Reaction Details
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Protein Tax-1
Ligand
BDBM370888
Substrate
n/a
Meas. Tech.
MT4 Assay
IC50
10.00±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:
BDBM370888
Synonyms:
US10239840, Example 17
Type:
Small organic molecule
Emp. Form.:
C35H48FNO4
Mol. Mass.:
565.7583
SMILES:
Cc1c2CCCOc2c(F)cc1-c1c(C)c2CCN(CC3CCCCC3)CCc2c(C)c1[C@H](OC(C)(C)C)C(O)=O |r,wD:32.37,(-3.72,3.55,;-2.39,4.32,;-2.39,5.86,;-3.72,6.63,;-3.72,8.17,;-2.39,8.94,;-1.06,8.17,;-1.06,6.63,;.28,5.86,;1.61,6.63,;.28,4.32,;-1.06,3.55,;-1.06,2.01,;-2.39,1.24,;-3.72,2.01,;-2.39,-.3,;-3.82,-.86,;-4.28,-2.33,;-3.41,-3.61,;-4.18,-4.94,;-3.41,-6.27,;-4.18,-7.61,;-3.41,-8.94,;-1.87,-8.94,;-1.1,-7.61,;-1.87,-6.27,;-1.87,-3.72,;-.83,-2.59,;-1.06,-1.07,;.28,-.3,;1.61,-1.07,;.28,1.24,;1.61,2.01,;1.61,3.55,;2.94,4.32,;4.28,3.55,;4.28,5.09,;2.94,5.86,;2.94,1.24,;4.28,2.01,;2.94,-.3,)|
Structure:
