Reaction Details Report a problem with these data
Target
MDR1
Ligand
BDBM577
Substrate
n/a
Meas. Tech.
Drug Susceptibility Assay
EC50
15.6±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:
MDR1
Synonyms:
HIV-1 isolate MDR pol protein (MDR1) | POL_HV1N5 | gag-pol
Type:
Protein
Mol. Mass.:
45953.59
Organism:
Human immunodeficiency virus
Description:
P12497[489-892,L499I,T501K,N526T,R530K,M535I,I543V,D549E,I551V,L552P,I553V,V566I,V571A,L579M,V623I,D655H,K658R,R671K,Q690K,K691R,D711E,I723T,C750S,V767E,Y769C,T788A,I790V,R799K,T803I,K807E,V833E,A860P,R865K,T874A,E885R,L889I]
Residue:
404
Sequence:
PQITLWQRPIVKIKIGGQLKEALLDTGADDTVLEEMTLPGKWKPKIIGGIGGFVKVRQYEQVPVEICGHKAIGTVLIGPTPANIIGRNLMTQIGCTLNFPISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALIEICTEMEKEGKISKIGPENPYNTPVFAIKKKHSTRWRKLVDFRELNKKTQDFWEVQLGIPHPAGLKKRKSVTVLDVGDAYFSVPLDKEFRKYTAFTIPSTNNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIEICQYMDDLYVGSDLEIGQHRAKVEELRQHLLKWGFITPDEKHQKEPPFLWMGYELHPDKWTVQPIELPEKDSWTVNDIQKLVGKLNWASQIYPGIKVKQLCKLLRGAKALTEVVPLTREAEIELAE
  
Inhibitor
Name:
BDBM577
Synonyms:
(3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate | 141W94 | APV | Agenerase | Amprenavir | BDBM50215393 | CHEMBL116 | VX-478
Type:
Small organic molecule
Emp. Form.:
C25H35N3O6S
Mol. Mass.:
505.627
SMILES:
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r|
Structure:
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