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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM1040
Substrate
n/a
Meas. Tech.
ChEMBL_159454 (CHEMBL766799)
IC50
0.26±n/a nM
Citation
 Holloway, MK; Wai, JM; Halgren, TA; Fitzgerald, PM; Vacca, JP; Dorsey, BD; Levin, RB; Thompson, WJ; Chen, LJ; deSolms, SJ A priori prediction of activity for HIV-1 protease inhibitors employing energy minimization in the active site. J Med Chem 38:305-17 (1995) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM1040
Synonyms:
CHEMBL296484 | Hydroxyethylene dipeptide isostere 32 | tert-butyl N-[(2S,3S,5R)-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenyl-5-{[4-(trifluoromethyl)phenyl]methyl}pentan-2-yl]carbamate
Type:
Small organic molecule
Emp. Form.:
C34H39F3N2O5
Mol. Mass.:
612.6791
SMILES:
[H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)C(F)(F)F)[C@H](O)Cc2ccccc12 |r|
Structure:
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