| Reaction Details |
|---|
 | Report a problem with these data |
| Target | SUMO-activating enzyme subunit 1/2 |
|---|
| Ligand | BDBM50575604 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2125643 (CHEMBL4834988) |
|---|
| IC50 | 0.400000±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 Chem64:2501-2520 (2021) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| SUMO-activating enzyme subunit 1/2 |
|---|
| 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: | MALSRGLPRELAEAVAGGRVLVVGAGGIGCELLKNLVLTGFSHIDLIDLDTIDVSNLNRQ
FLFQKKHVGRSKAQVAKESVLQFYPKANIVAYHDSIMNPDYNVEFFRQFILVMNALDNRA
ARNHVNRMCLAADVPLIESGTAGYLGQVTTIKKGVTECYECHPKPTQRTFPGCTIRNTPS
EPIHCIVWAKYLFNQLFGEEDADQEVSPDRADPEAAWEPTEAEARARASNEDGDIKRIST
KEWAKSTGYDPVKLFTKLFKDDIRYLLTMDKLWRKRKPPVPLDWAEVQSQGEETNASDQQ
NEPQLGLKDQQVLDVKSYARLFSKSIETLRVHLAEKGDGAELIWDKDDPSAMDFVTSAAN
LRMHIFSMNMKSRFDIKSMAGNIIPAIATTNAVIAGLIVLEGLKILSGKIDQCRTIFLNK
QPNPRKKLLVPCALDPPNPNCYVCASKPEVTVRLNVHKVTVLTLQDKIVKEKFAMVAPDV
QIEDGKGTILISSEEGETEANNHKKLSEFGIRNGSRLQADDFLQDYTLLINILHSEDLGK
DVEFEVVGDAPEKVGPKQAEDAAKSITNGSDDGAQPSTSTAQEQDDVLIVDSDEEDSSNN
ADVSEEERSRKRKLDEKENLSAKRSRIEQKEELDDVIALD
|
|
|
|---|
| 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: | MVEKEEAGGGISEEEAAQYDRQIRLWGLEAQKRLRASRVLLVGLKGLGAEIAKNLILAGV
KGLTMLDHEQVTPEDPGAQFLIRTGSVGRNRAEASLERAQNLNPMVDVKVDTEDIEKKPE
SFFTQFDAVCLTCCSRDVIVKVDQICHKNSIKFFTGDVFGYHGYTFANLGEHEFVEEKTK
VAKVSQGVEDGPDTKRAKLDSSETTMVKKKVVFCPVKEALEVDWSSEKAKAALKRTTSDY
FLLQVLLKFRTDKGRDPSSDTYEEDSELLLQIRNDVLDSLGISPDLLPEDFVRYCFSEMA
PVCAVVGGILAQEIVKALSQRDPPHNNFFFFDGMKGNGIVECLGPK
|
|
|
|---|
| BDBM50575604 |
|---|
| n/a |
|---|
| Name | BDBM50575604 |
|---|
| Synonyms: | CHEMBL4873956 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C24H25Cl2N5O5S2 |
|---|
| Mol. Mass. | 598.522 |
|---|
| SMILES | NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(C2NCCc3ccc(Cl)cc23)c(Cl)s1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
