Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50032938
Substrate
n/a
Meas. Tech.
ChEMBL_158042 (CHEMBL768266)
Ki
147000±n/a nM
Citation
 Hoog, SS; Zhao, B; Winborne, E; Fisher, S; Green, DW; DesJarlais, RL; Newlander, KA; Callahan, JF; Moore, ML; Huffman, WF A check on rational drug design: crystal structure of a complex of human immunodeficiency virus type 1 protease with a novel gamma-turn mimetic inhibitor. J Med Chem 38:3246-52 (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:
BDBM50032938
Synonyms:
2-{2-[(S)-2-(3-Benzyl-5-{1-[(1-carboxy-ethyl)-methyl-amino]-ethyl}-2-oxo-2,3,6,7-tetrahydro-azepin-1-yl)-propionylamino]-3-methyl-butyrylamino}-3-methyl-butyric acid methyl ester | CHEMBL446155
Type:
Small organic molecule
Emp. Form.:
C33H50N4O7
Mol. Mass.:
614.7727
SMILES:
COC(=O)C(NC(=O)C(NC(=O)[C@H](C)N1CCC(=CC(Cc2ccccc2)C1=O)C(C)N(C)C(C)C(O)=O)C(C)C)C(C)C |c:17|
Structure:
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