Reaction Details Report a problem with these data
Target
MDRC4
Ligand
BDBM104103
Substrate
n/a
Meas. Tech.
Drug Susceptibility Assay
EC50
165.2±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:
BDBM104103
Synonyms:
N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(cyclohexylmethyl)amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-72)
Type:
Small organic molecule
Emp. Form.:
C31H35N3O5S2
Mol. Mass.:
593.757
SMILES:
O[C@H](CN(CC1CCCCC1)S(=O)(=O)c1ccc2ncsc2c1)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1 |r|
Structure:
Search PDB for entries with ligand similarity: