Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50183628
Substrate
n/a
Meas. Tech.
ChEMBL_340965 (CHEMBL866517)
Ki
12±n/a nM
Citation
 Ekegren, JK; Ginman, N; Johansson, A; Wallberg, H; Larhed, M; Samuelsson, B; Unge, T; Hallberg, A Microwave-accelerated synthesis of P1'-extended HIV-1 protease inhibitors encompassing a tertiary alcohol in the transition-state mimicking scaffold. J Med Chem 49:1828-32 (2006) [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:
BDBM50183628
Synonyms:
CHEMBL381169 | {(1S)-1-[N'-[(2S)-2-hydroxy-2-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-N'-[3-(pyridine-3-yl)-benzyl)]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester
Type:
Small organic molecule
Emp. Form.:
C39H45N5O6
Mol. Mass.:
679.8045
SMILES:
COC(=O)N[C@H](C(=O)NN(Cc1cccc(c1)-c1cccnc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)(C)C
Structure:
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