7.61,;-5,-8.94,;-3.46,-8.94,;-2.69,-7.61,)|
Structure:
Search PDB for entries with ligand similarity: