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Target
MDRC4
Ligand
BDBM104107
Substrate
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 Biol 8:2433-41 (2013) [PubMed]  Article 
Target
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:
PQITLWQRPIVTIKIEGQLKEALLDTGADDTVLEEMNLPGKWKPKIIGGIGGFVKVRQYDQITIEICGHKAIGSVLVGPTPANIIGRNLLTQLGCTLNFPISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALIEICTEMEKEGKISKIGPENPYNTPVFVIKKKDGKWRKLIDLRELNKKTQDFWEVQLGIPHPAGLEKKKSVTVLDVGDAFYSVPLDKEFRKYTAFTIPSINNETPGIRYQYNVLPMGWKGSPAIFQSSMTKILEPFRRQNPELVIYQYMDDLYVGSDLEIEQHRTKIEELRQHLLGWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIELPEKDSWTVNDIQKLVGKLNWASQIYPGIKVKQLCRLLRGTKALTEIVPLTEEAELELAE
  
Inhibitor
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:
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