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Target
SUMO-activating enzyme subunit 1
Ligand
BDBM54992
Substrate
n/a
Meas. Tech.
uHTS HTRF assay for identification of inhibitors of SUMOylation
IC50
32830±n/a nM
Citation
 PubChem, PC uHTS HTRF assay for identification of inhibitors of SUMOylation PubChem Bioassay (2010)[AID] 
Target
Name:
SUMO-activating enzyme subunit 1
Synonyms:
AOS1 | SAE1 | SAE1_HUMAN | SUA1 | SUMO-activating enzyme subunit 1 (SAE1) | SUMO1 activating enzyme subunit 1 | UBLE1A
Type:
Enzyme Catalytic Domain
Mol. Mass.:
38440.84
Organism:
Homo sapiens (Human)
Description:
gi_17390638
Residue:
346
Sequence:
MVEKEEAGGGISEEEAAQYDRQIRLWGLEAQKRLRASRVLLVGLKGLGAEIAKNLILAGVKGLTMLDHEQVTPEDPGAQFLIRTGSVGRNRAEASLERAQNLNPMVDVKVDTEDIEKKPESFFTQFDAVCLTCCSRDVIVKVDQICHKNSIKFFTGDVFGYHGYTFANLGEHEFVEEKTKVAKVSQGVEDGPDTKRAKLDSSETTMVKKKVVFCPVKEALEVDWSSEKAKAALKRTTSDYFLLQVLLKFRTDKGRDPSSDTYEEDSELLLQIRNDVLDSLGISPDLLPEDFVRYCFSEMAPVCAVVGGILAQEIVKALSQRDPPHNNFFFFDGMKGNGIVECLGPK
  
Inhibitor
Name:
BDBM54992
Synonyms:
2-[[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[1,2]pyrano[2,4-b]pyrimidin-4-yl]sulfanyl]-N-(3-hydroxyphenyl)acetamide | 2-[[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[1,2]pyrano[2,4-b]pyrimidin-4-yl]sulfanyl]-N-(3-hydroxyphenyl)ethanamide | 2-[[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[1,2]pyrano[2,4-b]pyrimidin-4-yl]thio]-N-(3-hydroxyphenyl)acetamide | MLS001122944 | N-(3-hydroxyphenyl)-2-[[2-(4-methoxyphenyl)-9-methyl-6-methylol-5H-pyrido[1,2]pyrano[2,4-b]pyrimidin-4-yl]thio]acetamide | SMR000628160 | cid_16018967
Type:
Small organic molecule
Emp. Form.:
C27H24N4O5S
Mol. Mass.:
516.568
SMILES:
COc1ccc(cc1)-c1nc2Oc3c(C)ncc(CO)c3Cc2c(SCC(=O)Nc2cccc(O)c2)n1
Structure:
Search PDB for entries with ligand similarity: