Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50080112
Substrate
n/a
Meas. Tech.
ChEBML_157695
Ki
0.067000±n/a nM
Citation
 Kaltenbach, RF; Klabe, RM; Cordova, BC; Seitz, SP Increased antiviral activity of cyclic urea HIV protease inhibitors by modifying the P1/P1' substituents. Bioorg Med Chem Lett 9:2259-62 (1999) [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:
BDBM50080112
Synonyms:
(4R,5S,6S,7R)-1,3-Bis-(3-amino-1H-indazol-5-ylmethyl)-4,7-bis-(3,5-dimethyl-benzyl)-5,6-dihydroxy-[1,3]diazepan-2-one | CHEMBL73420
Type:
Small organic molecule
Emp. Form.:
C39H44N8O3
Mol. Mass.:
672.8185
SMILES:
Cc1cc(C)cc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(C)cc(C)c3)N(Cc3ccc4[nH]nc(N)c4c3)C(=O)N2Cc2ccc3[nH]nc(N)c3c2)c1
Structure:
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