Reaction Details Report a problem with these data
Target
SUMO-activating enzyme subunit 1
Ligand
BDBM50143897
Substrate
n/a
Meas. Tech.
ChEMBL_1551377 (CHEMBL3762498)
IC50
33200±n/a nM
Citation
 Kumar, A; Ito, A; Hirohama, M; Yoshida, M; Zhang, KY Identification of new SUMO activating enzyme 1 inhibitors using virtual screening and scaffold hopping. Bioorg Med Chem Lett 26:1218-23 (2016) [PubMed]  Article 
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:
BDBM50143897
Synonyms:
CHEMBL3758566
Type:
Small organic molecule
Emp. Form.:
C20H18N4O4S2
Mol. Mass.:
442.511
SMILES:
COc1cc(NC(=O)Nc2nc(cs2)-c2nc3ccccc3s2)cc(OC)c1OC
Structure:
Search PDB for entries with ligand similarity: