Reaction Details Report a problem with these data
Target
NEDD8-activating enzyme E1 catalytic subunit
Ligand
BDBM50575596
Substrate
n/a
Meas. Tech.
ChEMBL_2125645 (CHEMBL4834990)
IC50
198±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:
NEDD8-activating enzyme E1 catalytic subunit
Synonyms:
6.2.1.- | NEDD8-activating enzyme E1 catalytic subunit | NEDD8-activating enzyme E1C | UBA3 | UBA3_HUMAN | UBE1C | Ubiquitin-activating enzyme 3 | Ubiquitin-activating enzyme E1C | Ubiquitin-like modifier-activating enzyme 3
Type:
PROTEIN
Mol. Mass.:
51843.76
Organism:
Homo sapiens
Description:
ChEMBL_116863
Residue:
463
Sequence:
MADGEEPEKKRRRIEELLAEKMAVDGGCGDTGDWEGRWNHVKKFLERSGPFTHPDFEPSTESLQFLLDTCKVLVIGAGGLGCELLKNLALSGFRQIHVIDMDTIDVSNLNRQFLFRPKDIGRPKAEVAAEFLNDRVPNCNVVPHFNKIQDFNDTFYRQFHIIVCGLDSIIARRWINGMLISLLNYEDGVLDPSSIVPLIDGGTEGFKGNARVILPGMTACIECTLELYPPQVNFPMCTIASMPRLPEHCIEYVRMLQWPKEQPFGEGVPLDGDDPEHIQWIFQKSLERASQYNIRGVTYRLTQGVVKRIIPAVASTNAVIAAVCATEVFKIATSAYIPLNNYLVFNDVDGLYTYTFEAERKENCPACSQLPQNIQFSPSAKLQEVLDYLTNSASLQMKSPAITATLEGKNRTLYLQSVTSIEERTRPNLSKTLKELGLVDGQELAVADVTTPQTVLFKLHFTS
  
Inhibitor
Name:
BDBM50575596
Synonyms:
CHEMBL4848114
Type:
Small organic molecule
Emp. Form.:
C24H26N4O6S2
Mol. Mass.:
530.616
SMILES:
NS(=O)(=O)OC[C@H]1C[C@H](C[C@@H]1O)Nc1ncncc1C(=O)c1cc(cs1)[C@@H]1OCCc2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity: