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Target
Gag polyprotein
Ligand
BDBM50450016
Substrate
n/a
Meas. Tech.
ChEMBL_1741648 (CHEMBL4157398)
Kd
5.4±n/a nM
Citation
 Regueiro-Ren, A; Swidorski, JJ; Liu, Z; Chen, Y; Sin, N; Sit, SY; Chen, J; Venables, BL; Zhu, J; Nowicka-Sans, B; Protack, T; Lin, Z; Terry, B; Samanta, H; Zhang, S; Li, Z; Easter, J; Beno, BR; Arora, V; Huang, XS; Rahematpura, S; Parker, DD; Haskell, R; Santone, KS; Cockett, MI; Krystal, M; Meanwell, NA; Jenkins, S; Hanumegowda, U; Dicker, IB Design, Synthesis, and SAR of C-3 Benzoic Acid, C-17 Triterpenoid Derivatives. Identification of the HIV-1 Maturation Inhibitor 4-((1 R,3a S,5a R,5b R,7a R,11a S,11b R,13a R,13b R)-3a-((2-(1,1-Dioxidothiomorpholino)ethyl)amino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,1 J Med Chem 61:7289-7313 (2018) [PubMed]  Article 
Target
Name:
Gag polyprotein
Synonyms:
Gag polyprotein | gag
Type:
PROTEIN
Mol. Mass.:
55947.39
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_12445
Residue:
500
Sequence:
MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGLLETSEGCRQILGQLQPSLQTGSEELRSLYNTVATLYCVHQRIEIKDTKEALDKIEEEQNKSKKKAQQAAADTGHSNQVSQNYPIVQNIQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGATPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRVHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTNNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPAATLEEMMTACQGVGGPGHKARVLAEAMSQVTNSATIMMQRGNFRNQRKIVKCFNCGKEGHTARNCRAPRKKGCWKCGKEGHQMKDCTERQANFLGKIWPSYKGRPGNFLQSRPEPTAPPEESFRSGVETTTPPQKQEPIDKELYPLTSLRSLFGNDPSSQ
  
Inhibitor
Name:
BDBM50450016
Synonyms:
CHEMBL4163247
Type:
Small organic molecule
Emp. Form.:
C36H56O6
Mol. Mass.:
584.8262
SMILES:
[H][C@]12[C@@H](CCC1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r|
Structure:
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