Target
SUMO-activating enzyme subunit 1/2
Ligand
BDBM50575574
Substrate
n/a
Meas. Tech.
ChEMBL_2125643 (CHEMBL4834988)
IC50
2.0±n/a nM
Citation
 Langston, SPGrossman, SEngland, DAfroze, RBence, NBowman, DBump, NChau, RChuang, BCClaiborne, CCohen, LConnolly, KDuffey, MDurvasula, NFreeze, SGallery, MGalvin, KGaulin, JGershman, RGreenspan, PGrieves, JGuo, JGulavita, NHailu, SHe, XHoar, KHu, YHu, ZIto, MKim, MSLane, SWLok, DLublinsky, AMallender, WMcIntyre, CMinissale, JMizutani, HMizutani, MMolchinova, NOno, KPatil, AQian, MRiceberg, JShindi, VSintchak, MDSong, KSoucy, TWang, YXu, HYang, XZawadzka, AZhang, JPulukuri, SM Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer. J Med Chem 64:2501-2520 (2021) [PubMed]  Article 
Target
Name:
SUMO-activating enzyme subunit 1/2
Synonyms:
SUMO E1 | SUMO-activating enzyme
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 977623
Components:
This complex has 2 components.
Component 1
Name:
SUMO-activating enzyme subunit 2
Synonyms:
6.3.2.- | Anthracycline-associated resistance ARX | SAE2 | SAE2_HUMAN | SUMO-activating enzyme subunit 2 | SUMO-activating enzyme subunit 2 (SAE2) | UBA2 | UBLE1B | Ubiquitin-like 1-activating enzyme E1B | Ubiquitin-like modifier-activating enzyme 2
Type:
Enzyme
Mol. Mass.:
71206.17
Organism:
Homo sapiens (Human)
Description:
Q9UBT2
Residue:
640
Sequence:
MALSRGLPRELAEAVAGGRVLVVGAGGIGCELLKNLVLTGFSHIDLIDLDTIDVSNLNRQFLFQKKHVGRSKAQVAKESVLQFYPKANIVAYHDSIMNPDYNVEFFRQFILVMNALDNRAARNHVNRMCLAADVPLIESGTAGYLGQVTTIKKGVTECYECHPKPTQRTFPGCTIRNTPSEPIHCIVWAKYLFNQLFGEEDADQEVSPDRADPEAAWEPTEAEARARASNEDGDIKRISTKEWAKSTGYDPVKLFTKLFKDDIRYLLTMDKLWRKRKPPVPLDWAEVQSQGEETNASDQQNEPQLGLKDQQVLDVKSYARLFSKSIETLRVHLAEKGDGAELIWDKDDPSAMDFVTSAANLRMHIFSMNMKSRFDIKSMAGNIIPAIATTNAVIAGLIVLEGLKILSGKIDQCRTIFLNKQPNPRKKLLVPCALDPPNPNCYVCASKPEVTVRLNVHKVTVLTLQDKIVKEKFAMVAPDVQIEDGKGTILISSEEGETEANNHKKLSEFGIRNGSRLQADDFLQDYTLLINILHSEDLGKDVEFEVVGDAPEKVGPKQAEDAAKSITNGSDDGAQPSTSTAQEQDDVLIVDSDEEDSSNNADVSEEERSRKRKLDEKENLSAKRSRIEQKEELDDVIALD
  
Component 2
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:
BDBM50575574
Synonyms:
CHEMBL4852740
Type:
Small organic molecule
Emp. Form.:
C19H21ClN6O5S2
Mol. Mass.:
512.99
SMILES:
NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1ccn(Cc2ccc(Cl)s2)n1 |r|
Structure:
Search PDB for entries with ligand similarity: