Reaction Details
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Protein Tax-1
Ligand
BDBM370892
Substrate
n/a
Meas. Tech.
MT4 Assay
IC50
8.00±n/a nM
Citation
Johns, BA; Suwandi, LS; Velthuisen, EJ; Weatherhead, JG Benzoazepine derivatives US Patent US10239840 Publication Date 3/26/2019 More Info.:
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:
BDBM370892
Synonyms:
US10239840, Example 21
Type:
Small organic molecule
Emp. Form.:
C33H45FN2O6S
Mol. Mass.:
616.784
SMILES:
Cc1c2CCCOc2c(F)cc1-c1c(C)c2CCN(CCc2c(C)c1[C@H](OC(C)(C)C)C(O)=O)S(=O)(=O)N1CCCCC1 |r,wD:25.29,(-3,3.55,;-1.67,4.32,;-1.67,5.86,;-3,6.63,;-3,8.17,;-1.67,8.94,;-.34,8.17,;-.34,6.63,;1,5.86,;2.33,6.63,;1,4.32,;-.34,3.55,;-.34,2.01,;-1.67,1.24,;-3,2.01,;-1.67,-.3,;-3.1,-.86,;-3.56,-2.33,;-2.69,-3.61,;-1.15,-3.72,;-.11,-2.59,;-.34,-1.07,;1,-.3,;2.33,-1.07,;1,1.24,;2.33,2.01,;2.33,3.55,;3.67,4.32,;5,3.55,;5,5.09,;3.67,5.86,;3.67,1.24,;5,2.01,;3.67,-.3,;-3.46,-4.94,;-5,-4.94,;-4.55,-6.03,;-2.69,-6.27,;-3.46,-7.61,;-2.69,-8.94,;-1.15,-8.94,;-.38,-7.61,;-1.15,-6.27,)|
Structure:
