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Target
Protease
Ligand
BDBM13934
Substrate
n/a
Meas. Tech.
ChEMBL_1721669 (CHEMBL4136669)
IC50
0.04±n/a nM
Citation
 Bungard, CJ; Williams, PD; Schulz, J; Wiscount, CM; Holloway, MK; Loughran, HM; Manikowski, JJ; Su, HP; Bennett, DJ; Chang, L; Chu, XJ; Crespo, A; Dwyer, MP; Keertikar, K; Morriello, GJ; Stamford, AW; Waddell, ST; Zhong, B; Hu, B; Ji, T; Diamond, TL; Bahnck-Teets, C; Carroll, SS; Fay, JF; Min, X; Morris, W; Ballard, JE; Miller, MD; McCauley, JA Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors. ACS Med Chem Lett 8:1292-1297 (2017) [PubMed]  Article 
Target
Name:
Protease
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
10904.79
Organism:
Human immunodeficiency virus 1 (HIV-1)
Description:
Q9YQ12
Residue:
99
Sequence:
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM13934
Synonyms:
Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 | Latazanavir | US10806794, Compound Atazanavir | methyl N-[(1S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenyl-butan-2-yl]carbamoyl]-2,2-dimethyl-propyl]carbamate | methyl N-[(1S)-1-{[(2S,3S)-3-hydroxy-4-[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-N'-{[4-(pyridin-2-yl)phenyl]methyl}butanehydrazido]-1-phenylbutan-2-yl]carbamoyl}-2,2-dimethylpropyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C38H52N6O7
Mol. Mass.:
704.8555
SMILES:
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r|
Structure:
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