Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM1080
Substrate
n/a
Meas. Tech.
ChEMBL_157733 (CHEMBL765171)
Ki
0.088±n/a nM
Citation
 De Lucca, GV; Kim, UT; Liang, J; Cordova, B; Klabe, RM; Garber, S; Bacheler, LT; Lam, GN; Wright, MR; Logue, KA; Erickson-Viitanen, S; Ko, SS; Trainor, GL Nonsymmetric P2/P2' cyclic urea HIV protease inhibitors. Structure-activity relationship, bioavailability, and resistance profile of monoindazole-substituted P2 analogues. J Med Chem 41:2411-23 (1998) [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:
BDBM1080
Synonyms:
(4R,5R,6R)-Tetrahydro-1,3-bis[(3-benzamido)methyl]-5-hydroxy-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone | 3-{[(4R,5R,6R)-4-benzyl-3-[(3-carbamoylphenyl)methyl]-5-hydroxy-2-oxo-6-(2-phenylethyl)-1,3-diazinan-1-yl]methyl}benzamide | CHEMBL284340 | Cyclic Urea | Tetrahydropyrimidinone deriv. 23
Type:
Small organic molecule
Emp. Form.:
C35H36N4O4
Mol. Mass.:
576.6847
SMILES:
NC(=O)c1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(N)=O)C2=O)c1 |r|
Structure:
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