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Target
NEDD8-activating enzyme E1 catalytic subunit
Ligand
BDBM50601497
Substrate
n/a
Meas. Tech.
ChEMBL_2237123 (CHEMBL5151019)
IC50
170±n/a nM
Citation
 Xiong, C; Zhou, L; Tan, J; Song, S; Bao, X; Zhang, N; Ding, H; Zhao, J; He, JX; Miao, ZH; Zhang, A Development of Potent NEDD8-Activating Enzyme Inhibitors Bearing a Pyrimidotriazole Scaffold. J Med Chem 64:6161-6178 (2021) [PubMed] 
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:
BDBM50601497
Synonyms:
CHEMBL5173277
Type:
Small organic molecule
Emp. Form.:
C22H28N8O6S
Mol. Mass.:
532.573
SMILES:
COCC(=O)N[C@H]1Cc2ccccc2[C@H]1Nc1ncnc2n(nnc12)[C@H]1C[C@H](O)[C@H](COS(N)(=O)=O)C1 |r|
Structure:
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