Reaction Details Report a problem with these data
Target
Protease
Ligand
BDBM13934
Substrate
n/a
Meas. Tech.
ChEBML_1589555
IC50
0.040000±n/a nM
Citation
Bungard, CJ; Williams, PD; Ballard, JE; Bennett, DJ; Beaulieu, C; Bahnck-Teets, C; Carroll, SS; Chang, RK; Dubost, DC; Fay, JF; Diamond, TL; Greshock, TJ; Hao, L; Holloway, MK; Felock, PJ; Gesell, JJ; Su, HP; Manikowski, JJ; McKay, DJ; Miller, M; Min, X; Molinaro, C; Moradei, OM; Nantermet, PG; Nadeau, C; Sanchez, RI; Satyanarayana, T; Shipe, WD; Singh, SK; Truong, VL; Vijayasaradhi, S; Wiscount, CM; Vacca, JP; Crane, SN; McCauley, JA Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group. ACS Med Chem Lett 7:702-7 (2016) [PubMed] Article
More Info.:
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|