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Target
SUMO-activating enzyme subunit 1/2
Ligand
BDBM50575560
Substrate
n/a
Meas. Tech.
ChEMBL_2125643 (CHEMBL4834988)
IC50
2.3±n/a nM
Citation
 Langston, SP; Grossman, S; England, D; Afroze, R; Bence, N; Bowman, D; Bump, N; Chau, R; Chuang, BC; Claiborne, C; Cohen, L; Connolly, K; Duffey, M; Durvasula, N; Freeze, S; Gallery, M; Galvin, K; Gaulin, J; Gershman, R; Greenspan, P; Grieves, J; Guo, J; Gulavita, N; Hailu, S; He, X; Hoar, K; Hu, Y; Hu, Z; Ito, M; Kim, MS; Lane, SW; Lok, D; Lublinsky, A; Mallender, W; McIntyre, C; Minissale, J; Mizutani, H; Mizutani, M; Molchinova, N; Ono, K; Patil, A; Qian, M; Riceberg, J; Shindi, V; Sintchak, MD; Song, K; Soucy, T; Wang, Y; Xu, H; Yang, X; Zawadzka, A; Zhang, J; Pulukuri, 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:
BDBM50575560
Synonyms:
CHEMBL4860471
Type:
Small organic molecule
Emp. Form.:
C21H23FN6O5S
Mol. Mass.:
490.508
SMILES:
NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2ccn(Cc3ccccc3)n2)[C@@H](F)[C@@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: