Reaction Details Report a problem with these data
Target
Hemagglutinin
Ligand
BDBM50346601
Substrate
n/a
Meas. Tech.
ChEMBL_2253039 (CHEMBL5167249)
Kd
10900±n/a nM
Citation
 Li, H; Wang, S; Ma, W; Cheng, B; Yi, Y; Ma, X; Xiao, S; Zhang, L; Zhou, D Discovery of Pentacyclic Triterpenoid PROTACs as a Class of Effective Hemagglutinin Protein Degraders. J Med Chem 65:7154-7169 (2022) [PubMed] 
Target
Name:
Hemagglutinin
Synonyms:
HA | Hemagglutinin | Hemagglutinin HA1 chain | Hemagglutinin HA2 chain
Type:
PROTEIN
Mol. Mass.:
63455.07
Organism:
Influenza A virus (strain A/Wilson-Smith/1933 H1N1) (Influenza A virus(strain A/WS/1933 H1N1))
Description:
ChEMBL_109717
Residue:
565
Sequence:
MKAKLLVLLYAFVATDADTICIGYHANNSTDTVDTIFEKNVAVTHSVNLLEDRHNGKLCKLKGIAPLQLGKCNIIGWLLGNPECDSLLPARSWSYIVETPNSENGACYPGDFIDYEELREQLSSVSSLERFEIFPKESSWPNHTFNGVTASCSHRGKSSFYRNLLWLTKKGDSYPKLTNSYVNNKGKEVLVLWGVHHPSSSDEQQSLYSNGNAYVSVASSNYNRRFTPEIAARPKVKDQHGRMNYYWTLLEPGDTIIFEATGNLIAPWYAFALSRGFESGIITSNASMHECNTKCQTPQGSINSNLPFQNIHPVTIGECPKYVRSTKLRMVTGLRNIPSIQYRGLFGAIAGFIEGGWTGMIDGWYGYHHQNEQGSGYAADQKSTQNAINGITNKVNSIIEKMNTQFTAVGKEFNNLEKRMENLNKKVDDGFLDIWTYNAELLVLLENGRTLDFHDLNVKNLYEKVKSQLKNNAKEIGNGCFEFYHKCDNECMESVRNGTYDYPKYSEESKLNREKIDGVKLESMGVYQILAIYSTVASSLVLLVSLGAISFWMCSNGSLQCRICI
  
Inhibitor
Name:
BDBM50346601
Synonyms:
NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Oleanolic acid (OA)(Compound 1) | US11660306, Example Oleanolic acid
Type:
Small organic molecule
Emp. Form.:
C30H48O3
Mol. Mass.:
456.7003
SMILES:
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Structure:
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