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Target
N-acetylglucosamine-1-phosphotransferase subunits alpha/beta
Ligand
BDBM518870
Substrate
n/a
Meas. Tech.
TarO Biochemical Enzymatic Assay
IC50
30.0±n/a nM
Citation
 Caldwell, JP; Ho, GD; Ha, SN; Koseoglu, SJ; Labroli, MA; Lee, SH; Madsen-Duggan, C; Mandal, M; Pan, J; Pan, W; Roemer, T; Su, J; Tan, CM; Tan, Z; Wang, H; Yang, C; Yang, S Benzimidazoles and indoles as taro inhibitors US Patent  US11141403 Publication Date 10/12/2021 
Target
Name:
N-acetylglucosamine-1-phosphotransferase subunits alpha/beta
Synonyms:
GNPTA | GNPTAB | GNPTA_HUMAN | GlcNAc-1-phosphotransferase subunits alpha/beta | KIAA1208 | Stealth protein GNPTAB | UDP-N-acetylglucosamine-1-phosphotransferase subunits alpha/beta
Type:
Protein
Mol. Mass.:
143634.29
Organism:
Human
Description:
Q3T906
Residue:
1256
Sequence:
MLFKLLQRQTYTCLSHRYGLYVCFLGVVVTIVSAFQFGEVVLEWSRDQYHVLFDSYRDNIAGKSFQNRLCLPMPIDVVYTWVNGTDLELLKELQQVREQMEEEQKAMREILGKNTTEPTKKSEKQLECLLTHCIKVPMLVLDPALPANITLKDLPSLYPSFHSASDIFNVAKPKNPSTNVSVVVFDSTKDVEDAHSGLLKGNSRQTVWRGYLTTDKEVPGLVLMQDLAFLSGFPPTFKETNQLKTKLPENLSSKVKLLQLYSEASVALLKLNNPKDFQELNKQTKKNMTIDGKELTISPAYLLWDLSAISQSKQDEDISASRFEDNEELRYSLRSIERHAPWVRNIFIVTNGQIPSWLNLDNPRVTIVTHQDVFRNLSHLPTFSSPAIESHIHRIEGLSQKFIYLNDDVMFGKDVWPDDFYSHSKGQKVYLTWPVPNCAEGCPGSWIKDGYCDKACNNSACDWDGGDCSGNSGGSRYIAGGGGTGSIGVGQPWQFGGGINSVSYCNQGCANSWLADKFCDQACNVLSCGFDAGDCGQDHFHELYKVILLPNQTHYIIPKGECLPYFSFAEVAKRGVEGAYSDNPIIRHASIANKWKTIHLIMHSGMNATTIHFNLTFQNTNDEEFKMQITVEVDTREGPKLNSTAQKGYENLVSPITLLPEAEILFEDIPKEKRFPKFKRHDVNSTRRAQEEVKIPLVNISLLPKDAQLSLNTLDLQLEHGDITLKGYNLSKSALLRSFLMNSQHAKIKNQAIITDETNDSLVAPQEKQVHKSILPNSLGVSERLQRLTFPAVSVKVNGHDQGQNPPLDLETTARFRVETHTQKTIGGNVTKEKPPSLIVPLESQMTKEKKITGKEKENSRMEENAENHIGVTEVLLGRKLQHYTDSYLGFLPWEKKKYFQDLLDEEESLKTQLAYFTDSKNTGRQLKDTFADSLRYVNKILNSKFGFTSRKVPAHMPHMIDRIVMQELQDMFPEEFDKTSFHKVRHSEDMQFAFSYFYYLMSAVQPLNISQVFDEVDTDQSGVLSDREIRTLATRIHELPLSLQDLTGLEHMLINCSKMLPADITQLNNIPPTQESYYDPNLPPVTKSLVTNCKPVTDKIHKAYKDKNKYRFEIMGEEEIAFKMIRTNVSHVVGQLDDIRKNPRKFVCLNDNIDHNHKDAQTVKAVLRDFYESMFPIPSQFELPREYRNRFLHMHELQEWRAYRDKLKFWTHCVLATLIMFTIFSFFAEQLIALKRKIFPRRRIHKEASPNRIRV
  
Inhibitor
Name:
BDBM518870
Synonyms:
3-[6-bromo-2-(trans-4- ethylcyclohexyl)-1H- benzimidazol-1-yl]-N- cyclohexyl-N- ethylpropanamide | US11141403, Example 8
Type:
Small organic molecule
Emp. Form.:
C26H38BrN3O
Mol. Mass.:
488.503
SMILES:
CC[C@H]1CC[C@@H](CC1)c1nc2ccc(Br)cc2n1CCC(=O)N(CC)C1CCCCC1 |r,wU:2.1,wD:5.8,(-6.65,-5.3,;-5.88,-3.97,;-4.34,-3.97,;-3.57,-2.64,;-2.03,-2.64,;-1.26,-3.97,;-2.03,-5.3,;-3.57,-5.3,;.28,-3.97,;1.18,-5.22,;2.65,-4.74,;3.98,-5.51,;5.32,-4.74,;5.32,-3.2,;6.65,-2.43,;3.98,-2.43,;2.65,-3.2,;1.18,-2.72,;.79,-1.24,;-.7,-.84,;-1.1,.65,;-.01,1.74,;-2.59,1.05,;-3.68,-.04,;-5.16,.36,;-2.99,2.54,;-1.9,3.62,;-2.3,5.11,;-3.78,5.51,;-4.87,4.42,;-4.47,2.93,)|
Structure:
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