Reaction Details | |||
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Target | MDRC4 | ||
Ligand | BDBM104107 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Drug Susceptibility Assay | ||
EC50 | 15.4±0.0 nM | ||
Citation | Shen, Y; Altman, MD; Ali, A; Nalam, MN; Cao, H; Rana, TM; Schiffer, CA; Tidor, B Testing the substrate-envelope hypothesis with designed pairs of compounds. ACS Chem Biol8:2433-41 (2013) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
MDRC4 | |||
Name: | MDRC4 | ||
Synonyms: | Multi-drug-resistant control strain R268 | POL_HV1N5 | gag-pol | ||
Type: | Protein | ||
Mol. Mass.: | 45906.94 | ||
Organism: | Human immunodeficiency virus | ||
Description: | P12497[489-892,L499I,G505E,R530K,M535I,I543V,L552T,T563S,V571A,I582L,V623I,A650V,S656G,V663I,F665L,R671K,K689E,Q690K,Y703F,F704Y,D711E,Q739M,C750S,D765E,I766L,K761R,G784E,R799G,F802L,V833E,A860P,R865K,K869R,V880I] | ||
Residue: | 403 | ||
Sequence: |
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BDBM104107 | |||
n/a | |||
Name | BDBM104107 | ||
Synonyms: | (2S,3S)-2-(Acetylamino)-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2- methylpropyl)amino]-1-(phenylmethyl)propyl]-3-methyl-pentanamide (AF-68) | ||
Type | Small organic molecule | ||
Emp. Form. | C29H43N3O6S | ||
Mol. Mass. | 561.733 | ||
SMILES | CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r| | ||
Structure |