Reaction Details |
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Target | SUMO-activating enzyme subunit 1/2 |
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Ligand | BDBM50575588 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2125643 (CHEMBL4834988) |
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IC50 | 0.200000±n/a nM |
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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 |
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More Info.: | Get all data from this article, Assay Method |
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SUMO-activating enzyme subunit 1/2 |
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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
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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
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BDBM50575588 |
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n/a |
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Name | BDBM50575588 |
Synonyms: | CHEMBL4854038 |
Type | Small organic molecule |
Emp. Form. | C23H26ClN5O5S2 |
Mol. Mass. | 552.066 |
SMILES | Cc1sc(cc1C(N)c1cccc(Cl)c1)C(=O)c1cncnc1N[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)C1 |r| |
Structure |
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